USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 627 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 7 THR OG1 : rot -75:sc= 0.824 USER MOD Set 1.2: A 9 THR OG1 : rot -50:sc= 0.849 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.792 (180deg=0.685) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 170:sc=-0.00203 (180deg=-0.144) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.56!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0635) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0387 F(o=-0.8,f=-0.039) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.63 X(o=-1.6,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= -3.19! C(o=-3.2!,f=-5.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 55 THR OG1 : rot -74:sc= 1.14 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 0.874 USER MOD Single : A 60 ASN : amide:sc= -0.869 K(o=-0.87,f=-2) USER MOD Single : A 62 GLN : amide:sc=-0.000829 K(o=-0.00083,f=-2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 92:sc= 1.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.41 K(o=-0.41,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.321 24.801 2.743 1.00 49.53 N ATOM 2 CA MET A 1 26.233 25.762 2.995 1.00 50.07 C ATOM 3 C MET A 1 26.764 27.025 3.714 1.00 50.51 C ATOM 4 O MET A 1 27.741 26.918 4.456 1.00 49.49 O ATOM 5 CB MET A 1 25.129 25.106 3.821 1.00 49.82 C ATOM 6 CG MET A 1 24.363 24.011 3.092 1.00 49.86 C ATOM 7 SD MET A 1 23.160 23.182 4.151 1.00 49.91 S ATOM 8 CE MET A 1 22.587 21.884 3.058 1.00 49.78 C ATOM 0 H1 MET A 1 26.974 24.037 2.129 1.00 49.53 H new ATOM 0 H2 MET A 1 28.113 25.287 2.276 1.00 49.53 H new ATOM 0 H3 MET A 1 27.646 24.400 3.646 1.00 49.53 H new ATOM 0 HA MET A 1 25.820 26.068 2.034 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.570 24.684 4.724 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.425 25.875 4.139 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.849 24.443 2.233 1.00 49.86 H new ATOM 0 HG3 MET A 1 25.068 23.276 2.705 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.836 21.282 3.570 1.00 49.78 H new ATOM 0 HE2 MET A 1 22.149 22.328 2.164 1.00 49.78 H new ATOM 0 HE3 MET A 1 23.427 21.251 2.774 1.00 49.78 H new ATOM 18 N GLN A 2 26.094 28.108 3.457 1.00 49.53 N ATOM 19 CA GLN A 2 26.493 29.385 4.128 1.00 50.07 C ATOM 20 C GLN A 2 25.754 29.744 5.408 1.00 50.51 C ATOM 21 O GLN A 2 24.507 29.943 5.445 1.00 49.49 O ATOM 22 CB GLN A 2 26.355 30.547 3.141 1.00 49.82 C ATOM 23 CG GLN A 2 27.145 30.370 1.855 1.00 49.82 C ATOM 24 CD GLN A 2 26.964 31.534 0.899 1.00 50.55 C ATOM 25 OE1 GLN A 2 26.277 32.510 1.211 1.00 49.45 O ATOM 26 NE2 GLN A 2 27.577 31.435 -0.274 1.00 49.38 N ATOM 0 H GLN A 2 25.298 28.172 2.822 1.00 49.53 H new ATOM 0 HA GLN A 2 27.524 29.211 4.436 1.00 50.07 H new ATOM 0 HB2 GLN A 2 25.301 30.674 2.892 1.00 49.82 H new ATOM 0 HB3 GLN A 2 26.680 31.465 3.630 1.00 49.82 H new ATOM 0 HG2 GLN A 2 28.203 30.261 2.094 1.00 49.82 H new ATOM 0 HG3 GLN A 2 26.833 29.448 1.364 1.00 49.82 H new ATOM 0 HE21 GLN A 2 28.135 30.609 -0.490 1.00 49.38 H new ATOM 0 HE22 GLN A 2 27.490 32.185 -0.960 1.00 49.38 H new ATOM 35 N ILE A 3 26.504 29.775 6.500 1.00 49.53 N ATOM 36 CA ILE A 3 25.953 30.249 7.783 1.00 50.07 C ATOM 37 C ILE A 3 26.553 31.627 8.195 1.00 50.51 C ATOM 38 O ILE A 3 27.446 32.054 7.484 1.00 49.49 O ATOM 39 CB ILE A 3 26.205 29.235 8.913 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.707 29.063 9.152 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.560 27.897 8.581 1.00 49.73 C ATOM 42 CD1 ILE A 3 28.041 28.245 10.378 1.00 49.73 C ATOM 0 H ILE A 3 27.481 29.485 6.535 1.00 49.53 H new ATOM 0 HA ILE A 3 24.879 30.361 7.633 1.00 50.07 H new ATOM 0 HB ILE A 3 25.752 29.617 9.828 1.00 49.91 H new ATOM 0 HG12 ILE A 3 28.152 28.588 8.278 1.00 49.82 H new ATOM 0 HG13 ILE A 3 28.165 30.047 9.248 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.748 27.192 9.391 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.485 28.031 8.459 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.984 27.508 7.655 1.00 49.73 H new ATOM 0 HD11 ILE A 3 29.123 28.168 10.480 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.627 28.729 11.262 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.614 27.247 10.277 1.00 49.73 H new ATOM 54 N PHE A 4 25.972 32.159 9.244 1.00 49.53 N ATOM 55 CA PHE A 4 26.495 33.493 9.725 1.00 50.07 C ATOM 56 C PHE A 4 27.137 33.474 11.083 1.00 50.51 C ATOM 57 O PHE A 4 26.647 32.690 11.909 1.00 49.49 O ATOM 58 CB PHE A 4 25.367 34.528 9.711 1.00 49.82 C ATOM 59 CG PHE A 4 24.853 34.846 8.336 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.441 35.843 7.573 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.780 34.148 7.802 1.00 49.88 C ATOM 62 CE1 PHE A 4 24.969 36.138 6.309 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.306 34.440 6.537 1.00 49.88 C ATOM 64 CZ PHE A 4 23.900 35.434 5.791 1.00 49.88 C ATOM 0 H PHE A 4 25.196 31.758 9.771 1.00 49.53 H new ATOM 0 HA PHE A 4 27.289 33.758 9.027 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.542 34.161 10.321 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.724 35.447 10.177 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.279 36.396 7.972 1.00 49.88 H new ATOM 0 HD2 PHE A 4 23.309 33.367 8.381 1.00 49.88 H new ATOM 0 HE1 PHE A 4 25.436 36.919 5.726 1.00 49.88 H new ATOM 0 HE2 PHE A 4 22.470 33.889 6.133 1.00 49.88 H new ATOM 0 HZ PHE A 4 23.530 35.662 4.802 1.00 49.88 H new ATOM 74 N VAL A 5 28.138 34.299 11.376 1.00 49.53 N ATOM 75 CA VAL A 5 28.716 34.364 12.703 1.00 50.07 C ATOM 76 C VAL A 5 28.577 35.827 13.189 1.00 50.51 C ATOM 77 O VAL A 5 29.620 36.483 13.080 1.00 49.49 O ATOM 78 CB VAL A 5 30.199 33.952 12.711 1.00 49.91 C ATOM 79 CG1 VAL A 5 30.775 34.059 14.115 1.00 49.73 C ATOM 80 CG2 VAL A 5 30.362 32.536 12.178 1.00 49.73 C ATOM 0 H VAL A 5 28.565 34.935 10.702 1.00 49.53 H new ATOM 0 HA VAL A 5 28.194 33.668 13.359 1.00 50.07 H new ATOM 0 HB VAL A 5 30.748 34.632 12.060 1.00 49.91 H new ATOM 0 HG11 VAL A 5 31.824 33.764 14.101 1.00 49.73 H new ATOM 0 HG12 VAL A 5 30.692 35.088 14.465 1.00 49.73 H new ATOM 0 HG13 VAL A 5 30.222 33.402 14.786 1.00 49.73 H new ATOM 0 HG21 VAL A 5 31.417 32.262 12.191 1.00 49.73 H new ATOM 0 HG22 VAL A 5 29.799 31.844 12.805 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.987 32.487 11.156 1.00 49.73 H new ATOM 90 N LYS A 6 27.416 36.201 13.605 1.00 49.53 N ATOM 91 CA LYS A 6 27.189 37.619 14.054 1.00 50.07 C ATOM 92 C LYS A 6 27.894 37.691 15.381 1.00 50.51 C ATOM 93 O LYS A 6 27.651 36.844 16.272 1.00 49.49 O ATOM 94 CB LYS A 6 25.699 37.933 14.194 1.00 49.82 C ATOM 95 CG LYS A 6 25.375 39.419 14.279 1.00 49.82 C ATOM 96 CD LYS A 6 23.971 39.648 14.820 1.00 49.82 C ATOM 97 CE LYS A 6 22.914 39.251 13.801 1.00 50.21 C ATOM 98 NZ LYS A 6 21.538 39.555 14.280 1.00 49.70 N ATOM 0 H LYS A 6 26.598 35.595 13.660 1.00 49.53 H new ATOM 0 HA LYS A 6 27.565 38.350 13.338 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.168 37.506 13.343 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.318 37.439 15.088 1.00 49.82 H new ATOM 0 HG2 LYS A 6 26.101 39.916 14.923 1.00 49.82 H new ATOM 0 HG3 LYS A 6 25.465 39.870 13.291 1.00 49.82 H new ATOM 0 HD2 LYS A 6 23.833 39.071 15.734 1.00 49.82 H new ATOM 0 HD3 LYS A 6 23.848 40.698 15.084 1.00 49.82 H new ATOM 0 HE2 LYS A 6 23.097 39.778 12.864 1.00 50.21 H new ATOM 0 HE3 LYS A 6 22.997 38.185 13.589 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 20.848 39.269 13.557 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 21.353 39.033 15.160 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 21.450 40.576 14.458 1.00 49.70 H new ATOM 112 N THR A 7 28.773 38.701 15.561 1.00 49.53 N ATOM 113 CA THR A 7 29.497 38.834 16.834 1.00 50.07 C ATOM 114 C THR A 7 28.762 39.881 17.676 1.00 50.51 C ATOM 115 O THR A 7 27.852 40.516 17.138 1.00 49.49 O ATOM 116 CB THR A 7 30.959 39.268 16.626 1.00 50.14 C ATOM 117 OG1 THR A 7 31.000 40.642 16.220 1.00 49.34 O ATOM 118 CG2 THR A 7 31.623 38.409 15.560 1.00 49.73 C ATOM 0 H THR A 7 28.991 39.412 14.863 1.00 49.53 H new ATOM 0 HA THR A 7 29.522 37.865 17.333 1.00 50.07 H new ATOM 0 HB THR A 7 31.496 39.144 17.566 1.00 50.14 H new ATOM 0 HG1 THR A 7 30.728 40.714 15.281 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.656 38.730 15.426 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.605 37.364 15.871 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.084 38.517 14.618 1.00 49.73 H new ATOM 126 N LEU A 8 29.187 40.097 18.902 1.00 49.53 N ATOM 127 CA LEU A 8 28.501 41.060 19.791 1.00 50.07 C ATOM 128 C LEU A 8 29.224 42.378 19.592 1.00 50.51 C ATOM 129 O LEU A 8 29.245 43.213 20.516 1.00 49.49 O ATOM 130 CB LEU A 8 28.565 40.603 21.254 1.00 49.82 C ATOM 131 CG LEU A 8 28.022 39.194 21.520 1.00 49.91 C ATOM 132 CD1 LEU A 8 28.034 38.904 23.015 1.00 49.73 C ATOM 133 CD2 LEU A 8 26.613 39.076 20.961 1.00 49.73 C ATOM 0 H LEU A 8 29.994 39.633 19.319 1.00 49.53 H new ATOM 0 HA LEU A 8 27.441 41.146 19.552 1.00 50.07 H new ATOM 0 HB2 LEU A 8 29.602 40.644 21.586 1.00 49.82 H new ATOM 0 HB3 LEU A 8 28.006 41.312 21.865 1.00 49.82 H new ATOM 0 HG LEU A 8 28.658 38.461 21.024 1.00 