USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 Single : A 1 MET CE :methyl -148:sc= -1.08 (180deg=-2.39!) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0.543 (180deg=0.473) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 160:sc= -1.41 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.201) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -81:sc= 0.42 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 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0.636 (180deg=0.618) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.275 F(o=-2,f=-0.27) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.266 K(o=-0.27,f=-2.4) USER MOD Single : A 41 GLN :FLIP amide:sc= -2.5 F(o=-3.1!,f=-2.5) 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 180:sc= 0.00379 USER MOD Single : A 57 SER OG : rot 61:sc= 0.0463 USER MOD Single : A 59 TYR OH : rot 30:sc= -2! USER MOD Single : A 60 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.64) 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 -109:sc= 0.673 USER MOD Single : A 66 THR OG1 : rot 30:sc= 0.0739 USER MOD Single : A 68 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.00094) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.231 24.774 2.759 1.00 49.53 N ATOM 2 CA MET A 1 26.123 25.710 3.018 1.00 50.07 C ATOM 3 C MET A 1 26.713 26.998 3.640 1.00 50.51 C ATOM 4 O MET A 1 27.841 26.958 4.130 1.00 49.49 O ATOM 5 CB MET A 1 25.092 25.080 3.953 1.00 49.82 C ATOM 6 CG MET A 1 24.460 23.802 3.421 1.00 49.86 C ATOM 7 SD MET A 1 23.180 23.153 4.514 1.00 49.91 S ATOM 8 CE MET A 1 24.176 22.510 5.857 1.00 49.78 C ATOM 0 H1 MET A 1 26.868 23.935 2.263 1.00 49.53 H new ATOM 0 H2 MET A 1 27.949 25.241 2.169 1.00 49.53 H new ATOM 0 H3 MET A 1 27.659 24.484 3.662 1.00 49.53 H new ATOM 0 HA MET A 1 25.613 25.949 2.085 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.570 24.864 4.909 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.304 25.807 4.148 1.00 49.82 H new ATOM 0 HG2 MET A 1 24.029 23.996 2.439 1.00 49.86 H new ATOM 0 HG3 MET A 1 25.235 23.047 3.286 1.00 49.86 H new ATOM 0 HE1 MET A 1 23.685 21.639 6.290 1.00 49.78 H new ATOM 0 HE2 MET A 1 25.157 22.223 5.478 1.00 49.78 H new ATOM 0 HE3 MET A 1 24.294 23.277 6.622 1.00 49.78 H new ATOM 18 N GLN A 2 25.923 28.029 3.583 1.00 49.53 N ATOM 19 CA GLN A 2 26.371 29.322 4.188 1.00 50.07 C ATOM 20 C GLN A 2 25.661 29.462 5.526 1.00 50.51 C ATOM 21 O GLN A 2 24.435 29.204 5.680 1.00 49.49 O ATOM 22 CB GLN A 2 26.031 30.504 3.276 1.00 49.82 C ATOM 23 CG GLN A 2 26.760 30.492 1.943 1.00 49.82 C ATOM 24 CD GLN A 2 26.388 31.674 1.068 1.00 50.55 C ATOM 25 OE1 GLN A 2 25.309 31.705 0.469 1.00 49.45 O ATOM 26 NE2 GLN A 2 27.281 32.653 0.986 1.00 49.38 N ATOM 0 H GLN A 2 24.999 28.040 3.152 1.00 49.53 H new ATOM 0 HA GLN A 2 27.453 29.322 4.320 1.00 50.07 H new ATOM 0 HB2 GLN A 2 24.957 30.508 3.090 1.00 49.82 H new ATOM 0 HB3 GLN A 2 26.267 31.431 3.798 1.00 49.82 H new ATOM 0 HG2 GLN A 2 27.835 30.499 2.120 1.00 49.82 H new ATOM 0 HG3 GLN A 2 26.530 29.566 1.415 1.00 49.82 H new ATOM 0 HE21 GLN A 2 28.160 32.585 1.498 1.00 49.38 H new ATOM 0 HE22 GLN A 2 27.088 33.473 0.411 1.00 49.38 H new ATOM 35 N ILE A 3 26.435 29.826 6.538 1.00 49.53 N ATOM 36 CA ILE A 3 25.857 30.140 7.857 1.00 50.07 C ATOM 37 C ILE A 3 26.380 31.570 8.189 1.00 50.51 C ATOM 38 O ILE A 3 27.251 32.003 7.455 1.00 49.49 O ATOM 39 CB ILE A 3 26.300 29.147 8.947 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.822 29.171 9.104 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.818 27.743 8.614 1.00 49.73 C ATOM 42 CD1 ILE A 3 28.327 28.382 10.291 1.00 49.73 C ATOM 0 H ILE A 3 27.450 29.913 6.484 1.00 49.53 H new ATOM 0 HA ILE A 3 24.769 30.076 7.829 1.00 50.07 H new ATOM 0 HB ILE A 3 25.852 29.448 9.894 1.00 49.91 H new ATOM 0 HG12 ILE A 3 28.278 28.775 8.196 1.00 49.82 H new ATOM 0 HG13 ILE A 3 28.151 30.206 9.201 1.00 49.82 H new ATOM 0 HG21 ILE A 3 26.140 27.053 9.394 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.730 27.737 8.550 1.00 49.73 H new ATOM 0 HG23 ILE A 3 26.239 27.431 7.658 1.00 49.73 H new ATOM 0 HD11 ILE A 3 29.414 28.447 10.335 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.902 28.791 11.207 1.00 49.73 H new ATOM 0 HD13 ILE A 3 28.030 27.338 10.187 1.00 49.73 H new ATOM 54 N PHE A 4 25.801 32.112 9.234 1.00 49.53 N ATOM 55 CA PHE A 4 26.251 33.496 9.638 1.00 50.07 C ATOM 56 C PHE A 4 26.693 33.537 11.074 1.00 50.51 C ATOM 57 O PHE A 4 25.847 33.200 11.917 1.00 49.49 O ATOM 58 CB PHE A 4 25.130 34.510 9.405 1.00 49.82 C ATOM 59 CG PHE A 4 24.632 34.550 7.988 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.391 35.138 6.987 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.405 33.999 7.654 1.00 49.88 C ATOM 62 CE1 PHE A 4 24.935 35.175 5.684 1.00 49.88 C ATOM 63 CE2 PHE A 4 22.946 34.034 6.351 1.00 49.88 C ATOM 64 CZ PHE A 4 23.711 34.623 5.366 1.00 49.88 C ATOM 0 H PHE A 4 25.071 31.687 9.805 1.00 49.53 H new ATOM 0 HA PHE A 4 27.107 33.759 9.016 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.296 34.274 10.066 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.487 35.502 9.683 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.350 35.572 7.229 1.00 49.88 H new ATOM 0 HD2 PHE A 4 22.801 33.537 8.421 1.00 49.88 H new ATOM 0 HE1 PHE A 4 25.536 35.636 4.914 1.00 49.88 H new ATOM 0 HE2 PHE A 4 21.988 33.600 6.104 1.00 49.88 H new ATOM 0 HZ PHE A 4 23.353 34.652 4.348 1.00 49.88 H new ATOM 74 N VAL A 5 27.909 33.963 11.402 1.00 49.53 N ATOM 75 CA VAL A 5 28.331 34.098 12.781 1.00 50.07 C ATOM 76 C VAL A 5 28.452 35.599 13.137 1.00 50.51 C ATOM 77 O VAL A 5 29.372 36.172 12.540 1.00 49.49 O ATOM 78 CB VAL A 5 29.679 33.400 13.039 1.00 49.91 C ATOM 79 CG1 VAL A 5 30.169 33.690 14.449 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.554 31.900 12.818 1.00 49.73 C ATOM 0 H VAL A 5 28.622 34.222 10.720 1.00 49.53 H new ATOM 0 HA VAL A 5 27.581 33.618 13.409 1.00 50.07 H new ATOM 0 HB VAL A 5 30.410 33.793 12.332 1.00 49.91 H new ATOM 0 HG11 VAL A 5 31.123 33.188 14.613 1.00 49.73 H new ATOM 0 HG12 VAL A 5 30.298 34.765 14.576 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.438 33.325 15.170 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.516 31.423 13.005 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.808 31.493 13.501 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.248 31.708 11.790 1.00 49.73 H new ATOM 90 N LYS A 6 27.585 36.082 13.957 1.00 49.53 N ATOM 91 CA LYS A 6 27.610 37.542 14.319 1.00 50.07 C ATOM 92 C LYS A 6 28.284 37.794 15.639 1.00 50.51 C ATOM 93 O LYS A 6 28.173 36.968 16.575 1.00 49.49 O ATOM 94 CB LYS A 6 26.189 38.106 14.345 1.00 49.82 C ATOM 95 CG LYS A 6 26.112 39.606 14.600 1.00 49.82 C ATOM 96 CD LYS A 6 24.779 40.178 14.141 1.00 49.82 C ATOM 97 CE LYS A 6 23.659 39.816 15.105 1.00 50.21 C ATOM 98 NZ LYS A 6 22.372 40.464 14.731 1.00 49.70 N ATOM 0 H LYS A 6 26.847 35.539 14.405 1.00 49.53 H new ATOM 0 HA LYS A 6 28.193 38.051 13.552 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.706 37.886 13.393 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.620 37.589 15.117 1.00 49.82 H new ATOM 0 HG2 LYS A 6 26.248 39.804 15.663 1.00 49.82 H new ATOM 0 HG3 LYS A 6 26.925 40.108 14.076 1.00 49.82 H new ATOM 0 HD2 LYS A 6 24.855 41.262 14.060 1.00 49.82 H new ATOM 0 HD3 LYS A 6 24.542 39.800 13.147 1.00 49.82 H new ATOM 0 HE2 LYS A 6 23.529 38.734 15.121 1.00 50.21 H new ATOM 0 HE3 LYS A 6 23.937 40.118 16.115 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 21.635 40.192 15.413 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 22.488 41.497 14.741 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 22.092 40.156 13.778 1.00 49.70 H new ATOM 112 N THR A 7 28.971 38.952 15.772 1.00 49.53 N ATOM 113 CA THR A 7 29.655 39.265 17.035 1.00 50.07 C ATOM 114 C THR A 7 28.864 40.461 17.569 1.00 50.51 C ATOM 115 O THR A 7 27.902 40.857 16.906 1.00 49.49 O ATOM 116 CB THR A 7 31.134 39.645 16.832 1.00 50.14 C ATOM 117 OG1 THR A 7 31.223 40.781 15.964 1.00 49.34 O ATOM 118 CG2 THR A 7 31.903 38.483 16.222 1.00 49.73 C ATOM 0 H THR A 7 29.062 39.660 15.043 1.00 49.53 H new ATOM 0 HA THR A 7 29.678 38.409 17.709 1.00 50.07 H new ATOM 0 HB THR A 7 31.569 39.886 17.802 1.00 50.14 H new ATOM 0 HG1 THR A 7 32.093 41.216 16.083 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.946 38.769 16.085 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.847 37.621 16.887 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.468 38.226 15.256 1.00 49.73 H new ATOM 126 N LEU A 8 29.225 40.975 18.725 1.00 49.53 N ATOM 127 CA LEU A 8 28.481 42.105 19.326 1.00 50.07 C ATOM 128 C LEU A 8 29.077 43.433 18.906 1.00 50.51 C ATOM 129 O LEU A 8 28.596 44.491 19.354 1.00 49.49 O ATOM 130 CB LEU A 8 28.474 41.981 20.855 1.00 49.82 C ATOM 131 CG LEU A 8 27.773 40.732 21.405 1.00 49.91 C ATOM 132 CD1 LEU A 8 27.922 40.675 22.920 1.00 49.73 C ATOM 133 CD2 LEU A 8 26.304 40.755 21.009 1.00 49.73 C ATOM 0 H LEU A 8 30.017 40.646 19.277 1.00 49.53 H new ATOM 0 HA LEU A 8 27.453 42.068 18.965 1.00 50.07 H new ATOM 0 HB2 LEU A 8 29.505 41.985 21.209 1.00 49.82 H new ATOM 0 HB3 LEU A 8 