USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 596 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0815 (180deg=-0.324) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0593 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00995 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00494 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= -0.43 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0.00676 USER MOD Single : A 36 GLN : amide:sc= -0.101 K(o=-0.1,f=-2.6!) USER MOD Single : A 37 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 39 THR OG1 : rot 70:sc= 0.382 USER MOD Single : A 40 HIS : no HD1:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -1.02 K(o=-1,f=-3.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.039 X(o=-0.039,f=-0.35) USER MOD Single : A 61 GLN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 131:sc= -0.216 (180deg=-1.25) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -47:sc= 0.513 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.740 9.965 15.604 1.00 0.00 N ATOM 2 CA MET A 1 33.179 10.351 15.660 1.00 0.00 C ATOM 3 C MET A 1 33.874 9.926 14.365 1.00 0.00 C ATOM 4 O MET A 1 33.308 9.225 13.549 1.00 0.00 O ATOM 5 CB MET A 1 33.850 9.658 16.848 1.00 0.00 C ATOM 6 CG MET A 1 33.602 8.151 16.769 1.00 0.00 C ATOM 7 SD MET A 1 34.818 7.285 17.794 1.00 0.00 S ATOM 8 CE MET A 1 33.788 5.857 18.215 1.00 0.00 C ATOM 0 H1 MET A 1 31.427 9.656 16.546 1.00 0.00 H new ATOM 0 H2 MET A 1 31.173 10.783 15.301 1.00 0.00 H new ATOM 0 H3 MET A 1 31.615 9.187 14.925 1.00 0.00 H new ATOM 0 HA MET A 1 33.258 11.432 15.778 1.00 0.00 H new ATOM 0 HB2 MET A 1 34.921 9.861 16.843 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.455 10.053 17.784 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.593 7.919 17.109 1.00 0.00 H new ATOM 0 HG3 MET A 1 33.675 7.813 15.735 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.351 5.178 18.855 1.00 0.00 H new ATOM 0 HE2 MET A 1 32.895 6.195 18.741 1.00 0.00 H new ATOM 0 HE3 MET A 1 33.497 5.337 17.302 1.00 0.00 H new ATOM 20 N GLU A 2 35.100 10.349 14.175 1.00 0.00 N ATOM 21 CA GLU A 2 35.850 9.979 12.936 1.00 0.00 C ATOM 22 C GLU A 2 35.079 10.455 11.698 1.00 0.00 C ATOM 23 O GLU A 2 34.952 9.741 10.720 1.00 0.00 O ATOM 24 CB GLU A 2 36.032 8.460 12.880 1.00 0.00 C ATOM 25 CG GLU A 2 36.980 8.019 13.996 1.00 0.00 C ATOM 26 CD GLU A 2 38.422 8.050 13.484 1.00 0.00 C ATOM 27 OE1 GLU A 2 38.774 7.176 12.709 1.00 0.00 O ATOM 28 OE2 GLU A 2 39.149 8.949 13.875 1.00 0.00 O ATOM 0 H GLU A 2 35.615 10.938 14.829 1.00 0.00 H new ATOM 0 HA GLU A 2 36.828 10.459 12.952 1.00 0.00 H new ATOM 0 HB2 GLU A 2 35.068 7.963 12.990 1.00 0.00 H new ATOM 0 HB3 GLU A 2 36.433 8.167 11.910 1.00 0.00 H new ATOM 0 HG2 GLU A 2 36.875 8.678 