49.91 H new ATOM 0 HD11 LEU A 8 27.647 37.901 23.194 1.00 49.73 H new ATOM 0 HD12 LEU A 8 29.055 38.971 23.390 1.00 49.73 H new ATOM 0 HD13 LEU A 8 27.409 39.632 23.532 1.00 49.73 H new ATOM 0 HD21 LEU A 8 26.229 38.074 21.151 1.00 49.73 H new ATOM 0 HD22 LEU A 8 25.967 39.810 21.444 1.00 49.73 H new ATOM 0 HD23 LEU A 8 26.631 39.260 19.887 1.00 49.73 H new ATOM 145 N THR A 9 29.796 42.604 18.394 1.00 49.53 N ATOM 146 CA THR A 9 30.498 43.923 18.245 1.00 50.07 C ATOM 147 C THR A 9 29.999 44.653 17.036 1.00 50.51 C ATOM 148 O THR A 9 30.272 45.852 16.835 1.00 49.49 O ATOM 149 CB THR A 9 32.024 43.744 18.135 1.00 50.14 C ATOM 150 OG1 THR A 9 32.339 43.046 16.923 1.00 49.34 O ATOM 151 CG2 THR A 9 32.556 42.957 19.322 1.00 49.73 C ATOM 0 H THR A 9 29.801 41.979 17.588 1.00 49.53 H new ATOM 0 HA THR A 9 30.280 44.506 19.140 1.00 50.07 H new ATOM 0 HB THR A 9 32.491 44.729 18.127 1.00 50.14 H new ATOM 0 HG1 THR A 9 31.791 42.236 16.860 1.00 49.34 H new ATOM 0 HG21 THR A 9 33.636 42.841 19.227 1.00 49.73 H new ATOM 0 HG22 THR A 9 32.328 43.491 20.244 1.00 49.73 H new ATOM 0 HG23 THR A 9 32.086 41.974 19.347 1.00 49.73 H new ATOM 159 N GLY A 10 29.264 44.000 16.191 1.00 49.53 N ATOM 160 CA GLY A 10 28.712 44.578 14.986 1.00 49.98 C ATOM 161 C GLY A 10 29.169 44.060 13.655 1.00 50.51 C ATOM 162 O GLY A 10 28.494 44.281 12.625 1.00 49.49 O ATOM 0 H GLY A 10 29.019 43.018 16.317 1.00 49.53 H new ATOM 0 HA2 GLY A 10 27.629 44.460 15.031 1.00 49.98 H new ATOM 0 HA3 GLY A 10 28.917 45.648 15.011 1.00 49.98 H new ATOM 166 N LYS A 11 30.256 43.333 13.658 1.00 49.53 N ATOM 167 CA LYS A 11 30.761 42.674 12.460 1.00 50.07 C ATOM 168 C LYS A 11 30.081 41.323 12.139 1.00 50.51 C ATOM 169 O LYS A 11 29.923 40.546 13.074 1.00 49.49 O ATOM 170 CB LYS A 11 32.272 42.470 12.574 1.00 49.82 C ATOM 171 CG LYS A 11 33.079 43.760 12.623 1.00 49.82 C ATOM 172 CD LYS A 11 34.571 43.485 12.500 1.00 49.82 C ATOM 173 CE LYS A 11 35.374 44.778 12.491 1.00 50.21 C ATOM 174 NZ LYS A 11 35.229 45.532 13.766 1.00 49.70 N ATOM 0 H LYS A 11 30.825 43.175 14.490 1.00 49.53 H new ATOM 0 HA LYS A 11 30.518 43.341 11.633 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.481 41.891 13.473 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.611 41.876 11.726 1.00 49.82 H new ATOM 0 HG2 LYS A 11 32.761 44.421 11.816 1.00 49.82 H new ATOM 0 HG3 LYS A 11 32.879 44.281 13.559 1.00 49.82 H new ATOM 0 HD2 LYS A 11 34.897 42.858 13.330 1.00 49.82 H new ATOM 0 HD3 LYS A 11 34.766 42.927 11.584 1.00 49.82 H new ATOM 0 HE2 LYS A 11 36.426 44.550 12.322 1.00 50.21 H new ATOM 0 HE3 LYS A 11 35.046 45.403 11.661 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 35.916 46.312 13.788 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 34.265 45.918 13.834 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 35.404 44.894 14.568 1.00 49.70 H new ATOM 188 N THR A 12 29.774 41.107 10.874 1.00 49.53 N ATOM 189 CA THR A 12 29.203 39.793 10.522 1.00 50.07 C ATOM 190 C THR A 12 30.058 39.018 9.521 1.00 50.51 C ATOM 191 O THR A 12 30.327 39.598 8.467 1.00 49.49 O ATOM 192 CB THR A 12 27.781 39.937 9.949 1.00 50.14 C ATOM 193 OG1 THR A 12 26.900 40.429 10.969 1.00 49.34 O ATOM 194 CG2 THR A 12 27.269 38.596 9.447 1.00 49.73 C ATOM 0 H THR A 12 29.894 41.768 10.106 1.00 49.53 H new ATOM 0 HA THR A 12 29.175 39.229 11.454 1.00 50.07 H new ATOM 0 HB THR A 12 27.811 40.638 9.115 1.00 50.14 H new ATOM 0 HG1 THR A 12 25.996 40.522 10.603 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.263 38.718 9.046 1.00 49.73 H new ATOM 0 HG22 THR A 12 27.930 38.224 8.664 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.247 37.883 10.271 1.00 49.73 H new ATOM 202 N ILE A 13 30.384 37.773 9.868 1.00 49.53 N ATOM 203 CA ILE A 13 31.215 37.032 8.874 1.00 50.07 C ATOM 204 C ILE A 13 30.613 35.740 8.396 1.00 50.51 C ATOM 205 O ILE A 13 30.195 34.906 9.223 1.00 49.49 O ATOM 206 CB ILE A 13 32.618 36.739 9.435 1.00 49.91 C ATOM 207 CG1 ILE A 13 33.349 35.731 8.546 1.00 49.82 C ATOM 208 CG2 ILE A 13 32.522 36.223 10.863 1.00 49.73 C ATOM 209 CD1 ILE A 13 34.715 35.340 9.062 1.00 49.73 C ATOM 0 H ILE A 13 30.129 37.284 10.726 1.00 49.53 H new ATOM 0 HA ILE A 13 31.270 37.700 8.014 1.00 50.07 H new ATOM 0 HB ILE A 13 33.189 37.667 9.443 1.00 49.91 H new ATOM 0 HG12 ILE A 13 32.737 34.834 8.450 1.00 49.82 H new ATOM 0 HG13 ILE A 13 33.455 36.153 7.546 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.523 36.021 11.245 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.039 36.973 11.489 1.00 49.73 H new ATOM 0 HG23 ILE A 13 31.935 35.305 10.879 1.00 49.73 H new ATOM 0 HD11 ILE A 13 35.171 34.623 8.379 1.00 49.73 H new ATOM 0 HD12 ILE A 13 35.345 36.227 9.131 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.615 34.888 10.049 1.00 49.73 H new ATOM 221 N THR A 14 30.463 35.572 7.101 1.00 49.53 N ATOM 222 CA THR A 14 29.904 34.265 6.641 1.00 50.07 C ATOM 223 C THR A 14 30.964 33.195 6.592 1.00 50.51 C ATOM 224 O THR A 14 32.127 33.472 6.199 1.00 49.49 O ATOM 225 CB THR A 14 29.254 34.390 5.250 1.00 50.14 C ATOM 226 OG1 THR A 14 30.220 34.876 4.310 1.00 49.34 O ATOM 227 CG2 THR A 14 28.072 35.345 5.298 1.00 49.73 C ATOM 0 H THR A 14 30.692 36.250 6.375 1.00 49.53 H new ATOM 0 HA THR A 14 29.144 33.980 7.369 1.00 50.07 H new ATOM 0 HB THR A 14 28.900 33.406 4.941 1.00 50.14 H new ATOM 0 HG1 THR A 14 29.805 34.953 3.425 1.00 49.34 H new ATOM 0 HG21 THR A 14 27.625 35.421 4.307 1.00 49.73 H new ATOM 0 HG22 THR A 14 27.330 34.970 6.003 1.00 49.73 H new ATOM 0 HG23 THR A 14 28.412 36.329 5.619 1.00 49.73 H new ATOM 235 N LEU A 15 30.614 31.950 6.874 1.00 49.53 N ATOM 236 CA LEU A 15 31.566 30.860 6.869 1.00 50.07 C ATOM 237 C LEU A 15 30.973 29.648 6.139 1.00 50.51 C ATOM 238 O LEU A 15 29.798 29.410 6.383 1.00 49.49 O ATOM 239 CB LEU A 15 31.959 30.486 8.303 1.00 49.82 C ATOM 240 CG LEU A 15 33.233 29.641 8.433 1.00 49.91 C ATOM 241 CD1 LEU A 15 34.463 30.518 8.237 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.261 28.970 9.798 1.00 49.73 C ATOM 0 H LEU A 15 29.662 31.671 7.112 1.00 49.53 H new ATOM 0 HA LEU A 15 32.464 31.180 6.341 1.00 50.07 H new ATOM 0 HB2 LEU A 15 32.091 31.403 8.877 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.133 29.940 8.758 1.00 49.82 H new ATOM 0 HG LEU A 15 33.238 28.869 7.663 1.00 49.91 H new ATOM 0 HD11 LEU A 15 35.362 29.910 8.331 1.00 49.73 H new ATOM 0 HD12 LEU A 15 34.433 30.971 7.246 1.00 49.73 H new ATOM 0 HD13 LEU A 15 34.475 31.302 8.994 1.00 49.73 H new ATOM 0 HD21 LEU A 15 34.166 28.370 9.890 1.00 49.73 H new ATOM 0 HD22 LEU A 15 33.250 29.731 10.578 1.00 49.73 H new ATOM 0 HD23 LEU A 15 32.387 28.327 9.906 1.00 49.73 H new ATOM 254 N GLU A 16 31.793 29.032 5.321 1.00 49.53 N ATOM 255 CA GLU A 16 31.306 27.762 4.691 1.00 50.07 C ATOM 256 C GLU A 16 31.465 26.579 5.621 1.00 50.51 C ATOM 257 O GLU A 16 32.506 26.459 6.263 1.00 49.49 O ATOM 258 CB GLU A 16 32.046 27.500 3.378 1.00 49.82 C ATOM 259 CG GLU A 16 31.622 28.401 2.226 1.00 49.72 C ATOM 260 CD GLU A 16 32.500 28.198 1.022 1.00 50.62 C ATOM 261 OE1 GLU A 16 33.684 28.415 1.132 1.00 49.24 O ATOM 262 OE2 GLU A 16 32.010 27.721 0.027 1.00 49.24 O ATOM 0 H GLU A 16 32.734 29.334 5.070 1.00 49.53 H new ATOM 0 HA GLU A 16 30.243 27.885 4.485 1.00 50.07 H new ATOM 0 HB2 GLU A 16 33.116 27.626 3.547 1.00 49.82 H new ATOM 0 HB3 GLU A 16 31.889 26.461 3.088 1.00 49.82 H new ATOM 0 HG2 GLU A 16 30.585 28.193 1.962 1.00 49.72 H new ATOM 0 HG3 GLU A 16 31.668 29.444 2.541 1.00 49.72 H new ATOM 269 N VAL A 17 30.366 25.845 5.714 1.00 49.53 N ATOM 270 CA VAL A 17 30.285 24.682 6.590 1.00 50.07 C ATOM 271 C VAL A 17 29.335 23.623 6.012 1.00 50.51 C ATOM 272 O VAL A 17 28.306 23.939 5.372 1.00 49.49 O ATOM 273 CB VAL A 17 29.809 25.070 8.003 1.00 49.91 C ATOM 274 CG1 VAL A 17 28.318 25.374 7.998 1.00 49.73 C ATOM 275 CG2 VAL A 17 30.121 23.958 8.994 1.00 49.73 C ATOM 0 H VAL A 17 29.512 26.035 5.190 1.00 49.53 H new ATOM 0 HA VAL A 17 31.291 24.267 6.659 1.00 50.07 H new ATOM 0 HB VAL A 17 30.344 25.968 8.312 1.00 49.91 H new ATOM 0 HG11 VAL A 17 27.999 25.646 9.004 1.00 49.73 H new ATOM 0 HG12 VAL A 17 28.118 26.201 7.317 1.00 49.73 H new ATOM 0 HG13 VAL A 17 27.768 24.492 7.669 1.00 49.73 H new ATOM 0 HG21 VAL A 17 29.778 24.249 9.987 1.00 49.73 H new ATOM 0 HG22 VAL A 17 29.612 23.044 8.688 1.00 49.73 H new ATOM 0 HG23 VAL A 17 31.197 23.784 9.018 1.00 49.73 H new ATOM 285 N GLU A 18 29.868 22.421 6.019 1.00 49.53 N ATOM 286 CA GLU A 18 29.141 21.210 5.631 1.00 50.07 C ATOM 287 C GLU A 18 28.458 20.649 6.869 1.00 50.51 C ATOM 288 O GLU A 18 28.952 20.775 7.979 1.00 49.49 O ATOM 289 CB GLU A 18 30.090 20.175 5.023 1.00 49.82 C ATOM 290 CG GLU A 18 30.804 20.641 3.762 1.00 49.72 C ATOM 291 CD GLU A 18 31.486 19.496 3.066 1.00 50.62 C ATOM 292 OE1 GLU A 18 31.423 18.400 3.566 1.00 49.24 O ATOM 293 OE2 GLU A 18 31.975 19.695 1.979 1.00 49.24 O ATOM 0 H GLU A 18 30.833 22.244 6.297 1.00 49.53 H new ATOM 0 HA GLU A 18 28.397 21.453 4.872 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.837 19.902 5.769 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.524 19.272 4.793 1.00 49.82 H new ATOM 0 HG2 GLU A 18 30.086 21.105 3.086 1.00 49.72 H new ATOM 0 HG3 GLU