27.990 42.864 21.273 1.00 49.82 H new ATOM 0 HG LEU A 8 28.236 39.840 20.982 1.00 49.91 H new ATOM 0 HD11 LEU A 8 27.421 39.785 23.302 1.00 49.73 H new ATOM 0 HD12 LEU A 8 28.980 40.636 23.180 1.00 49.73 H new ATOM 0 HD13 LEU A 8 27.472 41.563 23.364 1.00 49.73 H new ATOM 0 HD21 LEU A 8 25.808 39.867 21.401 1.00 49.73 H new ATOM 0 HD22 LEU A 8 25.830 41.646 21.420 1.00 49.73 H new ATOM 0 HD23 LEU A 8 26.220 40.768 19.922 1.00 49.73 H new ATOM 145 N THR A 9 30.097 43.411 18.027 1.00 49.53 N ATOM 146 CA THR A 9 30.653 44.753 17.641 1.00 50.07 C ATOM 147 C THR A 9 30.026 45.357 16.422 1.00 50.51 C ATOM 148 O THR A 9 30.086 46.579 16.191 1.00 49.49 O ATOM 149 CB THR A 9 32.175 44.675 17.418 1.00 50.14 C ATOM 150 OG1 THR A 9 32.852 44.807 18.675 1.00 49.34 O ATOM 151 CG2 THR A 9 32.633 45.782 16.480 1.00 49.73 C ATOM 0 H THR A 9 30.525 42.588 17.602 1.00 49.53 H new ATOM 0 HA THR A 9 30.413 45.402 18.484 1.00 50.07 H new ATOM 0 HB THR A 9 32.413 43.711 16.969 1.00 50.14 H new ATOM 0 HG1 THR A 9 33.820 44.755 18.532 1.00 49.34 H new ATOM 0 HG21 THR A 9 33.711 45.712 16.333 1.00 49.73 H new ATOM 0 HG22 THR A 9 32.129 45.677 15.519 1.00 49.73 H new ATOM 0 HG23 THR A 9 32.388 46.751 16.914 1.00 49.73 H new ATOM 159 N GLY A 10 29.480 44.557 15.559 1.00 49.53 N ATOM 160 CA GLY A 10 28.835 45.001 14.343 1.00 49.98 C ATOM 161 C GLY A 10 29.442 44.194 13.234 1.00 50.51 C ATOM 162 O GLY A 10 29.275 44.533 12.042 1.00 49.49 O ATOM 0 H GLY A 10 29.466 43.544 15.677 1.00 49.53 H new ATOM 0 HA2 GLY A 10 27.757 44.845 14.394 1.00 49.98 H new ATOM 0 HA3 GLY A 10 28.996 46.067 14.183 1.00 49.98 H new ATOM 166 N LYS A 11 30.125 43.138 13.592 1.00 49.53 N ATOM 167 CA LYS A 11 30.681 42.200 12.625 1.00 50.07 C ATOM 168 C LYS A 11 29.806 40.960 12.331 1.00 50.51 C ATOM 169 O LYS A 11 29.580 40.205 13.272 1.00 49.49 O ATOM 170 CB LYS A 11 32.067 41.745 13.081 1.00 49.82 C ATOM 171 CG LYS A 11 32.868 41.007 12.017 1.00 49.82 C ATOM 172 CD LYS A 11 34.260 40.653 12.519 1.00 49.82 C ATOM 173 CE LYS A 11 35.060 39.912 11.457 1.00 50.21 C ATOM 174 NZ LYS A 11 36.424 39.557 11.935 1.00 49.70 N ATOM 0 H LYS A 11 30.317 42.895 14.564 1.00 49.53 H new ATOM 0 HA LYS A 11 30.730 42.754 11.688 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.634 42.618 13.405 1.00 49.82 H new ATOM 0 HB3 LYS A 11 31.956 41.096 13.950 1.00 49.82 H new ATOM 0 HG2 LYS A 11 32.341 40.098 11.728 1.00 49.82 H new ATOM 0 HG3 LYS A 11 32.948 41.627 11.124 1.00 49.82 H new ATOM 0 HD2 LYS A 11 34.788 41.563 12.806 1.00 49.82 H new ATOM 0 HD3 LYS A 11 34.180 40.035 13.414 1.00 49.82 H new ATOM 0 HE2 LYS A 11 34.529 39.005 11.170 1.00 50.21 H new ATOM 0 HE3 LYS A 11 35.138 40.532 10.564 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 36.814 38.799 11.340 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 37.040 40.393 11.879 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 36.372 39.231 12.921 1.00 49.70 H new ATOM 188 N THR A 12 29.419 40.798 11.080 1.00 49.53 N ATOM 189 CA THR A 12 28.656 39.578 10.751 1.00 50.07 C ATOM 190 C THR A 12 29.495 38.841 9.710 1.00 50.51 C ATOM 191 O THR A 12 29.506 39.322 8.575 1.00 49.49 O ATOM 192 CB THR A 12 27.262 39.895 10.178 1.00 50.14 C ATOM 193 OG1 THR A 12 26.548 40.741 11.090 1.00 49.34 O ATOM 194 CG2 THR A 12 26.472 38.614 9.957 1.00 49.73 C ATOM 0 H THR A 12 29.598 41.441 10.309 1.00 49.53 H new ATOM 0 HA THR A 12 28.482 38.984 11.648 1.00 50.07 H new ATOM 0 HB THR A 12 27.386 40.403 9.222 1.00 50.14 H new ATOM 0 HG1 THR A 12 25.662 40.943 10.723 1.00 49.34 H new ATOM 0 HG21 THR A 12 25.490 38.858 9.552 1.00 49.73 H new ATOM 0 HG22 THR A 12 27.006 37.974 9.254 1.00 49.73 H new ATOM 0 HG23 THR A 12 26.354 38.091 10.906 1.00 49.73 H new ATOM 202 N ILE A 13 30.092 37.723 10.122 1.00 49.53 N ATOM 203 CA ILE A 13 30.902 37.014 9.088 1.00 50.07 C ATOM 204 C ILE A 13 30.235 35.795 8.513 1.00 50.51 C ATOM 205 O ILE A 13 29.501 35.091 9.233 1.00 49.49 O ATOM 206 CB ILE A 13 32.276 36.603 9.648 1.00 49.91 C ATOM 207 CG1 ILE A 13 32.960 35.608 8.707 1.00 49.82 C ATOM 208 CG2 ILE A 13 32.127 36.009 11.040 1.00 49.73 C ATOM 209 CD1 ILE A 13 34.410 35.346 9.045 1.00 49.73 C ATOM 0 H ILE A 13 30.053 37.310 11.054 1.00 49.53 H new ATOM 0 HA ILE A 13 31.014 37.737 8.280 1.00 50.07 H new ATOM 0 HB ILE A 13 32.901 37.493 9.721 1.00 49.91 H new ATOM 0 HG12 ILE A 13 32.415 34.665 8.732 1.00 49.82 H new ATOM 0 HG13 ILE A 13 32.897 35.985 7.686 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.108 35.724 11.421 1.00 49.73 H new ATOM 0 HG22 ILE A 13 31.680 36.748 11.705 1.00 49.73 H new ATOM 0 HG23 ILE A 13 31.486 35.129 10.993 1.00 49.73 H new ATOM 0 HD11 ILE A 13 34.826 34.632 8.335 1.00 49.73 H new ATOM 0 HD12 ILE A 13 34.971 36.279 8.991 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.481 34.938 10.053 1.00 49.73 H new ATOM 221 N THR A 14 30.456 35.511 7.249 1.00 49.53 N ATOM 222 CA THR A 14 29.822 34.274 6.705 1.00 50.07 C ATOM 223 C THR A 14 30.794 33.123 6.695 1.00 50.51 C ATOM 224 O THR A 14 32.031 33.338 6.600 1.00 49.49 O ATOM 225 CB THR A 14 29.288 34.494 5.276 1.00 50.14 C ATOM 226 OG1 THR A 14 28.289 35.521 5.290 1.00 49.34 O ATOM 227 CG2 THR A 14 28.684 33.209 4.729 1.00 49.73 C ATOM 0 H THR A 14 31.022 36.056 6.599 1.00 49.53 H new ATOM 0 HA THR A 14 28.986 34.034 7.363 1.00 50.07 H new ATOM 0 HB THR A 14 30.117 34.794 4.636 1.00 50.14 H new ATOM 0 HG1 THR A 14 27.433 35.141 5.578 1.00 49.34 H new ATOM 0 HG21 THR A 14 28.312 33.383 3.719 1.00 49.73 H new ATOM 0 HG22 THR A 14 29.446 32.430 4.706 1.00 49.73 H new ATOM 0 HG23 THR A 14 27.861 32.893 5.369 1.00 49.73 H new ATOM 235 N LEU A 15 30.312 31.890 6.719 1.00 49.53 N ATOM 236 CA LEU A 15 31.169 30.725 6.728 1.00 50.07 C ATOM 237 C LEU A 15 30.643 29.624 5.800 1.00 50.51 C ATOM 238 O LEU A 15 29.434 29.440 5.834 1.00 49.49 O ATOM 239 CB LEU A 15 31.315 30.189 8.158 1.00 49.82 C ATOM 240 CG LEU A 15 32.488 29.224 8.377 1.00 49.91 C ATOM 241 CD1 LEU A 15 33.796 30.000 8.446 1.00 49.73 C ATOM 242 CD2 LEU A 15 32.262 28.432 9.656 1.00 49.73 C ATOM 0 H LEU A 15 29.315 31.674 6.733 1.00 49.53 H new ATOM 0 HA LEU A 15 32.147 31.030 6.355 1.00 50.07 H new ATOM 0 HB2 LEU A 15 31.430 31.035 8.836 1.00 49.82 H new ATOM 0 HB3 LEU A 15 30.391 29.681 8.435 1.00 49.82 H new ATOM 0 HG LEU A 15 32.549 28.528 7.540 1.00 49.91 H new ATOM 0 HD11 LEU A 15 34.623 29.307 8.602 1.00 49.73 H new ATOM 0 HD12 LEU A 15 33.947 30.542 7.512 1.00 49.73 H new ATOM 0 HD13 LEU A 15 33.756 30.708 9.274 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.095 27.747 9.812 1.00 49.73 H new ATOM 0 HD22 LEU A 15 32.193 29.117 10.501 1.00 49.73 H new ATOM 0 HD23 LEU A 15 31.335 27.864 9.573 1.00 49.73 H new ATOM 254 N GLU A 16 31.559 28.987 5.111 1.00 49.53 N ATOM 255 CA GLU A 16 31.111 27.811 4.295 1.00 50.07 C ATOM 256 C GLU A 16 31.474 26.504 4.964 1.00 50.51 C ATOM 257 O GLU A 16 32.658 26.248 5.173 1.00 49.49 O ATOM 258 CB GLU A 16 31.720 27.870 2.892 1.00 49.82 C ATOM 259 CG GLU A 16 31.217 29.025 2.037 1.00 49.72 C ATOM 260 CD GLU A 16 31.579 28.831 0.591 1.00 50.62 C ATOM 261 OE1 GLU A 16 32.186 27.835 0.279 1.00 49.24 O ATOM 262 OE2 GLU A 16 31.153 29.621 -0.219 1.00 49.24 O ATOM 0 H GLU A 16 32.553 29.214 5.075 1.00 49.53 H new ATOM 0 HA GLU A 16 30.025 27.859 4.214 1.00 50.07 H new ATOM 0 HB2 GLU A 16 32.804 27.946 2.982 1.00 49.82 H new ATOM 0 HB3 GLU A 16 31.508 26.933 2.377 1.00 49.82 H new ATOM 0 HG2 GLU A 16 30.135 29.109 2.135 1.00 49.72 H new ATOM 0 HG3 GLU A 16 31.643 29.961 2.399 1.00 49.72 H new ATOM 269 N VAL A 17 30.413 25.801 5.330 1.00 49.53 N ATOM 270 CA VAL A 17 30.535 24.528 6.033 1.00 50.07 C ATOM 271 C VAL A 17 29.912 23.354 5.265 1.00 50.51 C ATOM 272 O VAL A 17 29.323 23.518 4.171 1.00 49.49 O ATOM 273 CB VAL A 17 29.894 24.601 7.432 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.635 25.601 8.306 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.423 24.975 7.326 1.00 49.73 C ATOM 0 H VAL A 17 29.451 26.091 5.152 1.00 49.53 H new ATOM 0 HA VAL A 17 31.606 24.345 6.120 1.00 50.07 H new ATOM 0 HB VAL A 17 29.967 23.617 7.895 1.00 49.91 H new ATOM 0 HG11 VAL A 17 30.169 25.640 9.290 1.00 49.73 H new ATOM 0 HG12 VAL A 17 31.676 25.293 8.409 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.593 26.588 7.846 1.00 49.73 H new ATOM 0 HG21 VAL A 17 27.987 25.022 8.324 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.329 25.947 6.843 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.898 24.224 6.735 1.00 49.73 H new ATOM 285 N GLU A 18 30.067 22.210 5.895 1.00 49.53 N ATOM 286 CA GLU A 18 29.474 20.950 5.446 1.00 50.07 C ATOM 287 C GLU A 18 28.261 20.715 6.334 1.00 50.51 C ATOM 288 O GLU A 18 28.229 21.120 7.485 1.00 49.49 O ATOM 289 CB GLU A 18 30.471 19.795 5.561 1.00 49.82 C ATOM 290 CG GLU A 18 30.049 18.525 4.837 1.00 49.72 C ATOM 291 CD GLU A 18 31.202 17.571 4.688 1.00 50.62 C ATOM 292 OE1 GLU A 18 31.734 17.153 5.688 1.00 49.24 O ATOM 293 OE2 GLU A 18 31.478 17.172 3.581 1.00 49.24 O ATOM 0 H GLU A 18 30.617 22.118 6.749 1.00 49.53 H new ATOM 0 HA GLU A 18 29.191 21.002 4.395 1.00 50.07 H new ATOM 0 HB2 GLU A 18 31.433 20.121 5.166 1.00 49.82 H new ATOM 0 HB3 GLU A 18 30.621 19.564 6.616 