14.858 1.00 0.00 H new ATOM 0 HG3 GLU A 2 36.723 7.014 14.330 1.00 0.00 H new ATOM 35 N THR A 3 34.570 11.660 11.737 1.00 0.00 N ATOM 36 CA THR A 3 33.811 12.198 10.569 1.00 0.00 C ATOM 37 C THR A 3 34.741 13.075 9.730 1.00 0.00 C ATOM 38 O THR A 3 35.145 12.705 8.644 1.00 0.00 O ATOM 39 CB THR A 3 32.623 13.035 11.062 1.00 0.00 C ATOM 40 OG1 THR A 3 32.884 13.509 12.376 1.00 0.00 O ATOM 41 CG2 THR A 3 31.358 12.173 11.071 1.00 0.00 C ATOM 0 H THR A 3 34.648 12.296 12.530 1.00 0.00 H new ATOM 0 HA THR A 3 33.438 11.371 9.965 1.00 0.00 H new ATOM 0 HB THR A 3 32.479 13.884 10.394 1.00 0.00 H new ATOM 0 HG1 THR A 3 32.125 14.044 12.687 1.00 0.00 H new ATOM 0 HG21 THR A 3 30.515 12.768 11.421 1.00 0.00 H new ATOM 0 HG22 THR A 3 31.155 11.814 10.062 1.00 0.00 H new ATOM 0 HG23 THR A 3 31.503 11.322 11.736 1.00 0.00 H new ATOM 49 N LEU A 4 35.086 14.234 10.231 1.00 0.00 N ATOM 50 CA LEU A 4 35.995 15.142 9.476 1.00 0.00 C ATOM 51 C LEU A 4 37.177 15.530 10.370 1.00 0.00 C ATOM 52 O LEU A 4 37.636 16.657 10.352 1.00 0.00 O ATOM 53 CB LEU A 4 35.227 16.401 9.055 1.00 0.00 C ATOM 54 CG LEU A 4 35.646 16.811 7.641 1.00 0.00 C ATOM 55 CD1 LEU A 4 34.556 17.684 7.017 1.00 0.00 C ATOM 56 CD2 LEU A 4 36.956 17.601 7.704 1.00 0.00 C ATOM 0 H LEU A 4 34.775 14.590 11.135 1.00 0.00 H new ATOM 0 HA LEU A 4 36.365 14.634 8.585 1.00 0.00 H new ATOM 0 HB2 LEU A 4 34.154 16.212 9.086 1.00 0.00 H new ATOM 0 HB3 LEU A 4 35.428 17.213 9.754 1.00 0.00 H new ATOM 0 HG LEU A 4 35.789 15.917 7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 4 34.855 17.975 6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 4 33.623 17.123 6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 4 34.412 18.577 7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 4 37.254 17.893 6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 4 36.814 18.494 8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 4 37.735 16.980 8.147 1.00 0.00 H new ATOM 68 N VAL A 5 37.673 14.602 11.151 1.00 0.00 N ATOM 69 CA VAL A 5 38.826 14.908 12.048 1.00 0.00 C ATOM 70 C VAL A 5 39.763 13.693 12.109 1.00 0.00 C ATOM 71 O VAL A 5 40.150 13.245 13.172 1.00 0.00 O ATOM 72 CB VAL A 5 38.299 15.258 13.450 1.00 0.00 C ATOM 73 CG1 VAL A 5 37.515 14.077 14.033 1.00 0.00 C ATOM 74 CG2 VAL A 5 39.471 15.603 14.376 1.00 0.00 C ATOM 0 H VAL A 5 37.327 13.644 11.205 1.00 0.00 H new ATOM 0 HA VAL A 5 39.385 15.759 11.660 1.00 0.00 H new ATOM 0 HB VAL A 5 37.636 16.119 13.369 1.00 0.00 H new ATOM 0 HG11 VAL A 5 37.148 14.338 15.025 1.00 0.00 H new ATOM 0 HG12 VAL A 5 36.671 13.844 13.384 1.00 0.00 H new ATOM 0 HG13 VAL A 5 38.168 13.207 14.105 1.00 0.00 H new ATOM 0 HG21 VAL A 5 39.091 15.850 15.367 1.00 0.00 H new ATOM 0 HG22 VAL A 5 40.142 14.747 14.448 1.00 0.00 H new ATOM 0 