A 18 31.539 21.404 4.019 1.00 49.72 H new ATOM 300 N PRO A 19 27.299 20.043 6.690 1.00 49.71 N ATOM 301 CA PRO A 19 26.559 19.416 7.785 1.00 50.02 C ATOM 302 C PRO A 19 27.398 18.405 8.527 1.00 50.51 C ATOM 303 O PRO A 19 27.131 18.069 9.689 1.00 49.49 O ATOM 304 CB PRO A 19 25.366 18.736 7.078 1.00 49.82 C ATOM 305 CG PRO A 19 25.153 19.603 5.880 1.00 49.82 C ATOM 306 CD PRO A 19 26.595 19.889 5.391 1.00 50.00 C ATOM 0 HA PRO A 19 26.252 20.138 8.542 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.595 17.708 6.798 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.483 18.704 7.716 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.562 19.097 5.117 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.625 20.521 6.136 1.00 49.82 H new ATOM 0 HD2 PRO A 19 27.000 19.071 4.795 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.654 20.789 4.779 1.00 50.00 H new ATOM 314 N SER A 20 28.404 17.858 7.866 1.00 49.53 N ATOM 315 CA SER A 20 29.239 16.824 8.497 1.00 50.07 C ATOM 316 C SER A 20 30.343 17.394 9.355 1.00 50.51 C ATOM 317 O SER A 20 31.231 16.622 9.758 1.00 49.49 O ATOM 318 CB SER A 20 29.825 15.917 7.434 1.00 50.05 C ATOM 319 OG SER A 20 28.834 15.196 6.753 1.00 49.34 O ATOM 0 H SER A 20 28.667 18.100 6.911 1.00 49.53 H new ATOM 0 HA SER A 20 28.589 16.255 9.161 1.00 50.07 H new ATOM 0 HB2 SER A 20 30.393 16.514 6.721 1.00 50.05 H new ATOM 0 HB3 SER A 20 30.525 15.222 7.897 1.00 50.05 H new ATOM 0 HG SER A 20 29.252 14.625 6.075 1.00 49.34 H new ATOM 325 N ASP A 21 30.367 18.721 9.503 1.00 49.53 N ATOM 326 CA ASP A 21 31.461 19.299 10.326 1.00 50.07 C ATOM 327 C ASP A 21 30.998 19.394 11.757 1.00 50.51 C ATOM 328 O ASP A 21 29.915 19.941 12.043 1.00 49.49 O ATOM 329 CB ASP A 21 31.868 20.678 9.802 1.00 49.72 C ATOM 330 CG ASP A 21 32.536 20.659 8.433 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.438 19.878 8.245 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.039 21.308 7.544 1.00 49.24 O ATOM 0 H ASP A 21 29.702 19.383 9.103 1.00 49.53 H new ATOM 0 HA ASP A 21 32.336 18.652 10.266 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.981 21.310 9.751 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.548 21.139 10.518 1.00 49.72 H new ATOM 337 N THR A 22 31.758 18.783 12.650 1.00 49.53 N ATOM 338 CA THR A 22 31.498 18.859 14.069 1.00 50.07 C ATOM 339 C THR A 22 31.738 20.318 14.523 1.00 50.51 C ATOM 340 O THR A 22 32.584 21.006 13.945 1.00 49.49 O ATOM 341 CB THR A 22 32.405 17.910 14.874 1.00 50.14 C ATOM 342 OG1 THR A 22 33.758 18.382 14.824 1.00 49.34 O ATOM 343 CG2 THR A 22 32.342 16.502 14.306 1.00 49.73 C ATOM 0 H THR A 22 32.573 18.220 12.406 1.00 49.53 H new ATOM 0 HA THR A 22 30.468 18.553 14.254 1.00 50.07 H new ATOM 0 HB THR A 22 32.058 17.889 15.907 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.334 17.778 15.338 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.989 15.846 14.888 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.316 16.136 14.354 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.675 16.513 13.268 1.00 49.73 H new ATOM 351 N ILE A 23 30.988 20.673 15.567 1.00 49.53 N ATOM 352 CA ILE A 23 31.144 21.984 16.191 1.00 50.07 C ATOM 353 C ILE A 23 32.547 22.373 16.663 1.00 50.51 C ATOM 354 O ILE A 23 32.871 23.556 16.868 1.00 49.49 O ATOM 355 CB ILE A 23 30.184 22.130 17.386 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.749 21.810 16.960 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.270 23.532 17.969 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.294 22.565 15.732 1.00 49.73 C ATOM 0 H ILE A 23 30.276 20.079 15.993 1.00 49.53 H new ATOM 0 HA ILE A 23 30.912 22.667 15.374 1.00 50.07 H new ATOM 0 HB ILE A 23 30.480 21.419 18.158 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.667 20.740 16.768 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.075 22.038 17.786 1.00 49.82 H new ATOM 0 HG21 ILE A 23 29.585 23.618 18.813 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.288 23.724 18.307 1.00 49.73 H new ATOM 0 HG23 ILE A 23 29.998 24.261 17.205 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.268 22.285 15.492 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.342 23.637 15.925 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.943 22.318 14.892 1.00 49.73 H new ATOM 370 N GLU A 24 33.399 21.390 16.830 1.00 49.53 N ATOM 371 CA GLU A 24 34.819 21.676 17.225 1.00 50.07 C ATOM 372 C GLU A 24 35.646 22.141 16.052 1.00 50.51 C ATOM 373 O GLU A 24 36.534 23.017 16.188 1.00 49.49 O ATOM 374 CB GLU A 24 35.457 20.437 17.856 1.00 49.82 C ATOM 375 CG GLU A 24 36.875 20.651 18.367 1.00 49.72 C ATOM 376 CD GLU A 24 36.906 21.646 19.493 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.113 21.519 20.395 1.00 49.24 O ATOM 378 OE2 GLU A 24 37.793 22.467 19.511 1.00 49.24 O ATOM 0 H GLU A 24 33.175 20.402 16.710 1.00 49.53 H new ATOM 0 HA GLU A 24 34.796 22.483 17.957 1.00 50.07 H new ATOM 0 HB2 GLU A 24 34.832 20.103 18.684 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.467 19.633 17.120 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.288 19.701 18.707 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.508 21.001 17.552 1.00 49.72 H new ATOM 385 N ASN A 25 35.413 21.550 14.892 1.00 49.53 N ATOM 386 CA ASN A 25 36.124 21.864 13.645 1.00 50.07 C ATOM 387 C ASN A 25 35.732 23.256 13.151 1.00 50.51 C ATOM 388 O ASN A 25 36.590 24.034 12.685 1.00 49.49 O ATOM 389 CB ASN A 25 35.855 20.826 12.572 1.00 49.82 C ATOM 390 CG ASN A 25 36.853 20.843 11.448 1.00 50.55 C ATOM 391 OD1 ASN A 25 37.395 21.895 11.089 1.00 49.45 O ATOM 392 ND2 ASN A 25 37.039 19.701 10.840 1.00 49.38 N ATOM 0 H ASN A 25 34.709 20.820 14.779 1.00 49.53 H new ATOM 0 HA ASN A 25 37.193 21.849 13.857 1.00 50.07 H new ATOM 0 HB2 ASN A 25 35.853 19.836 13.029 1.00 49.82 H new ATOM 0 HB3 ASN A 25 34.858 20.990 12.163 1.00 49.82 H new ATOM 0 HD21 ASN A 25 37.656 19.649 10.029 1.00 49.38 H new ATOM 0 HD22 ASN A 25 36.568 18.861 11.177 1.00 49.38 H new ATOM 399 N VAL A 26 34.437 23.522 13.252 1.00 49.53 N ATOM 400 CA VAL A 26 33.913 24.823 12.849 1.00 50.07 C ATOM 401 C VAL A 26 34.575 25.914 13.684 1.00 50.51 C ATOM 402 O VAL A 26 35.068 26.917 13.154 1.00 49.49 O ATOM 403 CB VAL A 26 32.385 24.902 13.023 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.895 26.324 12.790 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.690 23.939 12.073 1.00 49.73 C ATOM 0 H VAL A 26 33.738 22.867 13.603 1.00 49.53 H new ATOM 0 HA VAL A 26 34.138 24.964 11.792 1.00 50.07 H new ATOM 0 HB VAL A 26 32.140 24.615 14.046 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.813 26.361 12.917 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.368 26.994 13.508 1.00 49.73 H new ATOM 0 HG13 VAL A 26 32.153 26.636 11.778 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.611 24.008 12.210 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.943 24.197 11.044 1.00 49.73 H new ATOM 0 HG23 VAL A 26 32.018 22.921 12.283 1.00 49.73 H new ATOM 415 N LYS A 27 34.593 25.709 14.995 1.00 49.53 N ATOM 416 CA LYS A 27 35.199 26.692 15.905 1.00 50.07 C ATOM 417 C LYS A 27 36.630 26.904 15.437 1.00 50.51 C ATOM 418 O LYS A 27 37.134 28.052 15.527 1.00 49.49 O ATOM 419 CB LYS A 27 35.166 26.198 17.352 1.00 49.82 C ATOM 420 CG LYS A 27 33.833 26.410 18.058 1.00 49.82 C ATOM 421 CD LYS A 27 33.877 25.896 19.489 1.00 49.82 C ATOM 422 CE LYS A 27 32.540 26.089 20.189 1.00 50.21 C ATOM 423 NZ LYS A 27 32.561 25.566 21.583 1.00 49.70 N ATOM 0 H LYS A 27 34.203 24.886 15.454 1.00 49.53 H new ATOM 0 HA LYS A 27 34.641 27.628 15.884 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.406 25.135 17.366 1.00 49.82 H new ATOM 0 HB3 LYS A 27 35.947 26.708 17.915 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.584 27.471 18.058 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.043 25.897 17.509 1.00 49.82 H new ATOM 0 HD2 LYS A 27 34.140 24.838 19.489 1.00 49.82 H new ATOM 0 HD3 LYS A 27 34.658 26.419 20.041 1.00 49.82 H new ATOM 0 HE2 LYS A 27 32.288 27.149 20.203 1.00 50.21 H new ATOM 0 HE3 LYS A 27 31.758 25.583 19.623 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 31.632 25.717 22.024 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 32.777 24.549 21.569 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 33.290 26.067 22.131 1.00 49.70 H new ATOM 437 N ALA A 28 37.289 25.863 14.974 1.00 49.53 N ATOM 438 CA ALA A 28 38.651 25.977 14.437 1.00 50.07 C ATOM 439 C ALA A 28 38.737 26.624 13.067 1.00 50.51 C ATOM 440 O ALA A 28 39.848 27.086 12.637 1.00 49.49 O ATOM 441 CB ALA A 28 39.316 24.588 14.402 1.00 49.73 C ATOM 0 H ALA A 28 36.910 24.916 14.954 1.00 49.53 H new ATOM 0 HA ALA A 28 39.182 26.646 15.114 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.326 24.678 14.003 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.360 24.180 15.412 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.733 23.921 13.767 1.00 49.73 H new ATOM 447 N LYS A 29 37.638 26.728 12.333 1.00 49.53 N ATOM 448 CA LYS A 29 37.638 27.424 11.030 1.00 50.07 C ATOM 449 C LYS A 29 37.676 28.912 11.429 1.00 50.51 C ATOM 450 O LYS A 29 38.374 29.762 10.826 1.00 49.49 O ATOM 451 CB LYS A 29 36.388 27.094 10.214 1.00 49.82 C ATOM 