1.00 49.82 H new ATOM 0 HG2 GLU A 18 29.243 18.041 5.388 1.00 49.72 H new ATOM 0 HG3 GLU A 18 29.655 18.779 3.853 1.00 49.72 H new ATOM 300 N PRO A 19 27.252 20.050 5.804 1.00 49.71 N ATOM 301 CA PRO A 19 26.046 19.712 6.561 1.00 50.02 C ATOM 302 C PRO A 19 26.368 18.956 7.827 1.00 50.51 C ATOM 303 O PRO A 19 25.581 18.928 8.784 1.00 49.49 O ATOM 304 CB PRO A 19 25.233 18.836 5.582 1.00 49.82 C ATOM 305 CG PRO A 19 25.657 19.352 4.246 1.00 49.82 C ATOM 306 CD PRO A 19 27.186 19.540 4.411 1.00 50.00 C ATOM 0 HA PRO A 19 25.505 20.598 6.892 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.465 17.777 5.699 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.160 18.946 5.736 1.00 49.82 H new ATOM 0 HG2 PRO A 19 25.421 18.647 3.448 1.00 49.82 H new ATOM 0 HG3 PRO A 19 25.160 20.290 4.000 1.00 49.82 H new ATOM 0 HD2 PRO A 19 27.734 18.606 4.286 1.00 50.00 H new ATOM 0 HD3 PRO A 19 27.596 20.248 3.691 1.00 50.00 H new ATOM 314 N SER A 20 27.506 18.284 7.851 1.00 49.53 N ATOM 315 CA SER A 20 27.871 17.476 9.026 1.00 50.07 C ATOM 316 C SER A 20 29.138 17.786 9.785 1.00 50.51 C ATOM 317 O SER A 20 29.713 16.853 10.373 1.00 49.49 O ATOM 318 CB SER A 20 27.897 16.016 8.620 1.00 50.05 C ATOM 319 OG SER A 20 28.928 15.740 7.711 1.00 49.34 O ATOM 0 H SER A 20 28.188 18.274 7.093 1.00 49.53 H new ATOM 0 HA SER A 20 27.095 17.742 9.744 1.00 50.07 H new ATOM 0 HB2 SER A 20 28.021 15.395 9.508 1.00 50.05 H new ATOM 0 HB3 SER A 20 26.939 15.747 8.174 1.00 50.05 H new ATOM 0 HG SER A 20 28.911 14.789 7.476 1.00 49.34 H new ATOM 325 N ASP A 21 29.632 19.020 9.654 1.00 49.53 N ATOM 326 CA ASP A 21 30.892 19.334 10.378 1.00 50.07 C ATOM 327 C ASP A 21 30.588 19.427 11.851 1.00 50.51 C ATOM 328 O ASP A 21 29.487 19.856 12.250 1.00 49.49 O ATOM 329 CB ASP A 21 31.504 20.642 9.871 1.00 49.72 C ATOM 330 CG ASP A 21 32.990 20.796 10.162 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.610 19.821 10.515 1.00 49.24 O ATOM 332 OD2 ASP A 21 33.525 21.841 9.878 1.00 49.24 O ATOM 0 H ASP A 21 29.226 19.775 9.101 1.00 49.53 H new ATOM 0 HA ASP A 21 31.620 18.543 10.199 1.00 50.07 H new ATOM 0 HB2 ASP A 21 31.348 20.708 8.794 1.00 49.72 H new ATOM 0 HB3 ASP A 21 30.969 21.478 10.322 1.00 49.72 H new ATOM 337 N THR A 22 31.586 19.133 12.666 1.00 49.53 N ATOM 338 CA THR A 22 31.479 19.264 14.100 1.00 50.07 C ATOM 339 C THR A 22 32.089 20.615 14.542 1.00 50.51 C ATOM 340 O THR A 22 33.087 21.052 13.963 1.00 49.49 O ATOM 341 CB THR A 22 32.194 18.115 14.834 1.00 50.14 C ATOM 342 OG1 THR A 22 33.592 18.141 14.521 1.00 49.34 O ATOM 343 CG2 THR A 22 31.611 16.773 14.419 1.00 49.73 C ATOM 0 H THR A 22 32.494 18.796 12.346 1.00 49.53 H new ATOM 0 HA THR A 22 30.422 19.223 14.361 1.00 50.07 H new ATOM 0 HB THR A 22 32.052 18.246 15.907 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.046 17.410 14.990 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.128 15.972 14.948 1.00 49.73 H new ATOM 0 HG22 THR A 22 30.550 16.745 14.667 1.00 49.73 H new ATOM 0 HG23 THR A 22 31.736 16.638 13.345 1.00 49.73 H new ATOM 351 N ILE A 23 31.462 21.158 15.585 1.00 49.53 N ATOM 352 CA ILE A 23 31.952 22.388 16.200 1.00 50.07 C ATOM 353 C ILE A 23 33.473 22.425 16.368 1.00 50.51 C ATOM 354 O ILE A 23 34.138 23.453 16.149 1.00 49.49 O ATOM 355 CB ILE A 23 31.299 22.621 17.574 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.775 22.663 17.440 1.00 49.82 C ATOM 357 CG2 ILE A 23 31.818 23.908 18.198 1.00 49.73 C ATOM 358 CD1 ILE A 23 29.271 23.763 16.534 1.00 49.73 C ATOM 0 H ILE A 23 30.623 20.770 16.017 1.00 49.53 H new ATOM 0 HA ILE A 23 31.674 23.182 15.508 1.00 50.07 H new ATOM 0 HB ILE A 23 31.564 21.791 18.229 1.00 49.91 H new ATOM 0 HG12 ILE A 23 29.427 21.703 17.059 1.00 49.82 H new ATOM 0 HG13 ILE A 23 29.336 22.791 18.430 1.00 49.82 H new ATOM 0 HG21 ILE A 23 31.346 24.058 19.169 1.00 49.73 H new ATOM 0 HG22 ILE A 23 32.898 23.840 18.326 1.00 49.73 H new ATOM 0 HG23 ILE A 23 31.582 24.749 17.546 1.00 49.73 H new ATOM 0 HD11 ILE A 23 28.182 23.728 16.490 1.00 49.73 H new ATOM 0 HD12 ILE A 23 29.587 24.730 16.925 1.00 49.73 H new ATOM 0 HD13 ILE A 23 29.679 23.625 15.533 1.00 49.73 H new ATOM 370 N GLU A 24 34.053 21.290 16.681 1.00 49.53 N ATOM 371 CA GLU A 24 35.547 21.212 16.800 1.00 50.07 C ATOM 372 C GLU A 24 36.259 21.916 15.672 1.00 50.51 C ATOM 373 O GLU A 24 37.126 22.794 15.897 1.00 49.49 O ATOM 374 CB GLU A 24 35.998 19.751 16.867 1.00 49.82 C ATOM 375 CG GLU A 24 35.749 19.076 18.209 1.00 49.72 C ATOM 376 CD GLU A 24 36.862 19.361 19.178 1.00 50.62 C ATOM 377 OE1 GLU A 24 37.849 19.926 18.771 1.00 49.24 O ATOM 378 OE2 GLU A 24 36.682 19.114 20.347 1.00 49.24 O ATOM 0 H GLU A 24 33.559 20.416 16.859 1.00 49.53 H new ATOM 0 HA GLU A 24 35.817 21.726 17.723 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.481 19.188 16.090 1.00 49.82 H new ATOM 0 HB3 GLU A 24 37.063 19.702 16.642 1.00 49.82 H new ATOM 0 HG2 GLU A 24 34.804 19.425 18.624 1.00 49.72 H new ATOM 0 HG3 GLU A 24 35.656 18.000 18.065 1.00 49.72 H new ATOM 385 N ASN A 25 35.949 21.533 14.444 1.00 49.53 N ATOM 386 CA ASN A 25 36.543 22.097 13.225 1.00 50.07 C ATOM 387 C ASN A 25 35.987 23.506 13.032 1.00 50.51 C ATOM 388 O ASN A 25 36.741 24.455 12.733 1.00 49.49 O ATOM 389 CB ASN A 25 36.262 21.235 12.008 1.00 49.82 C ATOM 390 CG ASN A 25 37.226 20.094 11.837 1.00 50.55 C ATOM 391 OD1 ASN A 25 37.021 18.997 12.367 1.00 49.45 O ATOM 392 ND2 ASN A 25 38.317 20.373 11.169 1.00 49.38 N ATOM 0 H ASN A 25 35.261 20.804 14.254 1.00 49.53 H new ATOM 0 HA ASN A 25 37.627 22.130 13.337 1.00 50.07 H new ATOM 0 HB2 ASN A 25 35.251 20.836 12.083 1.00 49.82 H new ATOM 0 HB3 ASN A 25 36.292 21.861 11.116 1.00 49.82 H new ATOM 0 HD21 ASN A 25 39.047 19.668 11.067 1.00 49.38 H new ATOM 0 HD22 ASN A 25 38.437 21.295 10.750 1.00 49.38 H new ATOM 399 N VAL A 26 34.675 23.599 13.192 1.00 49.53 N ATOM 400 CA VAL A 26 34.000 24.887 13.071 1.00 50.07 C ATOM 401 C VAL A 26 34.860 25.950 13.745 1.00 50.51 C ATOM 402 O VAL A 26 35.367 26.872 13.097 1.00 49.49 O ATOM 403 CB VAL A 26 32.602 24.867 13.716 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.959 26.243 13.635 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.718 23.827 13.043 1.00 49.73 C ATOM 0 H VAL A 26 34.062 22.811 13.403 1.00 49.53 H new ATOM 0 HA VAL A 26 33.867 25.109 12.012 1.00 50.07 H new ATOM 0 HB VAL A 26 32.712 24.598 14.767 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.972 26.211 14.095 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.581 26.967 14.161 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.863 26.539 12.590 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.734 23.827 13.512 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.615 24.067 11.985 1.00 49.73 H new ATOM 0 HG23 VAL A 26 32.170 22.841 13.150 1.00 49.73 H new ATOM 415 N LYS A 27 35.053 25.794 15.049 1.00 49.53 N ATOM 416 CA LYS A 27 35.860 26.757 15.813 1.00 50.07 C ATOM 417 C LYS A 27 37.342 26.771 15.479 1.00 50.51 C ATOM 418 O LYS A 27 38.049 27.725 15.891 1.00 49.49 O ATOM 419 CB LYS A 27 35.682 26.510 17.311 1.00 49.82 C ATOM 420 CG LYS A 27 34.324 26.926 17.861 1.00 49.82 C ATOM 421 CD LYS A 27 34.349 27.032 19.378 1.00 49.82 C ATOM 422 CE LYS A 27 34.423 25.657 20.029 1.00 50.21 C ATOM 423 NZ LYS A 27 34.332 25.738 21.511 1.00 49.70 N ATOM 0 H LYS A 27 34.671 25.025 15.599 1.00 49.53 H new ATOM 0 HA LYS A 27 35.483 27.737 15.521 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.832 25.449 17.512 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.460 27.050 17.851 1.00 49.82 H new ATOM 0 HG2 LYS A 27 34.034 27.885 17.432 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.569 26.201 17.558 1.00 49.82 H new ATOM 0 HD2 LYS A 27 35.206 27.630 19.689 1.00 49.82 H new ATOM 0 HD3 LYS A 27 33.455 27.552 19.723 1.00 49.82 H new ATOM 0 HE2 LYS A 27 33.615 25.032 19.650 1.00 50.21 H new ATOM 0 HE3 LYS A 27 35.359 25.173 19.749 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 34.471 24.792 21.920 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 35.066 26.381 21.869 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 33.395 26.098 21.782 1.00 49.70 H new ATOM 437 N ALA A 28 37.837 25.747 14.815 1.00 49.53 N ATOM 438 CA ALA A 28 39.241 25.697 14.386 1.00 50.07 C ATOM 439 C ALA A 28 39.406 26.444 13.076 1.00 50.51 C ATOM 440 O ALA A 28 40.479 27.095 12.832 1.00 49.49 O ATOM 441 CB ALA A 28 39.711 24.237 14.247 1.00 49.73 C ATOM 0 H ALA A 28 37.291 24.926 14.553 1.00 49.53 H new ATOM 0 HA ALA A 28 39.860 26.179 15.142 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.753 24.219 13.928 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.616 23.731 15.208 1.00 49.73 H new ATOM 0 HB3 ALA A 28 39.096 23.726 13.506 1.00 49.73 H new ATOM 447 N LYS A 29 38.414 26.437 12.199 1.00 49.53 N ATOM 448 CA LYS A 29 38.479 27.215 10.945 1.00 50.07 C ATOM 449 C LYS A 29 38.401 28.675 11.430 1.00 50.51 C ATOM 450 O LYS A 29 39.210 29.561 11.060 1.00 49.49 O ATOM 451 CB LYS A 29 37.319 26.873 10.008 1.00 49.82 C ATOM 452 CG LYS A 29 37.374 27.574 8.657 1.00 49.82 C ATOM 453 CD LYS A 29 38.513 27.040 7.802 1.00 49.82 C ATOM 454 CE LYS A 29 38.253 25.606 7.364 1.00 