HG23 VAL A 5 40.014 16.458 13.972 1.00 0.00 H new ATOM 84 N GLN A 6 40.127 13.160 10.969 1.00 0.00 N ATOM 85 CA GLN A 6 41.036 11.975 10.943 1.00 0.00 C ATOM 86 C GLN A 6 42.350 12.353 10.253 1.00 0.00 C ATOM 87 O GLN A 6 43.397 12.385 10.872 1.00 0.00 O ATOM 88 CB GLN A 6 40.362 10.833 10.176 1.00 0.00 C ATOM 89 CG GLN A 6 40.911 9.485 10.661 1.00 0.00 C ATOM 90 CD GLN A 6 41.933 8.951 9.655 1.00 0.00 C ATOM 91 OE1 GLN A 6 41.610 8.720 8.507 1.00 0.00 O ATOM 92 NE2 GLN A 6 43.162 8.743 10.041 1.00 0.00 N ATOM 0 H GLN A 6 39.832 13.497 10.052 1.00 0.00 H new ATOM 0 HA GLN A 6 41.244 11.653 11.963 1.00 0.00 H new ATOM 0 HB2 GLN A 6 39.283 10.871 10.324 1.00 0.00 H new ATOM 0 HB3 GLN A 6 40.541 10.945 9.107 1.00 0.00 H new ATOM 0 HG2 GLN A 6 41.377 9.602 11.639 1.00 0.00 H new ATOM 0 HG3 GLN A 6 40.096 8.771 10.779 1.00 0.00 H new ATOM 0 HE21 GLN A 6 43.434 8.937 11.005 1.00 0.00 H new ATOM 0 HE22 GLN A 6 43.851 8.387 9.379 1.00 0.00 H new ATOM 101 N ALA A 7 42.301 12.641 8.975 1.00 0.00 N ATOM 102 CA ALA A 7 43.540 13.019 8.238 1.00 0.00 C ATOM 103 C ALA A 7 43.920 14.459 8.595 1.00 0.00 C ATOM 104 O ALA A 7 43.542 15.394 7.915 1.00 0.00 O ATOM 105 CB ALA A 7 43.292 12.914 6.731 1.00 0.00 C ATOM 0 H ALA A 7 41.451 12.630 8.411 1.00 0.00 H new ATOM 0 HA ALA A 7 44.351 12.346 8.517 1.00 0.00 H new ATOM 0 HB1 ALA A 7 44.199 13.191 6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 7 43.018 11.890 6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 7 42.482 13.587 6.448 1.00 0.00 H new ATOM 111 N ARG A 8 44.653 14.641 9.663 1.00 0.00 N ATOM 112 CA ARG A 8 45.051 16.012 10.081 1.00 0.00 C ATOM 113 C ARG A 8 46.424 16.365 9.503 1.00 0.00 C ATOM 114 O ARG A 8 46.594 17.395 8.879 1.00 0.00 O ATOM 115 CB ARG A 8 45.103 16.082 11.607 1.00 0.00 C ATOM 116 CG ARG A 8 43.710 16.412 12.147 1.00 0.00 C ATOM 117 CD ARG A 8 43.557 15.836 13.555 1.00 0.00 C ATOM 118 NE ARG A 8 43.305 14.370 13.469 1.00 0.00 N ATOM 119 CZ ARG A 8 43.822 13.567 14.358 1.00 0.00 C ATOM 120 NH1 ARG A 8 45.116 13.415 14.423 1.00 0.00 N ATOM 121 NH2 ARG A 8 43.046 12.919 15.184 1.00 0.00 N ATOM 0 H ARG A 8 44.994 13.892 10.265 1.00 0.00 H new ATOM 0 HA ARG A 8 44.318 16.725 9.705 1.00 0.00 H new ATOM 0 HB2 ARG A 8 45.447 15.131 12.014 1.00 0.00 H new ATOM 0 HB3 ARG A 8 45.817 16.842 11.923 1.00 0.00 H new ATOM 0 HG2 ARG A 8 43.563 17.492 12.167 1.00 0.00 H new ATOM 0 HG3 ARG A 8 42.946 15.998 11.489 1.00 0.00 H new ATOM 0 HD2 ARG A 8 44.458 16.027 14.137 1.00 0.00 H new ATOM 0 HD3 ARG A 8 42.733 16.327 14.073 1.00 0.00 H new ATOM 0 HE ARG A 8 42.729 13.994 12.716 1.00 0.00 H new ATOM 0 HH11 ARG A 8 45.722 13.924 13.779 1.00 0.00 H new ATOM 0 HH12 ARG A 8 45.522 12.788 15.117 1.00 0.00 H new ATOM 0 HH21 ARG A 8 42.034 13.040 15.135 1.00 0.00 