452 CG LYS A 29 36.430 25.740 9.518 1.00 49.82 C ATOM 453 CD LYS A 29 35.070 25.370 8.946 1.00 49.82 C ATOM 454 CE LYS A 29 35.090 23.981 8.324 1.00 50.21 C ATOM 455 NZ LYS A 29 35.975 23.918 7.129 1.00 49.70 N ATOM 0 H LYS A 29 36.733 26.345 12.606 1.00 49.53 H new ATOM 0 HA LYS A 29 38.472 27.131 10.392 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.520 27.123 10.873 1.00 49.82 H new ATOM 0 HB3 LYS A 29 36.244 27.871 9.463 1.00 49.82 H new ATOM 0 HG2 LYS A 29 37.169 25.763 8.718 1.00 49.82 H new ATOM 0 HG3 LYS A 29 36.750 24.975 10.225 1.00 49.82 H new ATOM 0 HD2 LYS A 29 34.319 25.406 9.735 1.00 49.82 H new ATOM 0 HD3 LYS A 29 34.778 26.103 8.194 1.00 49.82 H new ATOM 0 HE2 LYS A 29 35.429 23.257 9.065 1.00 50.21 H new ATOM 0 HE3 LYS A 29 34.077 23.696 8.040 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 35.857 22.999 6.657 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 35.722 24.681 6.469 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 36.966 24.030 7.424 1.00 49.70 H new ATOM 469 N ILE A 30 36.966 29.235 12.510 1.00 49.53 N ATOM 470 CA ILE A 30 36.943 30.636 12.971 1.00 50.07 C ATOM 471 C ILE A 30 38.389 30.934 13.393 1.00 50.51 C ATOM 472 O ILE A 30 38.839 32.097 13.277 1.00 49.49 O ATOM 473 CB ILE A 30 35.989 30.847 14.161 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.532 30.761 13.698 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.260 32.186 14.829 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.527 30.849 14.825 1.00 49.73 C ATOM 0 H ILE A 30 36.418 28.581 13.068 1.00 49.53 H new ATOM 0 HA ILE A 30 36.582 31.298 12.184 1.00 50.07 H new ATOM 0 HB ILE A 30 36.166 30.058 14.892 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.338 31.565 12.987 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.385 29.822 13.165 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.577 32.319 15.668 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.288 32.211 15.191 1.00 49.73 H new ATOM 0 HG23 ILE A 30 36.110 32.989 14.108 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.518 30.781 14.419 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.693 30.030 15.525 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.645 31.800 15.345 1.00 49.73 H new ATOM 488 N GLN A 31 39.070 29.993 13.996 1.00 49.53 N ATOM 489 CA GLN A 31 40.483 30.282 14.394 1.00 50.07 C ATOM 490 C GLN A 31 41.286 30.855 13.216 1.00 50.51 C ATOM 491 O GLN A 31 42.021 31.869 13.257 1.00 49.49 O ATOM 492 CB GLN A 31 41.163 29.013 14.915 1.00 49.82 C ATOM 493 CG GLN A 31 42.649 29.170 15.189 1.00 49.82 C ATOM 494 CD GLN A 31 43.296 27.873 15.635 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.559 27.759 16.932 1.00 49.45 O flip ATOM 496 NE2 GLN A 31 43.552 26.980 14.823 1.00 49.38 N flip ATOM 0 H GLN A 31 38.723 29.062 14.226 1.00 49.53 H new ATOM 0 HA GLN A 31 40.457 31.027 15.189 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.667 28.699 15.833 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.022 28.214 14.187 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.146 29.529 14.288 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.796 29.929 15.958 1.00 49.82 H new ATOM 0 HE21 GLN A 31 43.333 27.110 13.835 1.00 49.38 H new ATOM 0 HE22 GLN A 31 43.983 26.111 15.139 1.00 49.38 H new ATOM 505 N ASP A 32 41.182 30.148 12.115 1.00 49.53 N ATOM 506 CA ASP A 32 41.880 30.573 10.880 1.00 50.07 C ATOM 507 C ASP A 32 41.429 31.929 10.380 1.00 50.51 C ATOM 508 O ASP A 32 42.223 32.805 9.966 1.00 49.49 O ATOM 509 CB ASP A 32 41.689 29.527 9.778 1.00 49.72 C ATOM 510 CG ASP A 32 42.616 28.324 9.887 1.00 50.62 C ATOM 511 OD1 ASP A 32 43.540 28.378 10.663 1.00 49.24 O ATOM 512 OD2 ASP A 32 42.306 27.307 9.314 1.00 49.24 O ATOM 0 H ASP A 32 40.637 29.290 12.028 1.00 49.53 H new ATOM 0 HA ASP A 32 42.936 30.661 11.135 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.657 29.178 9.800 1.00 49.72 H new ATOM 0 HB3 ASP A 32 41.844 30.004 8.810 1.00 49.72 H new ATOM 517 N LYS A 33 40.107 32.175 10.367 1.00 49.53 N ATOM 518 CA LYS A 33 39.679 33.474 9.779 1.00 50.07 C ATOM 519 C LYS A 33 39.765 34.662 10.670 1.00 50.51 C ATOM 520 O LYS A 33 40.197 35.745 10.146 1.00 49.49 O ATOM 521 CB LYS A 33 38.251 33.352 9.245 1.00 49.82 C ATOM 522 CG LYS A 33 38.087 32.344 8.115 1.00 49.82 C ATOM 523 CD LYS A 33 38.701 32.857 6.822 1.00 49.82 C ATOM 524 CE LYS A 33 40.149 32.411 6.680 1.00 50.21 C ATOM 525 NZ LYS A 33 40.750 32.866 5.397 1.00 49.70 N ATOM 0 H LYS A 33 39.371 31.563 10.718 1.00 49.53 H new ATOM 0 HA LYS A 33 40.403 33.663 8.986 1.00 50.07 H new ATOM 0 HB2 LYS A 33 37.592 33.070 10.066 1.00 49.82 H new ATOM 0 HB3 LYS A 33 37.922 34.330 8.894 1.00 49.82 H new ATOM 0 HG2 LYS A 33 38.558 31.402 8.395 1.00 49.82 H new ATOM 0 HG3 LYS A 33 37.028 32.138 7.960 1.00 49.82 H new ATOM 0 HD2 LYS A 33 38.122 32.494 5.973 1.00 49.82 H new ATOM 0 HD3 LYS A 33 38.650 33.946 6.800 1.00 49.82 H new ATOM 0 HE2 LYS A 33 40.732 32.804 7.513 1.00 50.21 H new ATOM 0 HE3 LYS A 33 40.201 31.324 6.739 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 41.736 32.541 5.341 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 40.210 32.471 4.601 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 40.725 33.905 5.351 1.00 49.70 H new ATOM 539 N GLU A 34 39.430 34.632 11.930 1.00 49.53 N ATOM 540 CA GLU A 34 39.497 35.755 12.839 1.00 50.07 C ATOM 541 C GLU A 34 40.813 35.876 13.563 1.00 50.51 C ATOM 542 O GLU A 34 41.306 36.993 13.751 1.00 49.49 O ATOM 543 CB GLU A 34 38.356 35.676 13.856 1.00 49.82 C ATOM 544 CG GLU A 34 36.965 35.805 13.252 1.00 49.72 C ATOM 545 CD GLU A 34 35.898 35.645 14.300 1.00 50.62 C ATOM 546 OE1 GLU A 34 36.239 35.428 15.439 1.00 49.24 O ATOM 547 OE2 GLU A 34 34.750 35.850 13.986 1.00 49.24 O ATOM 0 H GLU A 34 39.085 33.783 12.378 1.00 49.53 H new ATOM 0 HA GLU A 34 39.400 36.648 12.222 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.422 34.725 14.385 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.491 36.463 14.597 1.00 49.82 H new ATOM 0 HG2 GLU A 34 36.863 36.778 12.772 1.00 49.72 H new ATOM 0 HG3 GLU A 34 36.832 35.051 12.476 1.00 49.72 H new ATOM 554 N GLY A 35 41.355 34.767 14.039 1.00 49.53 N ATOM 555 CA GLY A 35 42.642 34.744 14.684 1.00 49.98 C ATOM 556 C GLY A 35 42.357 34.530 16.118 1.00 50.51 C ATOM 557 O GLY A 35 43.306 34.437 16.942 1.00 49.49 O ATOM 0 H GLY A 35 40.904 33.854 13.984 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.268 33.946 14.284 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.178 35.680 14.525 1.00 49.98 H new ATOM 561 N ILE A 36 41.070 34.454 16.500 1.00 49.53 N ATOM 562 CA ILE A 36 40.765 34.236 17.922 1.00 50.07 C ATOM 563 C ILE A 36 40.808 32.738 18.166 1.00 50.51 C ATOM 564 O ILE A 36 40.180 31.956 17.431 1.00 49.49 O ATOM 565 CB ILE A 36 39.382 34.789 18.310 1.00 49.91 C ATOM 566 CG1 ILE A 36 39.278 36.272 17.945 1.00 49.82 C ATOM 567 CG2 ILE A 36 39.124 34.584 19.794 1.00 49.73 C ATOM 568 CD1 ILE A 36 37.932 36.886 18.259 1.00 49.73 C ATOM 0 H ILE A 36 40.264 34.535 15.881 1.00 49.53 H new ATOM 0 HA ILE A 36 41.496 34.765 18.533 1.00 50.07 H new ATOM 0 HB ILE A 36 38.622 34.243 17.751 1.00 49.91 H new ATOM 0 HG12 ILE A 36 40.052 36.823 18.480 1.00 49.82 H new ATOM 0 HG13 ILE A 36 39.481 36.389 16.881 1.00 49.82 H new ATOM 0 HG21 ILE A 36 38.142 34.981 20.051 1.00 49.73 H new ATOM 0 HG22 ILE A 36 39.157 33.519 20.025 1.00 49.73 H new ATOM 0 HG23 ILE A 36 39.888 35.105 20.371 1.00 49.73 H new ATOM 0 HD11 ILE A 36 37.936 37.938 17.972 1.00 49.73 H new ATOM 0 HD12 ILE A 36 37.154 36.362 17.704 1.00 49.73 H new ATOM 0 HD13 ILE A 36 37.734 36.802 19.328 1.00 49.73 H new ATOM 580 N PRO A 37 41.521 32.316 19.205 1.00 49.71 N ATOM 581 CA PRO A 37 41.626 30.897 19.588 1.00 50.02 C ATOM 582 C PRO A 37 40.253 30.302 19.840 1.00 50.51 C ATOM 583 O PRO A 37 39.437 30.961 20.536 1.00 49.49 O ATOM 584 CB PRO A 37 42.406 31.021 20.933 1.00 49.82 C ATOM 585 CG PRO A 37 43.267 32.232 20.725 1.00 49.82 C ATOM 586 CD PRO A 37 42.288 33.223 20.110 1.00 50.00 C ATOM 0 HA PRO A 37 42.092 30.260 18.836 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.731 31.149 21.779 1.00 49.82 H new ATOM 0 HB3 PRO A 37 43.004 30.132 21.134 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.684 32.600 21.662 1.00 49.82 H new ATOM 0 HG3 PRO A 37 44.107 32.025 20.062 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.653 33.698 20.858 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.792 34.022 19.567 1.00 50.00 H new ATOM 594 N PRO A 38 39.987 29.108 19.372 1.00 49.71 N ATOM 595 CA PRO A 38 38.663 28.499 19.580 1.00 50.02 C ATOM 596 C PRO A 38 38.277 28.388 21.031 1.00 50.51 C ATOM 597 O PRO A 38 37.077 28.478 21.411 1.00 49.49 O ATOM 598 CB PRO A 38 38.758 27.169 18.838 1.00 49.82 C ATOM 599 CG PRO A 38 39.775 27.462 17.737 1.00 49.82 C ATOM 600 CD PRO A 38 40.847 28.246 18.524 1.00 50.00 C ATOM 0 HA PRO A 38 37.850 29.112 19.192 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.093 26.364 19.493 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.795 26.866 18.428 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.175 26.551 17.292 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.346 28.051 16.926 