50.21 C ATOM 455 NZ LYS A 29 39.372 25.061 6.549 1.00 49.70 N ATOM 0 H LYS A 29 37.551 25.907 12.321 1.00 49.53 H new ATOM 0 HA LYS A 29 39.378 27.007 10.364 1.00 50.07 H new ATOM 0 HB2 LYS A 29 37.306 25.795 9.844 1.00 49.82 H new ATOM 0 HB3 LYS A 29 36.382 27.132 10.500 1.00 49.82 H new ATOM 0 HG2 LYS A 29 36.428 27.435 8.134 1.00 49.82 H new ATOM 0 HG3 LYS A 29 37.501 28.646 8.806 1.00 49.82 H new ATOM 0 HD2 LYS A 29 38.639 27.673 6.924 1.00 49.82 H new ATOM 0 HD3 LYS A 29 39.445 27.087 8.365 1.00 49.82 H new ATOM 0 HE2 LYS A 29 38.106 24.979 8.244 1.00 50.21 H new ATOM 0 HE3 LYS A 29 37.330 25.565 6.786 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 39.155 24.083 6.271 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 39.496 25.643 5.696 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 40.248 25.076 7.109 1.00 49.70 H new ATOM 469 N ILE A 30 37.451 28.931 12.329 1.00 49.53 N ATOM 470 CA ILE A 30 37.299 30.301 12.855 1.00 50.07 C ATOM 471 C ILE A 30 38.607 30.823 13.468 1.00 50.51 C ATOM 472 O ILE A 30 38.817 32.057 13.519 1.00 49.49 O ATOM 473 CB ILE A 30 36.184 30.377 13.913 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.833 30.017 13.291 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.135 31.764 14.534 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.697 29.959 14.287 1.00 49.73 C ATOM 0 H ILE A 30 36.796 28.244 12.701 1.00 49.53 H new ATOM 0 HA ILE A 30 37.031 30.929 12.005 1.00 50.07 H new ATOM 0 HB ILE A 30 36.403 29.656 14.701 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.591 30.750 12.521 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.918 29.050 12.795 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.341 31.801 15.280 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.091 31.984 15.010 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.938 32.503 13.758 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.773 29.698 13.771 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.915 29.205 15.044 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.583 30.932 14.766 1.00 49.73 H new ATOM 488 N GLN A 31 39.444 29.958 13.981 1.00 49.53 N ATOM 489 CA GLN A 31 40.724 30.469 14.567 1.00 50.07 C ATOM 490 C GLN A 31 41.548 31.116 13.442 1.00 50.51 C ATOM 491 O GLN A 31 42.327 32.088 13.575 1.00 49.49 O ATOM 492 CB GLN A 31 41.517 29.333 15.218 1.00 49.82 C ATOM 493 CG GLN A 31 42.707 29.797 16.041 1.00 49.82 C ATOM 494 CD GLN A 31 43.505 28.639 16.609 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.327 28.375 17.899 1.00 49.45 O flip ATOM 496 NE2 GLN A 31 44.271 27.984 15.895 1.00 49.38 N flip ATOM 0 H GLN A 31 39.306 28.948 14.021 1.00 49.53 H new ATOM 0 HA GLN A 31 40.503 31.204 15.341 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.848 28.759 15.859 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.870 28.658 14.438 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.357 30.412 15.419 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.356 30.428 16.858 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.377 28.222 14.909 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.797 27.205 16.292 1.00 49.38 H new ATOM 505 N ASP A 32 41.428 30.507 12.286 1.00 49.53 N ATOM 506 CA ASP A 32 42.142 31.017 11.092 1.00 50.07 C ATOM 507 C ASP A 32 41.676 32.338 10.522 1.00 50.51 C ATOM 508 O ASP A 32 42.442 33.311 10.326 1.00 49.49 O ATOM 509 CB ASP A 32 42.108 29.959 9.986 1.00 49.72 C ATOM 510 CG ASP A 32 42.847 28.672 10.322 1.00 50.62 C ATOM 511 OD1 ASP A 32 43.400 28.589 11.394 1.00 49.24 O ATOM 512 OD2 ASP A 32 42.723 27.727 9.580 1.00 49.24 O ATOM 0 H ASP A 32 40.861 29.674 12.126 1.00 49.53 H new ATOM 0 HA ASP A 32 43.150 31.218 11.456 1.00 50.07 H new ATOM 0 HB2 ASP A 32 41.069 29.719 9.762 1.00 49.72 H new ATOM 0 HB3 ASP A 32 42.539 30.385 9.080 1.00 49.72 H new ATOM 517 N LYS A 33 40.373 32.446 10.196 1.00 49.53 N ATOM 518 CA LYS A 33 39.956 33.717 9.546 1.00 50.07 C ATOM 519 C LYS A 33 39.756 34.803 10.544 1.00 50.51 C ATOM 520 O LYS A 33 40.347 35.915 10.312 1.00 49.49 O ATOM 521 CB LYS A 33 38.676 33.508 8.736 1.00 49.82 C ATOM 522 CG LYS A 33 38.830 32.570 7.546 1.00 49.82 C ATOM 523 CD LYS A 33 37.524 32.428 6.780 1.00 49.82 C ATOM 524 CE LYS A 33 37.664 31.454 5.620 1.00 50.21 C ATOM 525 NZ LYS A 33 36.368 31.221 4.928 1.00 49.70 N ATOM 0 H LYS A 33 39.647 31.746 10.350 1.00 49.53 H new ATOM 0 HA LYS A 33 40.759 34.021 8.875 1.00 50.07 H new ATOM 0 HB2 LYS A 33 37.903 33.114 9.396 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.326 34.476 8.377 1.00 49.82 H new ATOM 0 HG2 LYS A 33 39.605 32.949 6.880 1.00 49.82 H new ATOM 0 HG3 LYS A 33 39.159 31.590 7.893 1.00 49.82 H new ATOM 0 HD2 LYS A 33 36.741 32.083 7.455 1.00 49.82 H new ATOM 0 HD3 LYS A 33 37.214 33.403 6.403 1.00 49.82 H new ATOM 0 HE2 LYS A 33 38.391 31.842 4.907 1.00 50.21 H new ATOM 0 HE3 LYS A 33 38.054 30.505 5.988 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 36.508 30.552 4.145 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 35.681 30.827 5.602 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 36.008 32.122 4.553 1.00 49.70 H new ATOM 539 N GLU A 34 39.153 34.619 11.685 1.00 49.53 N ATOM 540 CA GLU A 34 38.936 35.637 12.687 1.00 50.07 C ATOM 541 C GLU A 34 40.059 35.833 13.672 1.00 50.51 C ATOM 542 O GLU A 34 40.444 36.977 13.939 1.00 49.49 O ATOM 543 CB GLU A 34 37.642 35.343 13.451 1.00 49.82 C ATOM 544 CG GLU A 34 37.148 36.494 14.317 1.00 49.72 C ATOM 545 CD GLU A 34 35.726 36.278 14.752 1.00 50.62 C ATOM 546 OE1 GLU A 34 35.470 35.305 15.421 1.00 49.24 O ATOM 547 OE2 GLU A 34 34.915 37.141 14.512 1.00 49.24 O ATOM 0 H GLU A 34 38.779 33.711 11.960 1.00 49.53 H new ATOM 0 HA GLU A 34 38.874 36.571 12.128 1.00 50.07 H new ATOM 0 HB2 GLU A 34 36.863 35.083 12.735 1.00 49.82 H new ATOM 0 HB3 GLU A 34 37.798 34.469 14.084 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.788 36.593 15.194 1.00 49.72 H new ATOM 0 HG3 GLU A 34 37.223 37.429 13.761 1.00 49.72 H new ATOM 554 N GLY A 35 40.543 34.760 14.276 1.00 49.53 N ATOM 555 CA GLY A 35 41.662 34.810 15.180 1.00 49.98 C ATOM 556 C GLY A 35 41.163 34.506 16.537 1.00 50.51 C ATOM 557 O GLY A 35 41.877 34.761 17.543 1.00 49.49 O ATOM 0 H GLY A 35 40.160 33.824 14.146 1.00 49.53 H new ATOM 0 HA2 GLY A 35 42.424 34.090 14.884 1.00 49.98 H new ATOM 0 HA3 GLY A 35 42.128 35.795 15.157 1.00 49.98 H new ATOM 561 N ILE A 36 39.972 33.892 16.647 1.00 49.53 N ATOM 562 CA ILE A 36 39.460 33.574 17.989 1.00 50.07 C ATOM 563 C ILE A 36 39.719 32.128 18.378 1.00 50.51 C ATOM 564 O ILE A 36 39.243 31.195 17.707 1.00 49.49 O ATOM 565 CB ILE A 36 37.950 33.857 18.094 1.00 49.91 C ATOM 566 CG1 ILE A 36 37.657 35.323 17.761 1.00 49.82 C ATOM 567 CG2 ILE A 36 37.439 33.511 19.485 1.00 49.73 C ATOM 568 CD1 ILE A 36 38.188 36.299 18.785 1.00 49.73 C ATOM 0 H ILE A 36 39.374 33.618 15.868 1.00 49.53 H new ATOM 0 HA ILE A 36 40.002 34.221 18.679 1.00 50.07 H new ATOM 0 HB ILE A 36 37.429 33.229 17.371 1.00 49.91 H new ATOM 0 HG12 ILE A 36 38.091 35.559 16.789 1.00 49.82 H new ATOM 0 HG13 ILE A 36 36.579 35.457 17.670 1.00 49.82 H new ATOM 0 HG21 ILE A 36 36.370 33.717 19.542 1.00 49.73 H new ATOM 0 HG22 ILE A 36 37.616 32.454 19.685 1.00 49.73 H new ATOM 0 HG23 ILE A 36 37.964 34.114 20.226 1.00 49.73 H new ATOM 0 HD11 ILE A 36 37.942 37.316 18.480 1.00 49.73 H new ATOM 0 HD12 ILE A 36 37.736 36.091 19.755 1.00 49.73 H new ATOM 0 HD13 ILE A 36 39.270 36.195 18.860 1.00 49.73 H new ATOM 580 N PRO A 37 40.447 31.918 19.468 1.00 49.71 N ATOM 581 CA PRO A 37 40.750 30.574 19.989 1.00 50.02 C ATOM 582 C PRO A 37 39.475 29.801 20.266 1.00 50.51 C ATOM 583 O PRO A 37 38.543 30.389 20.876 1.00 49.49 O ATOM 584 CB PRO A 37 41.452 30.939 21.333 1.00 49.82 C ATOM 585 CG PRO A 37 42.129 32.243 21.028 1.00 49.82 C ATOM 586 CD PRO A 37 41.036 33.011 20.299 1.00 50.00 C ATOM 0 HA PRO A 37 41.334 29.950 19.312 1.00 50.02 H new ATOM 0 HB2 PRO A 37 40.734 31.040 22.147 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.169 30.174 21.633 1.00 49.82 H new ATOM 0 HG2 PRO A 37 42.452 32.756 21.934 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.014 32.106 20.407 1.00 49.82 H new ATOM 0 HD2 PRO A 37 40.310 33.449 20.983 1.00 50.00 H new ATOM 0 HD3 PRO A 37 41.434 33.825 19.693 1.00 50.00 H new ATOM 594 N PRO A 38 39.407 28.542 19.909 1.00 49.71 N ATOM 595 CA PRO A 38 38.183 27.759 20.146 1.00 50.02 C ATOM 596 C PRO A 38 37.765 27.724 21.591 1.00 50.51 C ATOM 597 O PRO A 38 36.552 27.665 21.934 1.00 49.49 O ATOM 598 CB PRO A 38 38.506 26.398 19.537 1.00 49.82 C ATOM 599 CG PRO A 38 39.506 26.741 18.437 1.00 49.82 C ATOM 600 CD PRO A 38 40.419 27.748 19.169 1.00 50.00 C ATOM 0 HA PRO A 38 37.300 28.201 19.684 1.00 50.02 H new ATOM 0 HB2 PRO A 38 38.934 25.718 20.273 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.615 25.914 19.136 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.054 25.865 18.090 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.024 27.181 17.564 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.128 27.256 19.835 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.001 28.358 18.478 1.00 50.00 H new ATOM 608 N ASP A 39 