H new ATOM 0 HH22 ARG A 8 43.451 12.292 15.879 1.00 0.00 H new ATOM 135 N LYS A 9 47.404 15.520 9.708 1.00 0.00 N ATOM 136 CA LYS A 9 48.764 15.805 9.176 1.00 0.00 C ATOM 137 C LYS A 9 49.480 14.490 8.857 1.00 0.00 C ATOM 138 O LYS A 9 50.667 14.350 9.081 1.00 0.00 O ATOM 139 CB LYS A 9 49.569 16.594 10.215 1.00 0.00 C ATOM 140 CG LYS A 9 49.619 15.816 11.540 1.00 0.00 C ATOM 141 CD LYS A 9 49.286 16.754 12.713 1.00 0.00 C ATOM 142 CE LYS A 9 50.326 16.596 13.829 1.00 0.00 C ATOM 143 NZ LYS A 9 50.750 17.943 14.305 1.00 0.00 N ATOM 0 H LYS A 9 47.316 14.644 10.223 1.00 0.00 H new ATOM 0 HA LYS A 9 48.677 16.396 8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 9 50.580 16.769 9.848 1.00 0.00 H new ATOM 0 HB3 LYS A 9 49.114 17.572 10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 9 48.910 14.989 11.513 1.00 0.00 H new ATOM 0 HG3 LYS A 9 50.609 15.383 11.680 1.00 0.00 H new ATOM 0 HD2 LYS A 9 49.267 17.788 12.367 1.00 0.00 H new ATOM 0 HD3 LYS A 9 48.292 16.528 13.098 1.00 0.00 H new ATOM 0 HE2 LYS A 9 49.905 16.022 14.655 1.00 0.00 H new ATOM 0 HE3 LYS A 9 51.188 16.040 13.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 51.455 17.838 15.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 51.167 18.475 13.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 49.924 18.458 14.671 1.00 0.00 H new ATOM 157 N ARG A 10 48.763 13.531 8.329 1.00 0.00 N ATOM 158 CA ARG A 10 49.387 12.225 7.984 1.00 0.00 C ATOM 159 C ARG A 10 48.564 11.542 6.889 1.00 0.00 C ATOM 160 O ARG A 10 47.795 10.635 7.153 1.00 0.00 O ATOM 161 CB ARG A 10 49.435 11.331 9.226 1.00 0.00 C ATOM 162 CG ARG A 10 50.608 11.750 10.117 1.00 0.00 C ATOM 163 CD ARG A 10 51.110 10.537 10.905 1.00 0.00 C ATOM 164 NE ARG A 10 49.992 9.970 11.711 1.00 0.00 N ATOM 165 CZ ARG A 10 50.088 9.919 13.011 1.00 0.00 C ATOM 166 NH1 ARG A 10 50.867 9.035 13.573 1.00 0.00 N ATOM 167 NH2 ARG A 10 49.407 10.751 13.750 1.00 0.00 N ATOM 0 H ARG A 10 47.767 13.600 8.122 1.00 0.00 H new ATOM 0 HA ARG A 10 50.402 12.392 7.625 1.00 0.00 H new ATOM 0 HB2 ARG A 10 48.499 11.410 9.779 1.00 0.00 H new ATOM 0 HB3 ARG A 10 49.544 10.287 8.931 1.00 0.00 H new ATOM 0 HG2 ARG A 10 51.413 12.160 9.507 1.00 0.00 H new ATOM 0 HG3 ARG A 10 50.295 12.538 10.802 1.00 0.00 H new ATOM 0 HD2 ARG A 10 51.499 9.782 10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 10 51.932 10.829 11.559 1.00 0.00 H new ATOM 0 HE ARG A 10 49.153 9.622 11.247 1.00 0.00 H new ATOM 0 HH11 ARG A 10 51.400 8.385 12.996 1.00 0.00 H new ATOM 0 HH12 ARG A 10 50.943 8.995 14.589 1.00 0.00 H new ATOM 0 HH21 ARG A 10 48.799 11.442 13.311 1.00 0.00 H new ATOM 0 HH22 ARG A 10 49.483 10.710 14.766 1.00 0.00 H new ATOM 181 N LYS A 11 48.720 11.974 5.663 1.00 0.00 N ATOM 182 CA LYS A 11 47.956 11.361 4.545 