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.488 27.592 19.115 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.499 28.826 17.871 1.00 50.00 H new ATOM 608 N ASP A 39 39.229 28.195 21.910 1.00 49.53 N ATOM 609 CA ASP A 39 38.921 28.019 23.355 1.00 50.07 C ATOM 610 C ASP A 39 38.249 29.207 24.032 1.00 50.51 C ATOM 611 O ASP A 39 37.653 29.112 25.142 1.00 49.49 O ATOM 612 CB ASP A 39 40.198 27.660 24.119 1.00 49.72 C ATOM 613 CG ASP A 39 41.361 28.614 23.883 1.00 50.62 C ATOM 614 OD1 ASP A 39 41.739 28.792 22.750 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.757 29.275 24.814 1.00 49.24 O ATOM 0 H ASP A 39 40.222 28.152 21.679 1.00 49.53 H new ATOM 0 HA ASP A 39 38.190 27.211 23.389 1.00 50.07 H new ATOM 0 HB2 ASP A 39 39.974 27.636 25.186 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.506 26.654 23.835 1.00 49.72 H new ATOM 620 N GLN A 40 38.228 30.342 23.354 1.00 49.53 N ATOM 621 CA GLN A 40 37.567 31.534 23.936 1.00 50.07 C ATOM 622 C GLN A 40 36.208 31.855 23.285 1.00 50.51 C ATOM 623 O GLN A 40 35.660 32.918 23.552 1.00 49.49 O ATOM 624 CB GLN A 40 38.484 32.755 23.823 1.00 49.82 C ATOM 625 CG GLN A 40 39.705 32.702 24.724 1.00 49.82 C ATOM 626 CD GLN A 40 40.756 33.726 24.338 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.572 34.497 23.391 1.00 49.45 O ATOM 628 NE2 GLN A 40 41.866 33.738 25.067 1.00 49.38 N ATOM 0 H GLN A 40 38.641 30.479 22.431 1.00 49.53 H new ATOM 0 HA GLN A 40 37.375 31.297 24.982 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.814 32.853 22.789 1.00 49.82 H new ATOM 0 HB3 GLN A 40 37.909 33.650 24.061 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.399 32.872 25.756 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.141 31.704 24.681 1.00 49.82 H new ATOM 0 HE21 GLN A 40 41.975 33.082 25.841 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.609 34.403 24.853 1.00 49.38 H new ATOM 637 N GLN A 41 35.686 30.959 22.478 1.00 49.53 N ATOM 638 CA GLN A 41 34.446 31.153 21.766 1.00 50.07 C ATOM 639 C GLN A 41 33.368 30.304 22.404 1.00 50.51 C ATOM 640 O GLN A 41 33.410 29.085 22.491 1.00 49.49 O ATOM 641 CB GLN A 41 34.605 30.775 20.269 1.00 49.82 C ATOM 642 CG GLN A 41 35.745 31.547 19.563 1.00 49.82 C ATOM 643 CD GLN A 41 35.837 31.131 18.122 1.00 50.55 C ATOM 644 OE1 GLN A 41 34.812 30.726 17.547 1.00 49.45 O ATOM 645 NE2 GLN A 41 36.990 31.187 17.492 1.00 49.38 N ATOM 0 H GLN A 41 36.123 30.055 22.295 1.00 49.53 H new ATOM 0 HA GLN A 41 34.167 32.205 21.821 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.796 29.705 20.190 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.667 30.971 19.750 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.563 32.620 19.629 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.692 31.353 20.067 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.821 31.522 17.979 1.00 49.38 H new ATOM 0 HE22 GLN A 41 37.053 30.896 16.517 1.00 49.38 H new ATOM 654 N ARG A 42 32.247 30.960 22.699 1.00 49.53 N ATOM 655 CA ARG A 42 31.024 30.237 23.172 1.00 50.07 C ATOM 656 C ARG A 42 30.067 30.291 22.001 1.00 50.51 C ATOM 657 O ARG A 42 30.014 31.408 21.345 1.00 49.49 O ATOM 658 CB ARG A 42 30.432 30.830 24.442 1.00 49.82 C ATOM 659 CG ARG A 42 31.388 30.896 25.622 1.00 49.82 C ATOM 660 CD ARG A 42 30.745 31.256 26.912 1.00 50.20 C ATOM 661 NE ARG A 42 29.810 30.264 27.417 1.00 49.30 N ATOM 662 CZ ARG A 42 28.999 30.445 28.478 1.00 50.64 C ATOM 663 NH1 ARG A 42 29.032 31.562 29.171 1.00 49.20 N ATOM 664 NH2 ARG A 42 28.186 29.461 28.819 1.00 49.20 N ATOM 0 H ARG A 42 32.140 31.972 22.627 1.00 49.53 H new ATOM 0 HA ARG A 42 31.255 29.211 23.460 1.00 50.07 H new ATOM 0 HB2 ARG A 42 30.076 31.837 24.224 1.00 49.82 H new ATOM 0 HB3 ARG A 42 29.562 30.240 24.730 1.00 49.82 H new ATOM 0 HG2 ARG A 42 31.878 29.929 25.732 1.00 49.82 H new ATOM 0 HG3 ARG A 42 32.168 31.625 25.402 1.00 49.82 H new ATOM 0 HD2 ARG A 42 31.523 31.417 27.659 1.00 50.20 H new ATOM 0 HD3 ARG A 42 30.219 32.203 26.790 1.00 50.20 H new ATOM 0 HE ARG A 42 29.765 29.367 26.934 1.00 49.30 H new ATOM 0 HH11 ARG A 42 29.678 32.306 28.908 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.412 31.684 29.972 1.00 49.20 H new ATOM 0 HH21 ARG A 42 28.184 28.593 28.284 1.00 49.20 H new ATOM 0 HH22 ARG A 42 27.561 29.570 29.618 1.00 49.20 H new ATOM 678 N LEU A 43 29.400 29.194 21.649 1.00 49.53 N ATOM 679 CA LEU A 43 28.494 29.193 20.472 1.00 50.07 C ATOM 680 C LEU A 43 27.054 29.009 20.936 1.00 50.51 C ATOM 681 O LEU A 43 26.751 27.978 21.552 1.00 49.49 O ATOM 682 CB LEU A 43 28.893 28.085 19.490 1.00 49.82 C ATOM 683 CG LEU A 43 30.207 28.324 18.734 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.416 27.233 17.693 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.172 29.696 18.077 1.00 49.73 C ATOM 0 H LEU A 43 29.458 28.303 22.143 1.00 49.53 H new ATOM 0 HA LEU A 43 28.579 30.149 19.954 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.974 27.147 20.039 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.091 27.960 18.762 1.00 49.82 H new ATOM 0 HG LEU A 43 31.041 28.291 19.435 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.351 27.411 17.162 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.459 26.262 18.187 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.588 27.243 16.984 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.105 29.866 17.540 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.337 29.743 17.378 1.00 49.73 H new ATOM 0 HD23 LEU A 43 30.049 30.463 18.842 1.00 49.73 H new ATOM 697 N ILE A 44 26.238 30.035 20.713 1.00 49.53 N ATOM 698 CA ILE A 44 24.843 30.046 21.139 1.00 50.07 C ATOM 699 C ILE A 44 23.877 29.998 19.961 1.00 50.51 C ATOM 700 O ILE A 44 23.935 30.789 19.040 1.00 49.49 O ATOM 701 CB ILE A 44 24.527 31.288 21.993 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.303 31.239 23.312 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.033 31.388 22.253 1.00 49.73 C ATOM 704 CD1 ILE A 44 24.925 30.074 24.200 1.00 49.73 C ATOM 0 H ILE A 44 26.527 30.885 20.230 1.00 49.53 H new ATOM 0 HA ILE A 44 24.705 29.146 21.738 1.00 50.07 H new ATOM 0 HB ILE A 44 24.839 32.176 21.443 1.00 49.91 H new ATOM 0 HG12 ILE A 44 26.370 31.186 23.093 1.00 49.82 H new ATOM 0 HG13 ILE A 44 25.135 32.168 23.856 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.827 32.271 22.858 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.503 31.467 21.304 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.696 30.498 22.784 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.517 30.107 25.115 1.00 49.73 H new ATOM 0 HD12 ILE A 44 23.866 30.136 24.450 1.00 49.73 H new ATOM 0 HD13 ILE A 44 25.120 29.139 23.676 1.00 49.73 H new ATOM 716 N PHE A 45 22.935 29.022 20.042 1.00 49.53 N ATOM 717 CA PHE A 45 21.893 28.870 19.013 1.00 50.07 C ATOM 718 C PHE A 45 20.557 28.640 19.745 1.00 50.51 C ATOM 719 O PHE A 45 20.391 27.711 20.535 1.00 49.49 O ATOM 720 CB PHE A 45 22.211 27.701 18.079 1.00 49.82 C ATOM 721 CG PHE A 45 21.391 27.691 16.821 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.137 27.098 16.797 1.00 49.88 C ATOM 723 CD2 PHE A 45 21.871 28.275 15.658 1.00 49.88 C ATOM 724 CE1 PHE A 45 19.382 27.087 15.641 1.00 49.88 C ATOM 725 CE2 PHE A 45 21.117 28.266 14.500 1.00 49.88 C ATOM 726 CZ PHE A 45 19.872 27.672 14.491 1.00 49.88 C ATOM 0 H PHE A 45 22.882 28.342 20.800 1.00 49.53 H new ATOM 0 HA PHE A 45 21.840 29.764 18.391 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.267 27.737 17.813 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.049 26.766 18.615 1.00 49.82 H new ATOM 0 HD1 PHE A 45 19.747 26.639 17.693 1.00 49.88 H new ATOM 0 HD2 PHE A 45 22.845 28.742 15.658 1.00 49.88 H new ATOM 0 HE1 PHE A 45 18.408 26.621 15.637 1.00 49.88 H new ATOM 0 HE2 PHE A 45 21.503 28.724 13.601 1.00 49.88 H new ATOM 0 HZ PHE A 45 19.282 27.665 13.586 1.00 49.88 H new ATOM 736 N ALA A 46 19.680 29.578 19.482 1.00 49.53 N ATOM 737 CA ALA A 46 18.301 29.566 20.011 1.00 50.07 C ATOM 738 C ALA A 46 18.472 29.438 21.516 1.00 50.51 C ATOM 739 O ALA A 46 17.807 28.632 22.184 1.00 49.49 O ATOM 740 CB ALA A 46 17.510 28.431 19.444 1.00 49.73 C ATOM 0 H ALA A 46 19.886 30.385 18.893 1.00 49.53 H new ATOM 0 HA ALA A 46 17.745 30.464 19.739 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.500 28.451 19.854 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.464 28.526 18.359 1.00 49.73 H new ATOM 0 HB3 ALA A 46 17.989 27.487 19.705 1.00 49.73 H new ATOM 746 N GLY A 47 19.402 30.199 22.018 1.00 49.53 N ATOM 747 CA GLY A 47 19.818 30.313 23.383 1.00 49.98 C ATOM 748 C GLY A 47 20.313 29.079 24.095 1.00 50.51 C ATOM 749 O GLY A 47 20.345 29.059 25.346 1.00 49.49 O ATOM 0 H GLY A 47 19.943 30.819 21.415 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.611 31.060 23.426 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.977 30.708 23.953 1.00 49.98 H new ATOM 753 N LYS A 48 20.745 28.084 23.370 1.00 49.53 N ATOM 754 CA LYS A 48 21.294 26.856 23.961 1.00 50.07 C ATOM 755 C LYS A 48 22.828 26.741 23.895 1.00 50.51 C ATOM 756 O LYS A 48 23.401 27.195 22.916 1.00 49.49 O ATOM 757 CB LYS A 48 20.663 25.631 23.298 1.00 49.82 C ATOM 758 CG LYS A 48 19.163 25.494 23.527 1.00 49.82 C