38.702 27.762 22.506 1.00 49.53 N ATOM 609 CA ASP A 39 38.371 27.674 23.954 1.00 50.07 C ATOM 610 C ASP A 39 37.834 29.020 24.425 1.00 50.51 C ATOM 611 O ASP A 39 37.197 29.160 25.506 1.00 49.49 O ATOM 612 CB ASP A 39 39.600 27.272 24.772 1.00 49.72 C ATOM 613 CG ASP A 39 40.107 25.863 24.493 1.00 50.62 C ATOM 614 OD1 ASP A 39 39.367 24.933 24.710 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.163 25.736 23.922 1.00 49.24 O ATOM 0 H ASP A 39 39.697 27.852 22.303 1.00 49.53 H new ATOM 0 HA ASP A 39 37.611 26.907 24.100 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.403 27.981 24.571 1.00 49.72 H new ATOM 0 HB3 ASP A 39 39.359 27.355 25.832 1.00 49.72 H new ATOM 620 N GLN A 40 37.979 30.040 23.595 1.00 49.53 N ATOM 621 CA GLN A 40 37.457 31.375 23.972 1.00 50.07 C ATOM 622 C GLN A 40 36.089 31.628 23.311 1.00 50.51 C ATOM 623 O GLN A 40 35.566 32.729 23.437 1.00 49.49 O ATOM 624 CB GLN A 40 38.442 32.473 23.563 1.00 49.82 C ATOM 625 CG GLN A 40 39.709 32.516 24.401 1.00 49.82 C ATOM 626 CD GLN A 40 40.561 33.735 24.099 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.203 34.569 23.262 1.00 49.45 O ATOM 628 NE2 GLN A 40 41.698 33.843 24.777 1.00 49.38 N ATOM 0 H GLN A 40 38.435 29.991 22.684 1.00 49.53 H new ATOM 0 HA GLN A 40 37.335 31.397 25.055 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.716 32.329 22.518 1.00 49.82 H new ATOM 0 HB3 GLN A 40 37.941 33.439 23.632 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.443 32.515 25.458 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.293 31.614 24.219 1.00 49.82 H new ATOM 0 HE21 GLN A 40 41.954 33.130 25.460 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.315 34.639 24.615 1.00 49.38 H new ATOM 637 N GLN A 41 35.565 30.661 22.592 1.00 49.53 N ATOM 638 CA GLN A 41 34.316 30.784 21.879 1.00 50.07 C ATOM 639 C GLN A 41 33.134 30.116 22.554 1.00 50.51 C ATOM 640 O GLN A 41 33.003 28.908 22.677 1.00 49.49 O ATOM 641 CB GLN A 41 34.465 30.222 20.463 1.00 49.82 C ATOM 642 CG GLN A 41 35.443 30.990 19.589 1.00 49.82 C ATOM 643 CD GLN A 41 35.513 30.438 18.178 1.00 50.55 C ATOM 644 OE1 GLN A 41 36.521 29.615 17.915 1.00 49.45 O flip ATOM 645 NE2 GLN A 41 34.668 30.745 17.334 1.00 49.38 N flip ATOM 0 H GLN A 41 36.006 29.747 22.485 1.00 49.53 H new ATOM 0 HA GLN A 41 34.097 31.852 21.862 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.791 29.184 20.528 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.488 30.220 19.980 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.147 32.038 19.552 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.435 30.954 20.040 1.00 49.82 H new ATOM 0 HE21 GLN A 41 33.910 31.381 17.580 1.00 49.38 H new ATOM 0 HE22 GLN A 41 34.727 30.363 16.390 1.00 49.38 H new ATOM 654 N ARG A 42 32.147 30.945 22.887 1.00 49.53 N ATOM 655 CA ARG A 42 30.840 30.429 23.401 1.00 50.07 C ATOM 656 C ARG A 42 29.843 30.497 22.264 1.00 50.51 C ATOM 657 O ARG A 42 29.650 31.660 21.727 1.00 49.49 O ATOM 658 CB ARG A 42 30.355 31.177 24.634 1.00 49.82 C ATOM 659 CG ARG A 42 31.325 31.176 25.805 1.00 49.82 C ATOM 660 CD ARG A 42 31.050 32.215 26.829 1.00 50.20 C ATOM 661 NE ARG A 42 29.803 32.032 27.554 1.00 49.30 N ATOM 662 CZ ARG A 42 29.277 32.930 28.410 1.00 50.64 C ATOM 663 NH1 ARG A 42 29.903 34.055 28.681 1.00 49.20 N ATOM 664 NH2 ARG A 42 28.125 32.640 28.989 1.00 49.20 N ATOM 0 H ARG A 42 32.205 31.961 22.819 1.00 49.53 H new ATOM 0 HA ARG A 42 30.961 29.398 23.733 1.00 50.07 H new ATOM 0 HB2 ARG A 42 30.145 32.210 24.356 1.00 49.82 H new ATOM 0 HB3 ARG A 42 29.413 30.737 24.961 1.00 49.82 H new ATOM 0 HG2 ARG A 42 31.298 30.196 26.282 1.00 49.82 H new ATOM 0 HG3 ARG A 42 32.336 31.317 25.424 1.00 49.82 H new ATOM 0 HD2 ARG A 42 31.873 32.229 27.544 1.00 50.20 H new ATOM 0 HD3 ARG A 42 31.033 33.191 26.343 1.00 50.20 H new ATOM 0 HE ARG A 42 29.290 31.163 27.404 1.00 49.30 H new ATOM 0 HH11 ARG A 42 30.800 34.258 28.241 1.00 49.20 H new ATOM 0 HH12 ARG A 42 29.491 34.724 29.331 1.00 49.20 H new ATOM 0 HH21 ARG A 42 27.659 31.756 28.783 1.00 49.20 H new ATOM 0 HH22 ARG A 42 27.702 33.300 29.642 1.00 49.20 H new ATOM 678 N LEU A 43 29.280 29.374 21.818 1.00 49.53 N ATOM 679 CA LEU A 43 28.341 29.393 20.668 1.00 50.07 C ATOM 680 C LEU A 43 26.901 29.109 21.079 1.00 50.51 C ATOM 681 O LEU A 43 26.649 28.064 21.695 1.00 49.49 O ATOM 682 CB LEU A 43 28.794 28.386 19.605 1.00 49.82 C ATOM 683 CG LEU A 43 30.258 28.514 19.166 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.605 27.409 18.177 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.485 29.883 18.545 1.00 49.73 C ATOM 0 H LEU A 43 29.445 28.450 22.218 1.00 49.53 H new ATOM 0 HA LEU A 43 28.361 30.402 20.255 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.634 27.379 19.990 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.157 28.497 18.727 1.00 49.82 H new ATOM 0 HG LEU A 43 30.908 28.411 20.035 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.646 27.508 17.871 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.457 26.438 18.650 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.961 27.489 17.302 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.526 29.973 18.233 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.835 30.002 17.678 1.00 49.73 H new ATOM 0 HD23 LEU A 43 30.257 30.657 19.278 1.00 49.73 H new ATOM 697 N ILE A 44 26.022 30.071 20.816 1.00 49.53 N ATOM 698 CA ILE A 44 24.614 29.985 21.187 1.00 50.07 C ATOM 699 C ILE A 44 23.676 29.876 19.992 1.00 50.51 C ATOM 700 O ILE A 44 23.761 30.610 19.029 1.00 49.49 O ATOM 701 CB ILE A 44 24.190 31.195 22.039 1.00 49.91 C ATOM 702 CG1 ILE A 44 24.895 31.166 23.397 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.680 31.214 22.220 1.00 49.73 C ATOM 704 CD1 ILE A 44 24.708 32.426 24.210 1.00 49.73 C ATOM 0 H ILE A 44 26.268 30.937 20.337 1.00 49.53 H new ATOM 0 HA ILE A 44 24.526 29.065 21.765 1.00 50.07 H new ATOM 0 HB ILE A 44 24.485 32.106 21.518 1.00 49.91 H new ATOM 0 HG12 ILE A 44 24.523 30.317 23.970 1.00 49.82 H new ATOM 0 HG13 ILE A 44 25.961 31.002 23.239 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.397 32.076 22.825 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.197 31.281 21.245 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.362 30.299 22.720 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.237 32.329 25.158 1.00 49.73 H new ATOM 0 HD12 ILE A 44 25.106 33.278 23.658 1.00 49.73 H new ATOM 0 HD13 ILE A 44 23.646 32.582 24.401 1.00 49.73 H new ATOM 716 N PHE A 45 22.740 28.895 20.096 1.00 49.53 N ATOM 717 CA PHE A 45 21.722 28.688 19.054 1.00 50.07 C ATOM 718 C PHE A 45 20.392 28.810 19.820 1.00 50.51 C ATOM 719 O PHE A 45 19.967 27.915 20.549 1.00 49.49 O ATOM 720 CB PHE A 45 21.865 27.314 18.396 1.00 49.82 C ATOM 721 CG PHE A 45 21.107 27.178 17.106 1.00 50.00 C ATOM 722 CD1 PHE A 45 21.176 28.169 16.137 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.324 26.061 16.858 1.00 49.88 C ATOM 724 CE1 PHE A 45 20.479 28.045 14.949 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.628 25.934 15.672 1.00 49.88 C ATOM 726 CZ PHE A 45 19.705 26.928 14.717 1.00 49.88 C ATOM 0 H PHE A 45 22.677 28.248 20.882 1.00 49.53 H new ATOM 0 HA PHE A 45 21.805 29.403 18.236 1.00 50.07 H new ATOM 0 HB2 PHE A 45 22.921 27.119 18.208 1.00 49.82 H new ATOM 0 HB3 PHE A 45 21.519 26.550 19.092 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.781 29.047 16.313 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.258 25.281 17.602 1.00 49.88 H new ATOM 0 HE1 PHE A 45 20.541 28.823 14.203 1.00 49.88 H new ATOM 0 HE2 PHE A 45 19.024 25.057 15.492 1.00 49.88 H new ATOM 0 HZ PHE A 45 19.160 26.831 13.790 1.00 49.88 H new ATOM 736 N ALA A 46 19.834 29.986 19.658 1.00 49.53 N ATOM 737 CA ALA A 46 18.526 30.347 20.239 1.00 50.07 C ATOM 738 C ALA A 46 18.397 30.084 21.731 1.00 50.51 C ATOM 739 O ALA A 46 17.335 29.693 22.238 1.00 49.49 O ATOM 740 CB ALA A 46 17.432 29.640 19.503 1.00 49.73 C ATOM 0 H ALA A 46 20.264 30.737 19.118 1.00 49.53 H new ATOM 0 HA ALA A 46 18.441 31.427 20.123 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.469 29.910 19.936 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.452 29.932 18.453 1.00 49.73 H new ATOM 0 HB3 ALA A 46 17.577 28.563 19.583 1.00 49.73 H new ATOM 746 N GLY A 47 19.499 30.251 22.403 1.00 49.53 N ATOM 747 CA GLY A 47 19.722 30.079 23.807 1.00 49.98 C ATOM 748 C GLY A 47 20.249 28.713 24.163 1.00 50.51 C ATOM 749 O GLY A 47 20.037 28.247 25.305 1.00 49.49 O ATOM 0 H GLY A 47 20.354 30.542 21.928 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.428 30.834 24.151 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.787 30.251 24.340 1.00 49.98 H new ATOM 753 N LYS A 48 20.961 28.078 23.273 1.00 49.53 N ATOM 754 CA LYS A 48 21.563 26.764 23.535 1.00 50.07 C ATOM 755 C LYS A 48 23.086 26.687 23.315 1.00 50.51 C ATOM 756 O LYS A 48 23.512 26.779 22.174 1.00 49.49 O ATOM 757 CB LYS A 48 20.875 25.698 22.682 1.00 49.82 C ATOM 758 CG LYS A 48 19.415 25.452 23.041 1.00 49.82 C ATOM 759 CD LYS A 48 18.710 24.638 21.966 1.00 49.82 C ATOM 760 CE LYS A 48 17.243 24.426 22.304 1.00 50.21 C ATOM 761 NZ LYS A 48 16.535 23.652 21.250 1.00 49.70 N