1.00 0.00 C ATOM 183 C LYS A 11 48.758 10.191 3.965 1.00 0.00 C ATOM 184 O LYS A 11 49.166 10.207 2.817 1.00 0.00 O ATOM 185 CB LYS A 11 47.702 12.411 3.459 1.00 0.00 C ATOM 186 CG LYS A 11 46.487 11.998 2.625 1.00 0.00 C ATOM 187 CD LYS A 11 45.840 13.242 2.012 1.00 0.00 C ATOM 188 CE LYS A 11 46.363 13.442 0.588 1.00 0.00 C ATOM 189 NZ LYS A 11 45.745 14.664 -0.001 1.00 0.00 N ATOM 0 H LYS A 11 49.349 12.730 5.391 1.00 0.00 H new ATOM 0 HA LYS A 11 46.998 10.994 4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 11 47.530 13.386 3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 11 48.579 12.508 2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 11 46.791 11.308 1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 11 45.766 11.471 3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 11 44.756 13.132 2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 11 46.065 14.119 2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 11 47.449 13.539 0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 11 46.127 12.571 -0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 46.100 14.801 -0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 44.711 14.554 -0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 45.992 15.492 0.578 1.00 0.00 H new ATOM 203 N ARG A 12 48.985 9.176 4.759 1.00 0.00 N ATOM 204 CA ARG A 12 49.757 7.997 4.276 1.00 0.00 C ATOM 205 C ARG A 12 48.982 6.720 4.609 1.00 0.00 C ATOM 206 O ARG A 12 49.540 5.746 5.078 1.00 0.00 O ATOM 207 CB ARG A 12 51.125 7.967 4.962 1.00 0.00 C ATOM 208 CG ARG A 12 51.983 9.119 4.436 1.00 0.00 C ATOM 209 CD ARG A 12 51.782 10.355 5.317 1.00 0.00 C ATOM 210 NE ARG A 12 51.750 11.574 4.461 1.00 0.00 N ATOM 211 CZ ARG A 12 52.840 11.990 3.879 1.00 0.00 C ATOM 212 NH1 ARG A 12 53.160 11.541 2.695 1.00 0.00 N ATOM 213 NH2 ARG A 12 53.609 12.856 4.480 1.00 0.00 N ATOM 0 H ARG A 12 48.666 9.115 5.726 1.00 0.00 H new ATOM 0 HA ARG A 12 49.900 8.065 3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 12 51.004 8.053 6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 12 51.619 7.014 4.771 1.00 0.00 H new ATOM 0 HG2 ARG A 12 53.034 8.830 4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 12 51.711 9.347 3.405 1.00 0.00 H new ATOM 0 HD2 ARG A 12 50.852 10.267 5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 12 52.589 10.430 6.046 1.00 0.00 H new ATOM 0 HE ARG A 12 50.876 12.083 4.330 1.00 0.00 H new ATOM 0 HH11 ARG A 12 52.557 10.865 2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 12 54.013 11.866 2.240 1.00 0.00 H new ATOM 0 HH21 ARG A 12 53.357 13.207 5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 12 54.462 13.182 4.026 1.00 0.00 H new ATOM 227 N THR A 13 47.696 6.722 4.365 1.00 0.00 N ATOM 228 CA THR A 13 46.871 5.521 