ATOM 759 CD LYS A 48 18.846 25.276 24.999 1.00 49.82 C ATOM 760 CE LYS A 48 17.358 25.047 25.217 1.00 50.21 C ATOM 761 NZ LYS A 48 16.577 26.308 25.097 1.00 49.70 N ATOM 0 H LYS A 48 20.734 28.084 22.350 1.00 49.53 H new ATOM 0 HA LYS A 48 21.041 26.904 25.020 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.852 25.676 22.225 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.159 24.735 23.672 1.00 49.82 H new ATOM 0 HG2 LYS A 48 18.655 26.391 23.173 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.779 24.658 22.942 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.406 24.418 25.370 1.00 49.82 H new ATOM 0 HD3 LYS A 48 19.171 26.142 25.575 1.00 49.82 H new ATOM 0 HE2 LYS A 48 16.992 24.323 24.489 1.00 50.21 H new ATOM 0 HE3 LYS A 48 17.199 24.614 26.205 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 15.568 26.108 25.252 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 16.908 26.990 25.808 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 16.708 26.708 24.146 1.00 49.70 H new ATOM 775 N GLN A 49 23.437 26.150 24.888 1.00 49.53 N ATOM 776 CA GLN A 49 24.905 25.901 24.824 1.00 50.07 C ATOM 777 C GLN A 49 25.193 24.786 23.824 1.00 50.51 C ATOM 778 O GLN A 49 24.479 23.749 23.856 1.00 49.49 O ATOM 779 CB GLN A 49 25.450 25.521 26.204 1.00 49.82 C ATOM 780 CG GLN A 49 26.951 25.284 26.237 1.00 49.82 C ATOM 781 CD GLN A 49 27.471 25.057 27.643 1.00 50.55 C ATOM 782 OE1 GLN A 49 26.719 25.138 28.618 1.00 49.45 O ATOM 783 NE2 GLN A 49 28.763 24.774 27.757 1.00 49.38 N ATOM 0 H GLN A 49 22.980 25.829 25.741 1.00 49.53 H new ATOM 0 HA GLN A 49 25.401 26.816 24.499 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.203 26.313 26.911 1.00 49.82 H new ATOM 0 HB3 GLN A 49 24.943 24.619 26.547 1.00 49.82 H new ATOM 0 HG2 GLN A 49 27.193 24.419 25.619 1.00 49.82 H new ATOM 0 HG3 GLN A 49 27.461 26.142 25.798 1.00 49.82 H new ATOM 0 HE21 GLN A 49 29.348 24.717 26.923 1.00 49.38 H new ATOM 0 HE22 GLN A 49 29.171 24.614 28.678 1.00 49.38 H new ATOM 792 N LEU A 50 26.145 24.982 22.943 1.00 49.53 N ATOM 793 CA LEU A 50 26.447 24.012 21.877 1.00 50.07 C ATOM 794 C LEU A 50 27.627 23.144 22.280 1.00 50.51 C ATOM 795 O LEU A 50 28.632 23.702 22.672 1.00 49.49 O ATOM 796 CB LEU A 50 26.739 24.740 20.560 1.00 49.82 C ATOM 797 CG LEU A 50 25.523 25.393 19.891 1.00 49.91 C ATOM 798 CD1 LEU A 50 25.977 26.333 18.783 1.00 49.73 C ATOM 799 CD2 LEU A 50 24.604 24.313 19.339 1.00 49.73 C ATOM 0 H LEU A 50 26.740 25.811 22.931 1.00 49.53 H new ATOM 0 HA LEU A 50 25.578 23.371 21.729 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.488 25.510 20.747 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.180 24.030 19.861 1.00 49.82 H new ATOM 0 HG LEU A 50 24.974 25.977 20.629 1.00 49.91 H new ATOM 0 HD11 LEU A 50 25.106 26.791 18.315 1.00 49.73 H new ATOM 0 HD12 LEU A 50 26.614 27.111 19.204 1.00 49.73 H new ATOM 0 HD13 LEU A 50 26.537 25.771 18.036 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.740 24.778 18.864 1.00 49.73 H new ATOM 0 HD22 LEU A 50 25.144 23.716 18.604 1.00 49.73 H new ATOM 0 HD23 LEU A 50 24.268 23.670 20.153 1.00 49.73 H new ATOM 811 N GLU A 51 27.451 21.822 22.255 1.00 49.53 N ATOM 812 CA GLU A 51 28.535 20.911 22.681 1.00 50.07 C ATOM 813 C GLU A 51 29.516 20.656 21.569 1.00 50.51 C ATOM 814 O GLU A 51 29.101 20.556 20.417 1.00 49.49 O ATOM 815 CB GLU A 51 27.953 19.587 23.181 1.00 49.82 C ATOM 816 CG GLU A 51 28.953 18.692 23.899 1.00 49.72 C ATOM 817 CD GLU A 51 28.265 17.545 24.586 1.00 50.62 C ATOM 818 OE1 GLU A 51 27.061 17.475 24.521 1.00 49.24 O ATOM 819 OE2 GLU A 51 28.947 16.679 25.080 1.00 49.24 O ATOM 0 H GLU A 51 26.594 21.359 21.954 1.00 49.53 H new ATOM 0 HA GLU A 51 29.072 21.398 23.495 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.124 19.800 23.856 1.00 49.82 H new ATOM 0 HB3 GLU A 51 27.540 19.042 22.332 1.00 49.82 H new ATOM 0 HG2 GLU A 51 29.679 18.307 23.183 1.00 49.72 H new ATOM 0 HG3 GLU A 51 29.508 19.278 24.632 1.00 49.72 H new ATOM 826 N ASP A 52 30.792 20.542 21.843 1.00 49.53 N ATOM 827 CA ASP A 52 31.869 20.382 20.872 1.00 50.07 C ATOM 828 C ASP A 52 31.900 19.123 20.022 1.00 50.51 C ATOM 829 O ASP A 52 32.408 19.189 18.866 1.00 49.49 O ATOM 830 CB ASP A 52 33.216 20.522 21.585 1.00 49.72 C ATOM 831 CG ASP A 52 33.457 19.495 22.683 1.00 50.62 C ATOM 832 OD1 ASP A 52 32.507 18.896 23.128 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.597 19.204 22.956 1.00 49.24 O ATOM 0 H ASP A 52 31.136 20.558 22.803 1.00 49.53 H new ATOM 0 HA ASP A 52 31.664 21.173 20.151 1.00 50.07 H new ATOM 0 HB2 ASP A 52 34.014 20.441 20.847 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.282 21.520 22.017 1.00 49.72 H new ATOM 838 N GLY A 53 31.509 17.998 20.577 1.00 49.53 N ATOM 839 CA GLY A 53 31.535 16.685 19.906 1.00 49.98 C ATOM 840 C GLY A 53 30.220 16.436 19.245 1.00 50.51 C ATOM 841 O GLY A 53 29.762 15.274 19.147 1.00 49.49 O ATOM 0 H GLY A 53 31.152 17.952 21.531 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.336 16.658 19.167 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.744 15.898 20.631 1.00 49.98 H new ATOM 845 N ARG A 54 29.541 17.462 18.746 1.00 49.53 N ATOM 846 CA ARG A 54 28.271 17.284 18.013 1.00 50.07 C ATOM 847 C ARG A 54 28.381 17.830 16.597 1.00 50.51 C ATOM 848 O ARG A 54 29.306 18.610 16.287 1.00 49.49 O ATOM 849 CB ARG A 54 27.088 17.891 18.754 1.00 49.82 C ATOM 850 CG ARG A 54 26.679 17.151 20.018 1.00 49.82 C ATOM 851 CD ARG A 54 26.299 15.732 19.801 1.00 50.20 C ATOM 852 NE ARG A 54 26.067 14.976 21.022 1.00 49.30 N ATOM 853 CZ ARG A 54 24.907 14.964 21.705 1.00 50.64 C ATOM 854 NH1 ARG A 54 23.883 15.691 21.315 1.00 49.20 N ATOM 855 NH2 ARG A 54 24.831 14.219 22.794 1.00 49.20 N ATOM 0 H ARG A 54 29.841 18.433 18.831 1.00 49.53 H new ATOM 0 HA ARG A 54 28.082 16.212 17.949 1.00 50.07 H new ATOM 0 HB2 ARG A 54 27.331 18.921 19.015 1.00 49.82 H new ATOM 0 HB3 ARG A 54 26.234 17.927 18.078 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.504 17.189 20.730 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.839 17.674 20.475 1.00 49.82 H new ATOM 0 HD2 ARG A 54 25.396 15.700 19.192 1.00 50.20 H new ATOM 0 HD3 ARG A 54 27.087 15.241 19.229 1.00 50.20 H new ATOM 0 HE ARG A 54 26.837 14.416 21.386 1.00 49.30 H new ATOM 0 HH11 ARG A 54 23.960 16.276 20.483 1.00 49.20 H new ATOM 0 HH12 ARG A 54 23.011 15.670 21.844 1.00 49.20 H new ATOM 0 HH21 ARG A 54 25.638 13.673 23.096 1.00 49.20 H new ATOM 0 HH22 ARG A 54 23.965 14.190 23.332 1.00 49.20 H new ATOM 869 N THR A 55 27.414 17.515 15.770 1.00 49.53 N ATOM 870 CA THR A 55 27.324 18.005 14.376 1.00 50.07 C ATOM 871 C THR A 55 26.322 19.153 14.106 1.00 50.51 C ATOM 872 O THR A 55 25.528 19.500 14.973 1.00 49.49 O ATOM 873 CB THR A 55 26.991 16.848 13.416 1.00 50.14 C ATOM 874 OG1 THR A 55 25.703 16.310 13.742 1.00 49.34 O ATOM 875 CG2 THR A 55 28.038 15.750 13.521 1.00 49.73 C ATOM 0 H THR A 55 26.643 16.901 16.032 1.00 49.53 H new ATOM 0 HA THR A 55 28.314 18.425 14.199 1.00 50.07 H new ATOM 0 HB THR A 55 26.984 17.232 12.396 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.767 15.785 14.567 1.00 49.34 H new ATOM 0 HG21 THR A 55 27.786 14.941 12.836 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.016 16.154 13.262 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.063 15.367 14.541 1.00 49.73 H new ATOM 883 N LEU A 56 26.390 19.693 12.907 1.00 49.53 N ATOM 884 CA LEU A 56 25.468 20.756 12.467 1.00 50.07 C ATOM 885 C LEU A 56 24.029 20.246 12.437 1.00 50.51 C ATOM 886 O LEU A 56 23.190 20.866 13.035 1.00 49.49 O ATOM 887 CB LEU A 56 25.880 21.279 11.086 1.00 49.82 C ATOM 888 CG LEU A 56 25.239 22.611 10.675 1.00 49.91 C ATOM 889 CD1 LEU A 56 25.773 23.738 11.548 1.00 49.73 C ATOM 890 CD2 LEU A 56 25.529 22.883 9.206 1.00 49.73 C ATOM 0 H LEU A 56 27.076 19.420 12.203 1.00 49.53 H new ATOM 0 HA LEU A 56 25.523 21.577 13.182 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.964 21.394 11.067 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.627 20.526 10.339 1.00 49.82 H new ATOM 0 HG LEU A 56 24.159 22.554 10.814 1.00 49.91 H new ATOM 0 HD11 LEU A 56 25.312 24.679 11.249 1.00 49.73 H new ATOM 0 HD12 LEU A 56 25.535 23.533 12.592 1.00 49.73 H new ATOM 0 HD13 LEU A 56 26.854 23.809 11.429 1.00 49.73 H new ATOM 0 HD21 LEU A 56 25.073 23.829 8.914 1.00 49.73 H new ATOM 0 HD22 LEU A 56 26.607 22.936 9.052 1.00 49.73 H new ATOM 0 HD23 LEU A 56 25.115 22.078 8.598 1.00 49.73 H new ATOM 902 N SER A 57 23.810 19.047 11.859 1.00 49.53 N ATOM 903 CA SER A 57 22.410 18.556 11.819 1.00 50.07 C ATOM 904 C SER A 57 21.716 18.195 13.114 1.00 50.51 C ATOM 905 O SER A 57 20.465 18.359 13.238 1.00 49.49 O ATOM 906 CB SER A 57 22.338 17.368 10.882 1.00 50.05 C ATOM 907 OG SER A 57 21.131 16.667 11.011 1.00 49.34 O ATOM 0 H SER A 57 24.517 18.440 11.444 1.00 49.53 H new ATOM 0 HA SER A 57 21.856 19.433 11.484 1.00 50.07 H new ATOM 0 HB2 SER A 57 22.449 17.711 9.853 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.171 16.695 11.086 1.00 50.05 H new ATOM 0 HG SER A 57 21.124 15.910 10.389 1.00 49.34 H new ATOM 913 N ASP A 58 22.478 17.763 14.103 1.00 49.53 N ATOM 914 CA ASP A 58 21.900 17.385 15.420 1.00 50.07 C ATOM 915 C ASP