ATOM 0 H LYS A 48 21.151 28.442 22.339 1.00 49.53 H new ATOM 0 HA LYS A 48 21.407 26.586 24.599 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.934 25.994 21.635 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.424 24.761 22.780 1.00 49.82 H new ATOM 0 HG2 LYS A 48 19.356 24.927 23.994 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.905 26.406 23.171 1.00 49.82 H new ATOM 0 HD2 LYS A 48 18.794 25.149 21.007 1.00 49.82 H new ATOM 0 HD3 LYS A 48 19.203 23.672 21.857 1.00 49.82 H new ATOM 0 HE2 LYS A 48 17.162 23.901 23.256 1.00 50.21 H new ATOM 0 HE3 LYS A 48 16.757 25.393 22.432 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 15.538 23.530 21.520 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 16.589 24.165 20.347 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 16.982 22.719 21.145 1.00 49.70 H new ATOM 775 N GLN A 49 23.844 26.512 24.365 1.00 49.53 N ATOM 776 CA GLN A 49 25.311 26.309 24.203 1.00 50.07 C ATOM 777 C GLN A 49 25.760 25.129 23.345 1.00 50.51 C ATOM 778 O GLN A 49 25.443 23.967 23.709 1.00 49.49 O ATOM 779 CB GLN A 49 25.965 26.185 25.582 1.00 49.82 C ATOM 780 CG GLN A 49 27.413 25.723 25.545 1.00 49.82 C ATOM 781 CD GLN A 49 28.065 25.756 26.914 1.00 50.55 C ATOM 782 OE1 GLN A 49 27.456 26.187 27.898 1.00 49.45 O ATOM 783 NE2 GLN A 49 29.312 25.304 26.985 1.00 49.38 N ATOM 0 H GLN A 49 23.509 26.501 25.328 1.00 49.53 H new ATOM 0 HA GLN A 49 25.635 27.192 23.653 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.916 27.152 26.083 1.00 49.82 H new ATOM 0 HB3 GLN A 49 25.387 25.484 26.184 1.00 49.82 H new ATOM 0 HG2 GLN A 49 27.458 24.709 25.148 1.00 49.82 H new ATOM 0 HG3 GLN A 49 27.977 26.358 24.862 1.00 49.82 H new ATOM 0 HE21 GLN A 49 29.777 24.957 26.146 1.00 49.38 H new ATOM 0 HE22 GLN A 49 29.804 25.304 27.878 1.00 49.38 H new ATOM 792 N LEU A 50 26.375 25.391 22.217 1.00 49.53 N ATOM 793 CA LEU A 50 26.772 24.333 21.272 1.00 50.07 C ATOM 794 C LEU A 50 27.826 23.398 21.839 1.00 50.51 C ATOM 795 O LEU A 50 28.525 23.813 22.741 1.00 49.49 O ATOM 796 CB LEU A 50 27.274 24.961 19.966 1.00 49.82 C ATOM 797 CG LEU A 50 26.213 25.716 19.154 1.00 49.91 C ATOM 798 CD1 LEU A 50 26.804 26.183 17.831 1.00 49.73 C ATOM 799 CD2 LEU A 50 25.013 24.811 18.920 1.00 49.73 C ATOM 0 H LEU A 50 26.621 26.333 21.914 1.00 49.53 H new ATOM 0 HA LEU A 50 25.885 23.729 21.079 1.00 50.07 H new ATOM 0 HB2 LEU A 50 28.086 25.649 20.201 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.694 24.173 19.341 1.00 49.82 H new ATOM 0 HG LEU A 50 25.886 26.595 19.710 1.00 49.91 H new ATOM 0 HD11 LEU A 50 26.044 26.718 17.262 1.00 49.73 H new ATOM 0 HD12 LEU A 50 27.647 26.847 18.023 1.00 49.73 H new ATOM 0 HD13 LEU A 50 27.145 25.319 17.260 1.00 49.73 H new ATOM 0 HD21 LEU A 50 24.260 25.348 18.343 1.00 49.73 H new ATOM 0 HD22 LEU A 50 25.328 23.924 18.370 1.00 49.73 H new ATOM 0 HD23 LEU A 50 24.590 24.512 19.879 1.00 49.73 H new ATOM 811 N GLU A 51 27.823 22.137 21.403 1.00 49.53 N ATOM 812 CA GLU A 51 28.784 21.152 21.944 1.00 50.07 C ATOM 813 C GLU A 51 29.840 20.815 20.927 1.00 50.51 C ATOM 814 O GLU A 51 29.503 20.590 19.767 1.00 49.49 O ATOM 815 CB GLU A 51 28.057 19.882 22.391 1.00 49.82 C ATOM 816 CG GLU A 51 28.909 18.926 23.213 1.00 49.72 C ATOM 817 CD GLU A 51 28.070 17.844 23.834 1.00 50.62 C ATOM 818 OE1 GLU A 51 26.878 17.861 23.647 1.00 49.24 O ATOM 819 OE2 GLU A 51 28.632 16.936 24.401 1.00 49.24 O ATOM 0 H GLU A 51 27.186 21.772 20.695 1.00 49.53 H new ATOM 0 HA GLU A 51 29.272 21.600 22.810 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.183 20.166 22.977 1.00 49.82 H new ATOM 0 HB3 GLU A 51 27.692 19.357 21.508 1.00 49.82 H new ATOM 0 HG2 GLU A 51 29.673 18.478 22.577 1.00 49.72 H new ATOM 0 HG3 GLU A 51 29.430 19.479 23.995 1.00 49.72 H new ATOM 826 N ASP A 52 31.097 20.763 21.290 1.00 49.53 N ATOM 827 CA ASP A 52 32.238 20.536 20.409 1.00 50.07 C ATOM 828 C ASP A 52 32.068 19.284 19.565 1.00 50.51 C ATOM 829 O ASP A 52 32.109 19.394 18.307 1.00 49.49 O ATOM 830 CB ASP A 52 33.531 20.442 21.225 1.00 49.72 C ATOM 831 CG ASP A 52 33.938 21.741 21.907 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.102 22.348 22.534 1.00 49.24 O ATOM 833 OD2 ASP A 52 35.110 22.034 21.930 1.00 49.24 O ATOM 0 H ASP A 52 31.378 20.884 22.263 1.00 49.53 H new ATOM 0 HA ASP A 52 32.296 21.388 19.731 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.412 19.669 21.984 1.00 49.72 H new ATOM 0 HB3 ASP A 52 34.339 20.122 20.567 1.00 49.72 H new ATOM 838 N GLY A 53 32.008 18.128 20.188 1.00 49.53 N ATOM 839 CA GLY A 53 31.903 16.822 19.511 1.00 49.98 C ATOM 840 C GLY A 53 30.603 16.486 18.860 1.00 50.51 C ATOM 841 O GLY A 53 30.496 15.477 18.126 1.00 49.49 O ATOM 0 H GLY A 53 32.030 18.051 21.205 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.682 16.774 18.751 1.00 49.98 H new ATOM 0 HA3 GLY A 53 32.123 16.045 20.243 1.00 49.98 H new ATOM 845 N ARG A 54 29.559 17.284 19.049 1.00 49.53 N ATOM 846 CA ARG A 54 28.262 17.058 18.377 1.00 50.07 C ATOM 847 C ARG A 54 28.360 17.653 16.979 1.00 50.51 C ATOM 848 O ARG A 54 29.425 18.171 16.582 1.00 49.49 O ATOM 849 CB ARG A 54 27.087 17.622 19.161 1.00 49.82 C ATOM 850 CG ARG A 54 26.884 17.010 20.538 1.00 49.82 C ATOM 851 CD ARG A 54 26.262 15.661 20.523 1.00 50.20 C ATOM 852 NE ARG A 54 27.176 14.579 20.197 1.00 49.30 N ATOM 853 CZ ARG A 54 28.042 14.021 21.066 1.00 50.64 C ATOM 854 NH1 ARG A 54 28.143 14.463 22.300 1.00 49.20 N ATOM 855 NH2 ARG A 54 28.808 13.032 20.637 1.00 49.20 N ATOM 0 H ARG A 54 29.574 18.099 19.662 1.00 49.53 H new ATOM 0 HA ARG A 54 28.064 15.988 18.316 1.00 50.07 H new ATOM 0 HB2 ARG A 54 27.227 18.697 19.274 1.00 49.82 H new ATOM 0 HB3 ARG A 54 26.177 17.479 18.578 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.849 16.946 21.040 1.00 49.82 H new ATOM 0 HG3 ARG A 54 26.260 17.678 21.131 1.00 49.82 H new ATOM 0 HD2 ARG A 54 25.823 15.466 21.502 1.00 50.20 H new ATOM 0 HD3 ARG A 54 25.445 15.659 19.801 1.00 50.20 H new ATOM 0 HE ARG A 54 27.161 14.217 19.244 1.00 49.30 H new ATOM 0 HH11 ARG A 54 27.561 15.240 22.613 1.00 49.20 H new ATOM 0 HH12 ARG A 54 28.804 14.029 22.945 1.00 49.20 H new ATOM 0 HH21 ARG A 54 28.734 12.711 19.672 1.00 49.20 H new ATOM 0 HH22 ARG A 54 29.473 12.590 21.272 1.00 49.20 H new ATOM 869 N THR A 55 27.256 17.675 16.273 1.00 49.53 N ATOM 870 CA THR A 55 27.148 18.270 14.923 1.00 50.07 C ATOM 871 C THR A 55 26.000 19.294 14.762 1.00 50.51 C ATOM 872 O THR A 55 25.021 19.248 15.498 1.00 49.49 O ATOM 873 CB THR A 55 26.979 17.178 13.851 1.00 50.14 C ATOM 874 OG1 THR A 55 25.880 16.326 14.201 1.00 49.34 O ATOM 875 CG2 THR A 55 28.246 16.343 13.736 1.00 49.73 C ATOM 0 H THR A 55 26.379 17.277 16.609 1.00 49.53 H new ATOM 0 HA THR A 55 28.085 18.811 14.788 1.00 50.07 H new ATOM 0 HB THR A 55 26.784 17.659 12.892 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.773 15.633 13.517 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.108 15.576 12.974 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.081 16.986 13.458 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.457 15.868 14.694 1.00 49.73 H new ATOM 883 N LEU A 56 26.138 20.149 13.769 1.00 49.53 N ATOM 884 CA LEU A 56 25.107 21.150 13.442 1.00 50.07 C ATOM 885 C LEU A 56 23.806 20.379 13.235 1.00 50.51 C ATOM 886 O LEU A 56 22.810 20.781 13.774 1.00 49.49 O ATOM 887 CB LEU A 56 25.490 21.940 12.185 1.00 49.82 C ATOM 888 CG LEU A 56 26.792 22.745 12.291 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.147 23.345 10.937 1.00 49.73 C ATOM 890 CD2 LEU A 56 26.631 23.837 13.338 1.00 49.73 C ATOM 0 H LEU A 56 26.957 20.181 13.162 1.00 49.53 H new ATOM 0 HA LEU A 56 25.001 21.881 14.244 1.00 50.07 H new ATOM 0 HB2 LEU A 56 25.579 21.244 11.351 1.00 49.82 H new ATOM 0 HB3 LEU A 56 24.677 22.625 11.944 1.00 49.82 H new ATOM 0 HG LEU A 56 27.604 22.084 12.595 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.072 23.914 11.023 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.279 22.545 10.208 1.00 49.73 H new ATOM 0 HD13 LEU A 56 26.344 24.005 10.610 1.00 49.73 H new ATOM 0 HD21 LEU A 56 27.556 24.408 13.413 1.00 49.73 H new ATOM 0 HD22 LEU A 56 25.817 24.501 13.049 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.405 23.385 14.304 1.00 49.73 H new ATOM 902 N SER A 57 23.883 19.202 12.581 1.00 49.53 N ATOM 903 CA SER A 57 22.617 18.457 12.369 1.00 50.07 C ATOM 904 C SER A 57 22.024 18.109 13.716 1.00 50.51 C ATOM 905 O SER A 57 20.790 18.300 13.940 1.00 49.49 O ATOM 906 CB SER A 57 22.867 17.205 11.549 1.00 50.05 C ATOM 907 OG SER A 57 23.303 17.504 10.251 1.00 49.34 O ATOM 0 H SER A 57 24.732 18.770 12.215 1.00 49.53 H new ATOM 0 HA SER A 57 21.914 19.079 11.815 1.00 50.07 H new ATOM 0 HB2 SER A 57 23.614 16.588 12.049 1.00 50.05 H new ATOM 0 HB3 SER A 57 21.951 16.617 11.497 1.00 50.05 H new ATOM 0 HG SER A 57 24.147 18.000 10.296 1.00 49.34 H new ATOM 913 N ASP A 58 22.853 17.652 14.637 1.00 49.53 N ATOM 914 CA ASP A 58 22.377 17.286 15.998 1.00 50.07 C ATOM 915 C ASP A 58 21.630 18.408 16.725 1.00 50.51 C ATOM 916 O ASP A 58 21.245 18.300 17.893 1.00 49.49 O ATOM 917 CB ASP A 58 23.553 16.813 16.856 1.00 49.72 C ATOM 918 CG ASP A 58 23.975 