4.656 1.00 0.00 C ATOM 229 C THR A 13 47.061 4.503 3.531 1.00 0.00 C ATOM 230 O THR A 13 47.001 3.307 3.746 1.00 0.00 O ATOM 231 CB THR A 13 45.400 5.929 4.728 1.00 0.00 C ATOM 232 OG1 THR A 13 45.057 6.662 3.560 1.00 0.00 O ATOM 233 CG2 THR A 13 45.162 6.798 5.964 1.00 0.00 C ATOM 0 H THR A 13 47.183 7.512 3.974 1.00 0.00 H new ATOM 0 HA THR A 13 47.175 5.081 5.606 1.00 0.00 H new ATOM 0 HB THR A 13 44.781 5.034 4.795 1.00 0.00 H new ATOM 0 HG1 THR A 13 44.113 6.923 3.603 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.112 7.086 6.010 1.00 0.00 H new ATOM 0 HG22 THR A 13 45.424 6.235 6.860 1.00 0.00 H new ATOM 0 HG23 THR A 13 45.781 7.693 5.904 1.00 0.00 H new ATOM 241 N SER A 14 47.289 4.976 2.332 1.00 0.00 N ATOM 242 CA SER A 14 47.485 4.051 1.180 1.00 0.00 C ATOM 243 C SER A 14 48.915 4.188 0.651 1.00 0.00 C ATOM 244 O SER A 14 49.737 4.880 1.223 1.00 0.00 O ATOM 245 CB SER A 14 46.489 4.403 0.071 1.00 0.00 C ATOM 246 OG SER A 14 45.445 3.439 0.058 1.00 0.00 O ATOM 0 H SER A 14 47.348 5.968 2.103 1.00 0.00 H new ATOM 0 HA SER A 14 47.319 3.024 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 14 46.079 5.399 0.237 1.00 0.00 H new ATOM 0 HB3 SER A 14 46.994 4.423 -0.895 1.00 0.00 H new ATOM 0 HG SER A 14 44.804 3.661 -0.649 1.00 0.00 H new ATOM 252 N ILE A 15 49.211 3.530 -0.438 1.00 0.00 N ATOM 253 CA ILE A 15 50.580 3.604 -1.024 1.00 0.00 C ATOM 254 C ILE A 15 50.722 4.897 -1.820 1.00 0.00 C ATOM 255 O ILE A 15 50.518 4.935 -3.019 1.00 0.00 O ATOM 256 CB ILE A 15 50.807 2.367 -1.911 1.00 0.00 C ATOM 257 CG1 ILE A 15 50.869 1.115 -1.018 1.00 0.00 C ATOM 258 CG2 ILE A 15 52.116 2.487 -2.704 1.00 0.00 C ATOM 259 CD1 ILE A 15 52.033 1.235 -0.020 1.00 0.00 C ATOM 0 H ILE A 15 48.556 2.939 -0.951 1.00 0.00 H new ATOM 0 HA ILE A 15 51.335 3.610 -0.238 1.00 0.00 H new ATOM 0 HB ILE A 15 49.982 2.291 -2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 15 49.929 0.996 -0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 15 50.998 0.225 -1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 15 52.250 1.599 -3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 15 52.075 3.370 -3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 15 52.953 2.578 -2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 15 52.068 0.344 0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 15 52.972 1.332 -0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 15 51.886 2.114 0.607 1.00 0.00 H new ATOM 271 N GLU A 16 51.097 5.952 -1.147 1.00 0.00 N ATOM 272 CA GLU A 16 51.288 7.248 -1.828 1.00 0.00 C ATOM 273 C GLU A 16 52.495 7.122 -2.746 1.00 0.00 C ATOM 274 O GLU A 16 53.379 6.324 -2.506 1.00 0.00 O ATOM 275 CB GLU A 16 51.535 8.345 -0.780 1.00 0.00 C ATOM 276 CG GLU A 16 50.593 9.529 -1.033 1.00 0.00 C ATOM 277 