A 58 21.024 18.432 16.116 1.00 50.51 C ATOM 916 O ASP A 58 20.148 18.127 16.930 1.00 49.49 O ATOM 917 CB ASP A 58 23.022 16.964 16.372 1.00 49.72 C ATOM 918 CG ASP A 58 23.730 15.674 15.978 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.092 14.818 15.412 1.00 49.24 O ATOM 920 OD2 ASP A 58 24.930 15.616 16.103 1.00 49.24 O ATOM 0 H ASP A 58 23.491 17.659 14.040 1.00 49.53 H new ATOM 0 HA ASP A 58 21.220 16.566 15.184 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.758 17.767 16.425 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.607 16.846 17.373 1.00 49.72 H new ATOM 925 N TYR A 59 21.380 19.668 15.919 1.00 49.53 N ATOM 926 CA TYR A 59 20.678 20.824 16.474 1.00 50.07 C ATOM 927 C TYR A 59 19.566 21.431 15.647 1.00 50.51 C ATOM 928 O TYR A 59 19.079 22.512 16.033 1.00 49.49 O ATOM 929 CB TYR A 59 21.690 21.919 16.816 1.00 49.82 C ATOM 930 CG TYR A 59 22.641 21.547 17.933 1.00 50.00 C ATOM 931 CD1 TYR A 59 22.169 21.291 19.213 1.00 49.88 C ATOM 932 CD2 TYR A 59 24.006 21.455 17.707 1.00 49.88 C ATOM 933 CE1 TYR A 59 23.031 20.951 20.236 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.878 21.115 18.722 1.00 49.88 C ATOM 935 CZ TYR A 59 24.386 20.864 19.988 1.00 50.11 C ATOM 936 OH TYR A 59 25.250 20.527 21.004 1.00 49.46 O ATOM 0 H TYR A 59 22.189 19.923 15.353 1.00 49.53 H new ATOM 0 HA TYR A 59 20.171 20.418 17.349 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.269 22.157 15.923 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.151 22.824 17.097 1.00 49.82 H new ATOM 0 HD1 TYR A 59 21.110 21.359 19.412 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.394 21.653 16.719 1.00 49.88 H new ATOM 0 HE1 TYR A 59 22.647 20.754 21.226 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.938 21.046 18.527 1.00 49.88 H new ATOM 0 HH TYR A 59 26.024 20.054 20.632 1.00 49.46 H new ATOM 946 N ASN A 60 19.111 20.836 14.564 1.00 49.53 N ATOM 947 CA ASN A 60 18.022 21.464 13.788 1.00 50.07 C ATOM 948 C ASN A 60 18.362 22.769 13.078 1.00 50.51 C ATOM 949 O ASN A 60 17.470 23.574 12.743 1.00 49.49 O ATOM 950 CB ASN A 60 16.800 21.677 14.661 1.00 49.82 C ATOM 951 CG ASN A 60 15.554 22.008 13.888 1.00 50.55 C ATOM 952 OD1 ASN A 60 15.458 21.745 12.683 1.00 49.45 O ATOM 953 ND2 ASN A 60 14.631 22.656 14.553 1.00 49.38 N ATOM 0 H ASN A 60 19.453 19.948 14.197 1.00 49.53 H new ATOM 0 HA ASN A 60 17.828 20.746 12.991 1.00 50.07 H new ATOM 0 HB2 ASN A 60 16.623 20.776 15.249 1.00 49.82 H new ATOM 0 HB3 ASN A 60 17.004 22.483 15.366 1.00 49.82 H new ATOM 0 HD21 ASN A 60 13.785 22.969 14.077 1.00 49.38 H new ATOM 0 HD22 ASN A 60 14.758 22.848 15.547 1.00 49.38 H new ATOM 960 N ILE A 61 19.627 22.968 12.768 1.00 49.53 N ATOM 961 CA ILE A 61 20.057 24.169 11.991 1.00 50.07 C ATOM 962 C ILE A 61 19.717 24.145 10.503 1.00 50.51 C ATOM 963 O ILE A 61 20.345 23.285 9.819 1.00 49.49 O ATOM 964 CB ILE A 61 21.572 24.400 12.136 1.00 49.91 C ATOM 965 CG1 ILE A 61 21.929 24.694 13.595 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.025 25.538 11.234 1.00 49.73 C ATOM 967 CD1 ILE A 61 23.406 24.916 13.830 1.00 49.73 C ATOM 0 H ILE A 61 20.385 22.337 13.027 1.00 49.53 H new ATOM 0 HA ILE A 61 19.481 24.984 12.429 1.00 50.07 H new ATOM 0 HB ILE A 61 22.092 23.492 11.830 1.00 49.91 H new ATOM 0 HG12 ILE A 61 21.382 25.578 13.922 1.00 49.82 H new ATOM 0 HG13 ILE A 61 21.593 23.864 14.216 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.098 25.688 11.349 1.00 49.73 H new ATOM 0 HG22 ILE A 61 21.802 25.290 10.196 1.00 49.73 H new ATOM 0 HG23 ILE A 61 21.499 26.452 11.510 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.580 25.119 14.887 1.00 49.73 H new ATOM 0 HD12 ILE A 61 23.959 24.024 13.536 1.00 49.73 H new ATOM 0 HD13 ILE A 61 23.745 25.766 13.237 1.00 49.73 H new ATOM 979 N GLN A 62 18.805 24.963 10.058 1.00 49.53 N ATOM 980 CA GLN A 62 18.338 24.986 8.640 1.00 50.07 C ATOM 981 C GLN A 62 19.142 26.059 7.901 1.00 50.51 C ATOM 982 O GLN A 62 20.077 26.637 8.481 1.00 49.49 O ATOM 983 CB GLN A 62 16.840 25.294 8.561 1.00 49.82 C ATOM 984 CG GLN A 62 15.950 24.207 9.140 1.00 49.82 C ATOM 985 CD GLN A 62 15.598 23.143 8.118 1.00 50.55 C ATOM 986 OE1 GLN A 62 16.465 22.649 7.393 1.00 49.45 O ATOM 987 NE2 GLN A 62 14.321 22.785 8.053 1.00 49.38 N ATOM 0 H GLN A 62 18.341 25.652 10.650 1.00 49.53 H new ATOM 0 HA GLN A 62 18.493 24.009 8.182 1.00 50.07 H new ATOM 0 HB2 GLN A 62 16.644 26.228 9.088 1.00 49.82 H new ATOM 0 HB3 GLN A 62 16.568 25.454 7.518 1.00 49.82 H new ATOM 0 HG2 GLN A 62 16.454 23.741 9.987 1.00 49.82 H new ATOM 0 HG3 GLN A 62 15.034 24.657 9.523 1.00 49.82 H new ATOM 0 HE21 GLN A 62 13.637 23.220 8.672 1.00 49.38 H new ATOM 0 HE22 GLN A 62 14.024 22.075 7.384 1.00 49.38 H new ATOM 996 N LYS A 63 18.815 26.313 6.635 1.00 49.53 N ATOM 997 CA LYS A 63 19.543 27.257 5.816 1.00 50.07 C ATOM 998 C LYS A 63 19.505 28.695 6.328 1.00 50.51 C ATOM 999 O LYS A 63 18.544 29.171 6.913 1.00 49.49 O ATOM 1000 CB LYS A 63 19.022 27.214 4.379 1.00 49.82 C ATOM 1001 CG LYS A 63 19.132 25.850 3.711 1.00 49.82 C ATOM 1002 CD LYS A 63 18.212 25.749 2.503 1.00 49.82 C ATOM 1003 CE LYS A 63 18.661 26.680 1.386 1.00 50.21 C ATOM 1004 NZ LYS A 63 17.879 26.467 0.138 1.00 49.70 N ATOM 0 H LYS A 63 18.035 25.864 6.155 1.00 49.53 H new ATOM 0 HA LYS A 63 20.586 26.944 5.862 1.00 50.07 H new ATOM 0 HB2 LYS A 63 17.977 27.524 4.375 1.00 49.82 H new ATOM 0 HB3 LYS A 63 19.573 27.942 3.784 1.00 49.82 H new ATOM 0 HG2 LYS A 63 20.163 25.677 3.401 1.00 49.82 H new ATOM 0 HG3 LYS A 63 18.880 25.070 4.429 1.00 49.82 H new ATOM 0 HD2 LYS A 63 18.198 24.722 2.139 1.00 49.82 H new ATOM 0 HD3 LYS A 63 17.192 25.997 2.798 1.00 49.82 H new ATOM 0 HE2 LYS A 63 18.552 27.715 1.710 1.00 50.21 H new ATOM 0 HE3 LYS A 63 19.720 26.519 1.183 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 18.215 27.120 -0.598 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 18.003 25.487 -0.186 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 16.872 26.645 0.325 1.00 49.70 H new ATOM 1018 N GLU A 64 20.663 29.340 6.132 1.00 49.53 N ATOM 1019 CA GLU A 64 20.925 30.707 6.501 1.00 50.07 C ATOM 1020 C GLU A 64 20.394 30.906 7.890 1.00 50.51 C ATOM 1021 O GLU A 64 19.414 31.653 8.131 1.00 49.49 O ATOM 1022 CB GLU A 64 20.261 31.678 5.521 1.00 49.82 C ATOM 1023 CG GLU A 64 20.728 31.535 4.080 1.00 49.72 C ATOM 1024 CD GLU A 64 19.855 32.319 3.141 1.00 50.62 C ATOM 1025 OE1 GLU A 64 19.906 33.525 3.181 1.00 49.24 O ATOM 1026 OE2 GLU A 64 19.220 31.717 2.308 1.00 49.24 O ATOM 0 H GLU A 64 21.466 28.890 5.692 1.00 49.53 H new ATOM 0 HA GLU A 64 21.996 30.909 6.468 1.00 50.07 H new ATOM 0 HB2 GLU A 64 19.182 31.530 5.557 1.00 49.82 H new ATOM 0 HB3 GLU A 64 20.454 32.698 5.853 1.00 49.82 H new ATOM 0 HG2 GLU A 64 21.759 31.879 3.994 1.00 49.72 H new ATOM 0 HG3 GLU A 64 20.718 30.483 3.795 1.00 49.72 H new ATOM 1033 N SER A 65 21.125 30.356 8.847 1.00 49.53 N ATOM 1034 CA SER A 65 20.846 30.524 10.278 1.00 50.07 C ATOM 1035 C SER A 65 21.928 31.484 10.824 1.00 50.51 C ATOM 1036 O SER A 65 23.014 31.575 10.261 1.00 49.49 O ATOM 1037 CB SER A 65 20.880 29.189 10.995 1.00 50.05 C ATOM 1038 OG SER A 65 20.032 28.247 10.397 1.00 49.34 O ATOM 0 H SER A 65 21.940 29.772 8.657 1.00 49.53 H new ATOM 0 HA SER A 65 19.849 30.933 10.441 1.00 50.07 H new ATOM 0 HB2 SER A 65 21.901 28.806 10.999 1.00 50.05 H new ATOM 0 HB3 SER A 65 20.588 29.330 12.036 1.00 50.05 H new ATOM 0 HG SER A 65 20.533 27.733 9.730 1.00 49.34 H new ATOM 1044 N THR A 66 21.614 32.194 11.875 1.00 49.53 N ATOM 1045 CA THR A 66 22.571 33.079 12.549 1.00 50.07 C ATOM 1046 C THR A 66 23.117 32.410 13.810 1.00 50.51 C ATOM 1047 O THR A 66 22.310 31.834 14.572 1.00 49.49 O ATOM 1048 CB THR A 66 21.928 34.426 12.928 1.00 50.14 C ATOM 1049 OG1 THR A 66 21.608 35.158 11.737 1.00 49.34 O ATOM 1050 CG2 THR A 66 22.880 35.250 13.783 1.00 49.73 C ATOM 0 H THR A 66 20.688 32.186 12.302 1.00 49.53 H new ATOM 0 HA THR A 66 23.385 33.269 11.850 1.00 50.07 H new ATOM 0 HB THR A 66 21.020 34.230 13.498 1.00 50.14 H new ATOM 0 HG1 THR A 66 21.197 36.014 11.980 1.00 49.34 H new ATOM 0 HG21 THR A 66 22.409 36.198 14.041 1.00 49.73 H new ATOM 0 HG22 THR A 66 23.117 34.702 14.695 1.00 49.73 H new ATOM 0 HG23 THR A 66 23.797 35.440 13.226 1.00 49.73 H new ATOM 1058 N LEU A 67 24.442 32.420 13.993 1.00 49.53 N ATOM 1059 CA LEU A 67 25.021 31.890 15.234 1.00 50.07 C ATOM 1060 C LEU A 67 25.598 33.082 16.026 1.00 50.51 C ATOM 1061 O LEU A 67 26.232 33.902 15.343 1.00 49.49 O ATOM 1062 CB LEU A 67 26.112 30.856 14.926 1.00 49.82 C ATOM 1063 CG LEU A 67 26.545 29.990 16.115 1.00 49.91 C ATOM 1064 CD1 LEU A 67 25.353 29.212 16.656 1.00 49.73 C ATOM 1065 CD2 LEU A 67 27.654 29.044 15.679 1.00 49.73 C ATOM 0 H LEU A 67 25.118 32.778 13.319 1.00 49.53 H new ATOM 0 HA LEU A 67 24.257 31.382 15.823 1.00 50.07 H new ATOM 0 HB2 LEU A 67 25.755 30.201 14.131 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.987 31.379 14.540 1.00 49.82 H new ATOM 0 HG LEU A 67 26.924 30.630 16.912 1.00 49.91 H new ATOM 0 HD11 LEU A 67 25.671 28.600 17.500 1.00 49.73 H new ATOM 0 HD12 LEU A 67 24.582 29.909 16.983 1.00 49.73 H new ATOM 0 HD13 LEU A 67 24.952 28.569 15.872 1.00 49.73 H new ATOM 0 HD21 