15.371 16.605 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.244 14.664 15.952 1.00 49.24 O ATOM 920 OD2 ASP A 58 25.088 15.034 16.931 1.00 49.24 O ATOM 0 H ASP A 58 23.853 17.519 14.489 1.00 49.53 H new ATOM 0 HA ASP A 58 21.656 16.482 15.853 1.00 50.07 H new ATOM 0 HB2 ASP A 58 24.406 17.466 16.673 1.00 49.72 H new ATOM 0 HB3 ASP A 58 23.287 16.923 17.907 1.00 49.72 H new ATOM 925 N TYR A 59 21.591 19.546 16.092 1.00 49.53 N ATOM 926 CA TYR A 59 20.919 20.742 16.595 1.00 50.07 C ATOM 927 C TYR A 59 19.854 21.340 15.705 1.00 50.51 C ATOM 928 O TYR A 59 19.385 22.451 16.023 1.00 49.49 O ATOM 929 CB TYR A 59 21.960 21.817 16.919 1.00 49.82 C ATOM 930 CG TYR A 59 23.013 21.373 17.910 1.00 50.00 C ATOM 931 CD1 TYR A 59 22.742 21.344 19.270 1.00 49.88 C ATOM 932 CD2 TYR A 59 24.274 20.984 17.483 1.00 49.88 C ATOM 933 CE1 TYR A 59 23.700 20.940 20.180 1.00 49.88 C ATOM 934 CE2 TYR A 59 25.240 20.577 18.384 1.00 49.88 C ATOM 935 CZ TYR A 59 24.947 20.557 19.732 1.00 50.11 C ATOM 936 OH TYR A 59 25.906 20.153 20.635 1.00 49.46 O ATOM 0 H TYR A 59 22.034 19.686 15.184 1.00 49.53 H new ATOM 0 HA TYR A 59 20.385 20.399 17.481 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.451 22.123 15.995 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.450 22.695 17.315 1.00 49.82 H new ATOM 0 HD1 TYR A 59 21.766 21.642 19.623 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.505 20.999 16.428 1.00 49.88 H new ATOM 0 HE1 TYR A 59 23.474 20.924 21.236 1.00 49.88 H new ATOM 0 HE2 TYR A 59 26.217 20.277 18.035 1.00 49.88 H new ATOM 0 HH TYR A 59 25.472 19.744 21.412 1.00 49.46 H new ATOM 946 N ASN A 60 19.420 20.709 14.634 1.00 49.53 N ATOM 947 CA ASN A 60 18.376 21.330 13.792 1.00 50.07 C ATOM 948 C ASN A 60 18.797 22.662 13.185 1.00 50.51 C ATOM 949 O ASN A 60 17.952 23.475 12.761 1.00 49.49 O ATOM 950 CB ASN A 60 17.083 21.505 14.568 1.00 49.82 C ATOM 951 CG ASN A 60 15.862 21.602 13.697 1.00 50.55 C ATOM 952 OD1 ASN A 60 15.738 20.898 12.687 1.00 49.45 O ATOM 953 ND2 ASN A 60 14.999 22.527 14.033 1.00 49.38 N ATOM 0 H ASN A 60 19.750 19.797 14.319 1.00 49.53 H new ATOM 0 HA ASN A 60 18.217 20.639 12.964 1.00 50.07 H new ATOM 0 HB2 ASN A 60 16.964 20.665 15.252 1.00 49.82 H new ATOM 0 HB3 ASN A 60 17.155 22.405 15.178 1.00 49.82 H new ATOM 0 HD21 ASN A 60 14.178 22.694 13.451 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.147 23.081 14.877 1.00 49.38 H new ATOM 960 N ILE A 61 20.090 22.877 13.060 1.00 49.53 N ATOM 961 CA ILE A 61 20.613 24.109 12.394 1.00 50.07 C ATOM 962 C ILE A 61 20.486 24.161 10.874 1.00 50.51 C ATOM 963 O ILE A 61 21.392 23.548 10.236 1.00 49.49 O ATOM 964 CB ILE A 61 22.090 24.340 12.760 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.222 24.704 14.242 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.690 25.431 11.886 1.00 49.73 C ATOM 967 CD1 ILE A 61 23.623 24.542 14.788 1.00 49.73 C ATOM 0 H ILE A 61 20.811 22.239 13.398 1.00 49.53 H new ATOM 0 HA ILE A 61 19.965 24.896 12.779 1.00 50.07 H new ATOM 0 HB ILE A 61 22.640 23.416 12.582 1.00 49.91 H new ATOM 0 HG12 ILE A 61 21.905 25.737 14.382 1.00 49.82 H new ATOM 0 HG13 ILE A 61 21.542 24.080 14.822 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.735 25.582 12.158 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.627 25.134 10.839 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.139 26.360 12.034 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.637 24.818 15.842 1.00 49.73 H new ATOM 0 HD12 ILE A 61 23.937 23.504 14.681 1.00 49.73 H new ATOM 0 HD13 ILE A 61 24.306 25.187 14.235 1.00 49.73 H new ATOM 979 N GLN A 62 19.448 24.750 10.354 1.00 49.53 N ATOM 980 CA GLN A 62 19.178 24.805 8.886 1.00 50.07 C ATOM 981 C GLN A 62 19.844 26.000 8.200 1.00 50.51 C ATOM 982 O GLN A 62 20.207 26.978 8.878 1.00 49.49 O ATOM 983 CB GLN A 62 17.670 24.845 8.626 1.00 49.82 C ATOM 984 CG GLN A 62 17.029 26.196 8.890 1.00 49.82 C ATOM 985 CD GLN A 62 15.523 26.168 8.706 1.00 50.55 C ATOM 986 OE1 GLN A 62 14.786 25.698 9.577 1.00 49.45 O ATOM 987 NE2 GLN A 62 15.058 26.669 7.567 1.00 49.38 N ATOM 0 H GLN A 62 18.738 25.220 10.916 1.00 49.53 H new ATOM 0 HA GLN A 62 19.611 23.901 8.458 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.484 24.563 7.590 1.00 49.82 H new ATOM 0 HB3 GLN A 62 17.185 24.096 9.252 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.262 26.513 9.906 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.461 26.937 8.218 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.705 27.047 6.875 1.00 49.38 H new ATOM 0 HE22 GLN A 62 14.054 26.675 7.385 1.00 49.38 H new ATOM 996 N LYS A 63 20.034 25.930 6.883 1.00 49.53 N ATOM 997 CA LYS A 63 20.710 26.968 6.136 1.00 50.07 C ATOM 998 C LYS A 63 20.007 28.292 6.420 1.00 50.51 C ATOM 999 O LYS A 63 18.836 28.369 6.759 1.00 49.49 O ATOM 1000 CB LYS A 63 20.695 26.660 4.637 1.00 49.82 C ATOM 1001 CG LYS A 63 21.656 27.507 3.812 1.00 49.82 C ATOM 1002 CD LYS A 63 21.437 27.297 2.321 1.00 49.82 C ATOM 1003 CE LYS A 63 22.417 28.118 1.497 1.00 50.21 C ATOM 1004 NZ LYS A 63 22.214 27.922 0.036 1.00 49.70 N ATOM 0 H LYS A 63 19.719 25.146 6.311 1.00 49.53 H new ATOM 0 HA LYS A 63 21.754 27.025 6.444 1.00 50.07 H new ATOM 0 HB2 LYS A 63 20.940 25.608 4.492 1.00 49.82 H new ATOM 0 HB3 LYS A 63 19.683 26.806 4.258 1.00 49.82 H new ATOM 0 HG2 LYS A 63 21.518 28.560 4.057 1.00 49.82 H new ATOM 0 HG3 LYS A 63 22.684 27.251 4.070 1.00 49.82 H new ATOM 0 HD2 LYS A 63 21.552 26.240 2.080 1.00 49.82 H new ATOM 0 HD3 LYS A 63 20.416 27.575 2.059 1.00 49.82 H new ATOM 0 HE2 LYS A 63 22.301 29.174 1.741 1.00 50.21 H new ATOM 0 HE3 LYS A 63 23.437 27.840 1.762 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 22.901 28.498 -0.490 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 22.350 26.919 -0.202 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 21.249 28.212 -0.222 1.00 49.70 H new ATOM 1018 N GLU A 64 20.817 29.348 6.256 1.00 49.53 N ATOM 1019 CA GLU A 64 20.437 30.724 6.443 1.00 50.07 C ATOM 1020 C GLU A 64 19.943 30.832 7.855 1.00 50.51 C ATOM 1021 O GLU A 64 18.762 31.164 8.128 1.00 49.49 O ATOM 1022 CB GLU A 64 19.351 31.139 5.448 1.00 49.82 C ATOM 1023 CG GLU A 64 19.641 30.758 4.003 1.00 49.72 C ATOM 1024 CD GLU A 64 20.927 31.373 3.524 1.00 50.62 C ATOM 1025 OE1 GLU A 64 21.450 32.219 4.209 1.00 49.24 O ATOM 1026 OE2 GLU A 64 21.445 30.920 2.531 1.00 49.24 O ATOM 0 H GLU A 64 21.793 29.244 5.978 1.00 49.53 H new ATOM 0 HA GLU A 64 21.281 31.391 6.267 1.00 50.07 H new ATOM 0 HB2 GLU A 64 18.407 30.684 5.748 1.00 49.82 H new ATOM 0 HB3 GLU A 64 19.216 32.219 5.506 1.00 49.82 H new ATOM 0 HG2 GLU A 64 19.699 29.673 3.915 1.00 49.72 H new ATOM 0 HG3 GLU A 64 18.819 31.086 3.366 1.00 49.72 H new ATOM 1033 N SER A 65 20.879 30.699 8.782 1.00 49.53 N ATOM 1034 CA SER A 65 20.629 30.880 10.218 1.00 50.07 C ATOM 1035 C SER A 65 21.812 31.556 10.951 1.00 50.51 C ATOM 1036 O SER A 65 22.949 31.116 10.828 1.00 49.49 O ATOM 1037 CB SER A 65 20.317 29.541 10.858 1.00 50.05 C ATOM 1038 OG SER A 65 21.419 28.677 10.836 1.00 49.34 O ATOM 0 H SER A 65 21.846 30.460 8.564 1.00 49.53 H new ATOM 0 HA SER A 65 19.773 31.548 10.314 1.00 50.07 H new ATOM 0 HB2 SER A 65 20.000 29.698 11.889 1.00 50.05 H new ATOM 0 HB3 SER A 65 19.482 29.076 10.335 1.00 50.05 H new ATOM 0 HG SER A 65 21.252 27.950 10.200 1.00 49.34 H new ATOM 1044 N THR A 66 21.527 32.581 11.710 1.00 49.53 N ATOM 1045 CA THR A 66 22.535 33.263 12.531 1.00 50.07 C ATOM 1046 C THR A 66 23.050 32.549 13.779 1.00 50.51 C ATOM 1047 O THR A 66 22.218 31.994 14.532 1.00 49.49 O ATOM 1048 CB THR A 66 22.023 34.650 12.965 1.00 50.14 C ATOM 1049 OG1 THR A 66 20.908 34.495 13.852 1.00 49.34 O ATOM 1050 CG2 THR A 66 21.593 35.462 11.753 1.00 49.73 C ATOM 0 H THR A 66 20.591 32.980 11.788 1.00 49.53 H new ATOM 0 HA THR A 66 23.389 33.303 11.855 1.00 50.07 H new ATOM 0 HB THR A 66 22.830 35.176 13.475 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.999 33.654 14.348 1.00 49.34 H new ATOM 0 HG21 THR A 66 21.234 36.439 12.078 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.442 35.592 11.082 1.00 49.73 H new ATOM 0 HG23 THR A 66 20.794 34.938 11.229 1.00 49.73 H new ATOM 1058 N LEU A 67 24.375 32.469 13.948 1.00 49.53 N ATOM 1059 CA LEU A 67 24.933 31.892 15.177 1.00 50.07 C ATOM 1060 C LEU A 67 25.537 33.050 15.999 1.00 50.51 C ATOM 1061 O LEU A 67 26.137 33.905 15.327 1.00 49.49 O ATOM 1062 CB LEU A 67 25.995 30.836 14.849 1.00 49.82 C ATOM 1063 CG LEU A 67 25.459 29.547 14.212 1.00 49.91 C ATOM 1064 CD1 LEU A 67 25.176 29.774 12.732 1.00 49.73 C ATOM 1065 CD2 LEU A 67 26.472 28.427 14.400 1.00 49.73 C ATOM 0 H LEU A 67 25.066 32.787 13.269 1.00 49.53 H new ATOM 0 HA LEU A 67 24.154 31.389 15.751 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.728 31.278 14.174 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.522 30.577 15.767 1.00 49.82 H new ATOM 0 HG LEU A 67 24.526 29.262 14.699 1.00 49.91 H new ATOM 0 HD11 LEU A 67 24.796 28.853 12.289 1.00 49.73 H new ATOM 0 HD12 LEU A 67 24.433 30.564 12.621 1.00 49.73 H new ATOM 0 HD13 LEU A 67 26.096 30.067 12.226 1.00 49.73 H new ATOM 0 HD21 LEU A 67 26.091 27.512 13.947 1.00 49.73 H new ATOM 