LEU A 67 27.961 28.429 16.525 1.00 49.73 H new ATOM 0 HD22 LEU A 67 27.290 28.402 14.877 1.00 49.73 H new ATOM 0 HD23 LEU A 67 28.506 29.622 15.323 1.00 49.73 H new ATOM 1077 N HIS A 68 25.399 33.112 17.295 1.00 49.53 N ATOM 1078 CA HIS A 68 25.977 34.217 18.097 1.00 50.07 C ATOM 1079 C HIS A 68 27.295 33.771 18.725 1.00 50.51 C ATOM 1080 O HIS A 68 27.358 32.720 19.399 1.00 49.49 O ATOM 1081 CB HIS A 68 24.998 34.672 19.185 1.00 49.92 C ATOM 1082 CG HIS A 68 23.680 35.141 18.651 1.00 50.22 C ATOM 1083 ND1 HIS A 68 22.846 34.327 17.912 1.00 49.30 N ATOM 1084 CD2 HIS A 68 23.052 36.335 18.746 1.00 49.95 C ATOM 1085 CE1 HIS A 68 21.761 35.003 17.579 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.862 36.223 18.072 1.00 49.64 N ATOM 0 H HIS A 68 24.862 32.423 17.821 1.00 49.53 H new ATOM 0 HA HIS A 68 26.166 35.062 17.435 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.827 33.846 19.876 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.455 35.478 19.759 1.00 49.92 H new ATOM 0 HD2 HIS A 68 23.419 37.213 19.257 1.00 49.95 H new ATOM 0 HE1 HIS A 68 20.932 34.622 17.001 1.00 50.25 H new ATOM 0 HE2 HIS A 68 21.168 36.963 17.969 1.00 49.64 H new ATOM 1094 N LEU A 69 28.332 34.576 18.563 1.00 49.53 N ATOM 1095 CA LEU A 69 29.628 34.301 19.176 1.00 50.07 C ATOM 1096 C LEU A 69 29.709 35.066 20.463 1.00 50.51 C ATOM 1097 O LEU A 69 29.143 36.216 20.509 1.00 49.49 O ATOM 1098 CB LEU A 69 30.768 34.700 18.230 1.00 49.82 C ATOM 1099 CG LEU A 69 32.174 34.303 18.698 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.285 32.788 18.791 1.00 49.73 C ATOM 1101 CD2 LEU A 69 33.208 34.861 17.733 1.00 49.73 C ATOM 0 H LEU A 69 28.304 35.432 18.009 1.00 49.53 H new ATOM 0 HA LEU A 69 29.729 33.234 19.374 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.585 34.247 17.256 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.741 35.781 18.089 1.00 49.82 H new ATOM 0 HG LEU A 69 32.358 34.720 19.688 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.287 32.516 19.124 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.551 32.413 19.504 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.097 32.349 17.811 1.00 49.73 H new ATOM 0 HD21 LEU A 69 34.207 34.578 18.066 1.00 49.73 H new ATOM 0 HD22 LEU A 69 33.030 34.457 16.736 1.00 49.73 H new ATOM 0 HD23 LEU A 69 33.129 35.948 17.704 1.00 49.73 H new ATOM 1113 N VAL A 70 30.250 34.513 21.499 1.00 49.53 N ATOM 1114 CA VAL A 70 30.450 35.271 22.768 1.00 50.07 C ATOM 1115 C VAL A 70 31.977 35.239 22.933 1.00 50.51 C ATOM 1116 O VAL A 70 32.616 34.256 22.495 1.00 49.49 O ATOM 1117 CB VAL A 70 29.761 34.608 23.975 1.00 49.91 C ATOM 1118 CG1 VAL A 70 30.052 35.389 25.249 1.00 49.73 C ATOM 1119 CG2 VAL A 70 28.261 34.507 23.745 1.00 49.73 C ATOM 0 H VAL A 70 30.572 33.546 21.528 1.00 49.53 H new ATOM 0 HA VAL A 70 30.020 36.272 22.726 1.00 50.07 H new ATOM 0 HB VAL A 70 30.160 33.600 24.088 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.558 34.907 26.092 1.00 49.73 H new ATOM 0 HG12 VAL A 70 31.128 35.412 25.424 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.679 36.408 25.144 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.791 34.036 24.609 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.846 35.505 23.606 1.00 49.73 H new ATOM 0 HG23 VAL A 70 28.069 33.907 22.855 1.00 49.73 H new ATOM 1129 N LEU A 71 32.552 36.288 23.474 1.00 49.53 N ATOM 1130 CA LEU A 71 34.014 36.326 23.701 1.00 50.07 C ATOM 1131 C LEU A 71 34.410 36.200 25.147 1.00 50.51 C ATOM 1132 O LEU A 71 34.420 37.193 25.903 1.00 49.49 O ATOM 1133 CB LEU A 71 34.596 37.616 23.112 1.00 49.82 C ATOM 1134 CG LEU A 71 34.252 37.876 21.639 1.00 49.91 C ATOM 1135 CD1 LEU A 71 34.804 39.227 21.204 1.00 49.73 C ATOM 1136 CD2 LEU A 71 34.822 36.759 20.779 1.00 49.73 C ATOM 0 H LEU A 71 32.053 37.127 23.769 1.00 49.53 H new ATOM 0 HA LEU A 71 34.426 35.452 23.196 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.242 38.459 23.705 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.681 37.586 23.215 1.00 49.82 H new ATOM 0 HG LEU A 71 33.169 37.895 21.517 1.00 49.91 H new ATOM 0 HD11 LEU A 71 34.555 39.402 20.157 1.00 49.73 H new ATOM 0 HD12 LEU A 71 34.366 40.014 21.818 1.00 49.73 H new ATOM 0 HD13 LEU A 71 35.887 39.233 21.325 1.00 49.73 H new ATOM 0 HD21 LEU A 71 34.577 36.944 19.733 1.00 49.73 H new ATOM 0 HD22 LEU A 71 35.905 36.725 20.898 1.00 49.73 H new ATOM 0 HD23 LEU A 71 34.393 35.806 21.089 1.00 49.73 H new ATOM 1148 N ARG A 72 34.782 35.046 25.559 1.00 49.53 N ATOM 1149 CA ARG A 72 35.257 34.782 26.934 1.00 50.07 C ATOM 1150 C ARG A 72 36.770 34.961 27.020 1.00 50.51 C ATOM 1151 O ARG A 72 37.423 33.978 26.546 1.00 49.49 O ATOM 1152 CB ARG A 72 34.824 33.414 27.440 1.00 49.82 C ATOM 1153 CG ARG A 72 35.363 33.039 28.812 1.00 49.82 C ATOM 1154 CD ARG A 72 34.863 31.742 29.334 1.00 50.20 C ATOM 1155 NE ARG A 72 35.317 30.578 28.592 1.00 49.30 N ATOM 1156 CZ ARG A 72 34.721 29.370 28.623 1.00 50.64 C ATOM 1157 NH1 ARG A 72 33.672 29.152 29.385 1.00 49.20 N ATOM 1158 NH2 ARG A 72 35.234 28.402 27.885 1.00 49.20 N ATOM 0 H ARG A 72 34.778 34.217 24.964 1.00 49.53 H new ATOM 0 HA ARG A 72 34.789 35.515 27.591 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.735 33.383 27.473 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.143 32.659 26.721 1.00 49.82 H new ATOM 0 HG2 ARG A 72 36.451 33.002 28.764 1.00 49.82 H new ATOM 0 HG3 ARG A 72 35.102 33.826 29.519 1.00 49.82 H new ATOM 0 HD2 ARG A 72 35.175 31.639 30.373 1.00 50.20 H new ATOM 0 HD3 ARG A 72 33.773 31.758 29.328 1.00 50.20 H new ATOM 0 HE ARG A 72 36.145 30.683 28.006 1.00 49.30 H new ATOM 0 HH11 ARG A 72 33.298 29.903 29.964 1.00 49.20 H new ATOM 0 HH12 ARG A 72 33.233 28.232 29.397 1.00 49.20 H new ATOM 0 HH21 ARG A 72 36.059 28.580 27.313 1.00 49.20 H new ATOM 0 HH22 ARG A 72 34.805 27.477 27.888 1.00 49.20 H new ATOM 1172 N LEU A 73 37.282 36.037 27.520 1.00 49.53 N ATOM 1173 CA LEU A 73 38.756 36.200 27.582 1.00 50.07 C ATOM 1174 C LEU A 73 39.193 35.374 28.785 1.00 50.51 C ATOM 1175 O LEU A 73 38.360 34.838 29.532 1.00 49.49 O ATOM 1176 CB LEU A 73 39.143 37.675 27.744 1.00 49.82 C ATOM 1177 CG LEU A 73 38.874 38.559 26.520 1.00 49.91 C ATOM 1178 CD1 LEU A 73 39.212 40.009 26.838 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.697 38.059 25.341 1.00 49.73 C ATOM 0 H LEU A 73 36.743 36.819 27.892 1.00 49.53 H new ATOM 0 HA LEU A 73 39.243 35.867 26.665 1.00 50.07 H new ATOM 0 HB2 LEU A 73 38.599 38.085 28.595 1.00 49.82 H new ATOM 0 HB3 LEU A 73 40.204 37.731 27.987 1.00 49.82 H new ATOM 0 HG LEU A 73 37.817 38.505 26.258 1.00 49.91 H new ATOM 0 HD11 LEU A 73 39.018 40.628 25.962 1.00 49.73 H new ATOM 0 HD12 LEU A 73 38.596 40.352 27.669 1.00 49.73 H new ATOM 0 HD13 LEU A 73 40.265 40.086 27.110 1.00 49.73 H new ATOM 0 HD21 LEU A 73 39.506 38.687 24.471 1.00 49.73 H new ATOM 0 HD22 LEU A 73 40.757 38.101 25.593 1.00 49.73 H new ATOM 0 HD23 LEU A 73 39.419 37.030 25.113 1.00 49.73 H new ATOM 1191 N ARG A 74 40.506 35.294 28.927 1.00 49.53 N ATOM 1192 CA ARG A 74 41.132 34.534 30.022 1.00 50.07 C ATOM 1193 C ARG A 74 41.504 35.486 31.156 1.00 50.51 C ATOM 1194 O ARG A 74 42.245 36.464 30.948 1.00 49.49 O ATOM 1195 CB ARG A 74 42.327 33.719 29.553 1.00 49.82 C ATOM 1196 CG ARG A 74 42.064 32.835 28.344 1.00 49.82 C ATOM 1197 CD ARG A 74 43.270 32.151 27.811 1.00 50.20 C ATOM 1198 NE ARG A 74 43.787 31.091 28.662 1.00 49.30 N ATOM 1199 CZ ARG A 74 45.004 30.528 28.530 1.00 50.64 C ATOM 1200 NH1 ARG A 74 45.817 30.892 27.562 1.00 49.20 N ATOM 1201 NH2 ARG A 74 45.351 29.582 29.385 1.00 49.20 N ATOM 0 H ARG A 74 41.171 35.745 28.299 1.00 49.53 H new ATOM 0 HA ARG A 74 40.407 33.810 30.393 1.00 50.07 H new ATOM 0 HB2 ARG A 74 43.143 34.401 29.315 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.666 33.091 30.377 1.00 49.82 H new ATOM 0 HG2 ARG A 74 41.323 32.082 28.614 1.00 49.82 H new ATOM 0 HG3 ARG A 74 41.626 33.443 27.552 1.00 49.82 H new ATOM 0 HD2 ARG A 74 43.032 31.732 26.833 1.00 50.20 H new ATOM 0 HD3 ARG A 74 44.055 32.892 27.658 1.00 50.20 H new ATOM 0 HE ARG A 74 43.186 30.750 29.412 1.00 49.30 H new ATOM 0 HH11 ARG A 74 45.529 31.610 26.897 1.00 49.20 H new ATOM 0 HH12 ARG A 74 46.735 30.456 27.476 1.00 49.20 H new ATOM 0 HH21 ARG A 74 44.704 29.296 30.120 1.00 49.20 H new ATOM 0 HH22 ARG A 74 46.266 29.137 29.310 1.00 49.20 H new ATOM 1215 N GLY A 75 40.888 35.243 32.307 1.00 49.53 N ATOM 1216 CA GLY A 75 41.114 36.028 33.513 1.00 49.98 C ATOM 1217 C GLY A 75 40.226 37.256 33.562 1.00 50.51 C ATOM 1218 O GLY A 75 39.122 37.298 32.992 1.00 49.49 O ATOM 0 H GLY A 75 40.212 34.489 32.430 1.00 49.53 H new ATOM 0 HA2 GLY A 75 40.926 35.409 34.390 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.159 36.334 33.557 1.00 49.98 H new ATOM 1222 N GLY A 76 40.712 38.234 34.303 1.00 49.53 N ATOM 1223 CA GLY A 76 40.058 39.536 34.504 1.00 49.98 C ATOM 1224 C GLY A 76 39.710 39.671 35.995 1.00 50.51 C ATOM 1225 O GLY A 76 38.604 40.181 36.261 1.00 49.49 O ATOM 0 H GLY A 76 41.598 38.153 34.801 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.718 40.346 34.193 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.157 39.607 33.895 1.00 49.98 H new TER 1229 GLY A 76