0 HD22 LEU A 67 27.412 28.703 13.923 1.00 49.73 H new ATOM 0 HD23 LEU A 67 26.640 28.263 15.464 1.00 49.73 H new ATOM 1077 N HIS A 68 25.338 33.054 17.268 1.00 49.53 N ATOM 1078 CA HIS A 68 25.943 34.124 18.097 1.00 50.07 C ATOM 1079 C HIS A 68 27.315 33.761 18.660 1.00 50.51 C ATOM 1080 O HIS A 68 27.457 32.768 19.405 1.00 49.49 O ATOM 1081 CB HIS A 68 25.002 34.502 19.245 1.00 49.92 C ATOM 1082 CG HIS A 68 23.710 35.106 18.791 1.00 50.22 C ATOM 1083 ND1 HIS A 68 22.794 35.651 19.667 1.00 49.30 N ATOM 1084 CD2 HIS A 68 23.179 35.250 17.554 1.00 49.95 C ATOM 1085 CE1 HIS A 68 21.756 36.105 18.987 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.965 35.873 17.704 1.00 49.64 N ATOM 0 H HIS A 68 24.783 32.366 17.777 1.00 49.53 H new ATOM 0 HA HIS A 68 26.091 34.974 17.430 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.788 33.611 19.836 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.511 35.207 19.903 1.00 49.92 H new ATOM 0 HD2 HIS A 68 23.627 34.934 16.623 1.00 49.95 H new ATOM 0 HE1 HIS A 68 20.885 36.584 19.409 1.00 50.25 H new ATOM 0 HE2 HIS A 68 21.327 36.117 16.946 1.00 49.64 H new ATOM 1094 N LEU A 69 28.313 34.576 18.362 1.00 49.53 N ATOM 1095 CA LEU A 69 29.657 34.384 18.898 1.00 50.07 C ATOM 1096 C LEU A 69 30.028 35.361 19.973 1.00 50.51 C ATOM 1097 O LEU A 69 30.269 36.570 19.621 1.00 49.49 O ATOM 1098 CB LEU A 69 30.683 34.449 17.759 1.00 49.82 C ATOM 1099 CG LEU A 69 32.152 34.479 18.204 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.453 33.278 19.091 1.00 49.73 C ATOM 1101 CD2 LEU A 69 33.054 34.486 16.980 1.00 49.73 C ATOM 0 H LEU A 69 28.220 35.384 17.747 1.00 49.53 H new ATOM 0 HA LEU A 69 29.663 33.400 19.366 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.535 33.587 17.108 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.483 35.338 17.161 1.00 49.82 H new ATOM 0 HG LEU A 69 32.339 35.384 18.781 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.497 33.308 19.402 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.811 33.306 19.972 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.266 32.359 18.535 1.00 49.73 H new ATOM 0 HD21 LEU A 69 34.097 34.507 17.297 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.872 33.588 16.389 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.840 35.368 16.376 1.00 49.73 H new ATOM 1113 N VAL A 70 30.014 34.984 21.209 1.00 49.53 N ATOM 1114 CA VAL A 70 30.477 35.888 22.302 1.00 50.07 C ATOM 1115 C VAL A 70 31.819 35.377 22.848 1.00 50.51 C ATOM 1116 O VAL A 70 31.986 34.144 22.994 1.00 49.49 O ATOM 1117 CB VAL A 70 29.454 35.970 23.450 1.00 49.91 C ATOM 1118 CG1 VAL A 70 30.045 36.719 24.636 1.00 49.73 C ATOM 1119 CG2 VAL A 70 28.176 36.645 22.978 1.00 49.73 C ATOM 0 H VAL A 70 29.695 34.068 21.524 1.00 49.53 H new ATOM 0 HA VAL A 70 30.591 36.889 21.886 1.00 50.07 H new ATOM 0 HB VAL A 70 29.210 34.956 23.768 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.309 36.768 25.439 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.934 36.197 24.990 1.00 49.73 H new ATOM 0 HG13 VAL A 70 30.316 37.729 24.330 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.465 36.694 23.802 1.00 49.73 H new ATOM 0 HG22 VAL A 70 28.403 37.654 22.634 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.743 36.071 22.159 1.00 49.73 H new ATOM 1129 N LEU A 71 32.742 36.268 23.123 1.00 49.53 N ATOM 1130 CA LEU A 71 34.051 35.864 23.684 1.00 50.07 C ATOM 1131 C LEU A 71 34.089 35.472 25.138 1.00 50.51 C ATOM 1132 O LEU A 71 33.351 36.029 25.976 1.00 49.49 O ATOM 1133 CB LEU A 71 35.071 36.983 23.440 1.00 49.82 C ATOM 1134 CG LEU A 71 35.761 36.948 22.070 1.00 49.91 C ATOM 1135 CD1 LEU A 71 34.722 37.037 20.960 1.00 49.73 C ATOM 1136 CD2 LEU A 71 36.755 38.096 21.972 1.00 49.73 C ATOM 0 H LEU A 71 32.633 37.272 22.977 1.00 49.53 H new ATOM 0 HA LEU A 71 34.292 34.943 23.154 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.567 37.943 23.551 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.835 36.932 24.216 1.00 49.82 H new ATOM 0 HG LEU A 71 36.300 36.007 21.958 1.00 49.91 H new ATOM 0 HD11 LEU A 71 35.221 37.011 19.991 1.00 49.73 H new ATOM 0 HD12 LEU A 71 34.035 36.194 21.036 1.00 49.73 H new ATOM 0 HD13 LEU A 71 34.165 37.969 21.057 1.00 49.73 H new ATOM 0 HD21 LEU A 71 37.245 38.071 20.999 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.229 39.044 22.089 1.00 49.73 H new ATOM 0 HD23 LEU A 71 37.504 37.997 22.758 1.00 49.73 H new ATOM 1148 N ARG A 72 34.940 34.582 25.486 1.00 49.53 N ATOM 1149 CA ARG A 72 35.135 34.139 26.883 1.00 50.07 C ATOM 1150 C ARG A 72 36.648 34.166 27.087 1.00 50.51 C ATOM 1151 O ARG A 72 37.210 33.051 26.844 1.00 49.49 O ATOM 1152 CB ARG A 72 34.526 32.774 27.170 1.00 49.82 C ATOM 1153 CG ARG A 72 34.505 32.379 28.638 1.00 49.82 C ATOM 1154 CD ARG A 72 33.865 31.066 28.909 1.00 50.20 C ATOM 1155 NE ARG A 72 33.783 30.716 30.317 1.00 49.30 N ATOM 1156 CZ ARG A 72 34.761 30.103 31.012 1.00 50.64 C ATOM 1157 NH1 ARG A 72 35.880 29.737 30.427 1.00 49.20 N ATOM 1158 NH2 ARG A 72 34.556 29.856 32.295 1.00 49.20 N ATOM 0 H ARG A 72 35.551 34.109 24.821 1.00 49.53 H new ATOM 0 HA ARG A 72 34.618 34.793 27.585 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.504 32.761 26.790 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.082 32.020 26.614 1.00 49.82 H new ATOM 0 HG2 ARG A 72 35.529 32.354 29.010 1.00 49.82 H new ATOM 0 HG3 ARG A 72 33.979 33.150 29.202 1.00 49.82 H new ATOM 0 HD2 ARG A 72 32.859 31.073 28.490 1.00 50.20 H new ATOM 0 HD3 ARG A 72 34.423 30.289 28.386 1.00 50.20 H new ATOM 0 HE ARG A 72 32.924 30.951 30.814 1.00 49.30 H new ATOM 0 HH11 ARG A 72 36.018 29.916 29.432 1.00 49.20 H new ATOM 0 HH12 ARG A 72 36.610 29.274 30.968 1.00 49.20 H new ATOM 0 HH21 ARG A 72 33.676 30.128 32.732 1.00 49.20 H new ATOM 0 HH22 ARG A 72 35.278 29.393 32.847 1.00 49.20 H new ATOM 1172 N LEU A 73 37.245 35.246 27.470 1.00 49.53 N ATOM 1173 CA LEU A 73 38.719 35.257 27.649 1.00 50.07 C ATOM 1174 C LEU A 73 39.007 34.604 28.993 1.00 50.51 C ATOM 1175 O LEU A 73 38.110 34.442 29.835 1.00 49.49 O ATOM 1176 CB LEU A 73 39.264 36.690 27.601 1.00 49.82 C ATOM 1177 CG LEU A 73 38.866 37.500 26.360 1.00 49.91 C ATOM 1178 CD1 LEU A 73 39.389 38.925 26.477 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.416 36.823 25.114 1.00 49.73 C ATOM 0 H LEU A 73 36.777 36.130 27.669 1.00 49.53 H new ATOM 0 HA LEU A 73 39.212 34.710 26.845 1.00 50.07 H new ATOM 0 HB2 LEU A 73 38.920 37.222 28.488 1.00 49.82 H new ATOM 0 HB3 LEU A 73 40.352 36.650 27.655 1.00 49.82 H new ATOM 0 HG LEU A 73 37.779 37.542 26.285 1.00 49.91 H new ATOM 0 HD11 LEU A 73 39.102 39.492 25.592 1.00 49.73 H new ATOM 0 HD12 LEU A 73 38.965 39.397 27.363 1.00 49.73 H new ATOM 0 HD13 LEU A 73 40.476 38.908 26.560 1.00 49.73 H new ATOM 0 HD21 LEU A 73 39.133 37.398 24.232 1.00 49.73 H new ATOM 0 HD22 LEU A 73 40.503 36.769 25.179 1.00 49.73 H new ATOM 0 HD23 LEU A 73 39.007 35.816 25.036 1.00 49.73 H new ATOM 1191 N ARG A 74 40.283 34.304 29.178 1.00 49.53 N ATOM 1192 CA ARG A 74 40.769 33.660 30.408 1.00 50.07 C ATOM 1193 C ARG A 74 41.434 34.538 31.465 1.00 50.51 C ATOM 1194 O ARG A 74 42.639 34.400 31.740 1.00 49.49 O ATOM 1195 CB ARG A 74 41.662 32.471 30.083 1.00 49.82 C ATOM 1196 CG ARG A 74 40.942 31.276 29.479 1.00 49.82 C ATOM 1197 CD ARG A 74 41.793 30.070 29.310 1.00 50.20 C ATOM 1198 NE ARG A 74 42.160 29.413 30.554 1.00 49.30 N ATOM 1199 CZ ARG A 74 43.131 28.487 30.672 1.00 50.64 C ATOM 1200 NH1 ARG A 74 43.809 28.078 29.622 1.00 49.20 N ATOM 1201 NH2 ARG A 74 43.370 27.981 31.869 1.00 49.20 N ATOM 0 H ARG A 74 41.013 34.494 28.491 1.00 49.53 H new ATOM 0 HA ARG A 74 39.841 33.349 30.887 1.00 50.07 H new ATOM 0 HB2 ARG A 74 42.438 32.797 29.391 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.163 32.151 30.997 1.00 49.82 H new ATOM 0 HG2 ARG A 74 40.092 31.021 30.112 1.00 49.82 H new ATOM 0 HG3 ARG A 74 40.541 31.562 28.507 1.00 49.82 H new ATOM 0 HD2 ARG A 74 41.267 29.355 28.678 1.00 50.20 H new ATOM 0 HD3 ARG A 74 42.703 30.354 28.781 1.00 50.20 H new ATOM 0 HE ARG A 74 41.646 29.671 31.396 1.00 49.30 H new ATOM 0 HH11 ARG A 74 43.603 28.463 28.700 1.00 49.20 H new ATOM 0 HH12 ARG A 74 44.541 27.376 29.729 1.00 49.20 H new ATOM 0 HH21 ARG A 74 42.825 28.293 32.673 1.00 49.20 H new ATOM 0 HH22 ARG A 74 44.099 27.278 31.989 1.00 49.20 H new ATOM 1215 N GLY A 75 40.637 35.454 32.004 1.00 49.53 N ATOM 1216 CA GLY A 75 41.075 36.381 33.038 1.00 49.98 C ATOM 1217 C GLY A 75 40.117 37.540 33.234 1.00 50.51 C ATOM 1218 O GLY A 75 39.138 37.722 32.491 1.00 49.49 O ATOM 0 H GLY A 75 39.661 35.574 31.733 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.184 35.843 33.979 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.059 36.770 32.777 1.00 49.98 H new ATOM 1222 N GLY A 76 40.477 38.370 34.196 1.00 49.53 N ATOM 1223 CA GLY A 76 39.735 39.580 34.578 1.00 49.98 C ATOM 1224 C GLY A 76 39.388 39.698 36.071 1.00 50.51 C ATOM 1225 O GLY A 76 38.272 40.184 36.343 1.00 49.49 O ATOM 0 H GLY A 76 41.317 38.225 34.756 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.322 40.452 34.289 1.00 49.98 H new ATOM 0 HA3 GLY A 76 38.809 39.614 34.004 1.00 49.98 H new