CD GLU A 16 49.133 9.090 -0.860 1.00 0.00 C ATOM 278 OE1 GLU A 16 48.904 8.064 -0.236 1.00 0.00 O ATOM 279 OE2 GLU A 16 48.265 9.792 -1.352 1.00 0.00 O ATOM 0 H GLU A 16 51.279 5.963 -0.143 1.00 0.00 H new ATOM 0 HA GLU A 16 50.403 7.513 -2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.372 7.947 0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 16 52.572 8.678 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.821 10.339 -0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 16 50.747 9.917 -2.040 1.00 0.00 H new ATOM 286 N ASN A 17 52.545 7.900 -3.788 1.00 0.00 N ATOM 287 CA ASN A 17 53.710 7.826 -4.715 1.00 0.00 C ATOM 288 C ASN A 17 54.988 8.192 -3.954 1.00 0.00 C ATOM 289 O ASN A 17 56.082 7.856 -4.370 1.00 0.00 O ATOM 290 CB ASN A 17 53.504 8.790 -5.886 1.00 0.00 C ATOM 291 CG ASN A 17 52.906 8.032 -7.073 1.00 0.00 C ATOM 292 OD1 ASN A 17 51.794 7.548 -7.001 1.00 0.00 O ATOM 293 ND2 ASN A 17 53.603 7.908 -8.170 1.00 0.00 N ATOM 0 H ASN A 17 51.831 8.584 -4.040 1.00 0.00 H new ATOM 0 HA ASN A 17 53.800 6.812 -5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 17 52.841 9.603 -5.589 1.00 0.00 H new ATOM 0 HB3 ASN A 17 54.454 9.241 -6.171 1.00 0.00 H new ATOM 0 HD21 ASN A 17 53.214 7.405 -8.967 1.00 0.00 H new ATOM 0 HD22 ASN A 17 54.537 8.315 -8.230 1.00 0.00 H new ATOM 300 N ARG A 18 54.858 8.862 -2.833 1.00 0.00 N ATOM 301 CA ARG A 18 56.056 9.225 -2.037 1.00 0.00 C ATOM 302 C ARG A 18 56.404 8.056 -1.118 1.00 0.00 C ATOM 303 O ARG A 18 57.557 7.840 -0.800 1.00 0.00 O ATOM 304 CB ARG A 18 55.765 10.478 -1.210 1.00 0.00 C ATOM 305 CG ARG A 18 56.146 11.717 -2.023 1.00 0.00 C ATOM 306 CD ARG A 18 55.487 12.958 -1.417 1.00 0.00 C ATOM 307 NE ARG A 18 55.873 13.078 0.018 1.00 0.00 N ATOM 308 CZ ARG A 18 56.837 13.886 0.369 1.00 0.00 C ATOM 309 NH1 ARG A 18 56.588 15.152 0.567 1.00 0.00 N ATOM 310 NH2 ARG A 18 58.049 13.426 0.524 1.00 0.00 N ATOM 0 H ARG A 18 53.968 9.170 -2.441 1.00 0.00 H new ATOM 0 HA ARG A 18 56.897 9.433 -2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 18 54.709 10.515 -0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 18 56.329 10.452 -0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 18 57.229 11.838 -2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.829 11.595 -3.059 1.00 0.00 H new ATOM 0 HD2 ARG A 18 55.796 13.849 -1.963 1.00 0.00 H new ATOM 0 HD3 ARG A 18 54.403 12.888 -1.508 1.00 0.00 H new ATOM 0 HE ARG A 18 55.384 12.529 0.725 1.00 0.00 H new ATOM 0 HH11 ARG A 18 55.640 15.510 0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 18 57.341 15.783 0.841 1.00 0.00 H new ATOM 0 HH21 ARG A 18 58.242 12.436 0.371 1.00 0.00 H new ATOM 0 HH22 ARG A 18 58.803 14.056 0.798 1.00 0.00 H new ATOM 324 N VAL A 19 55.419 7.288 -0.700 1.00 0.00 N ATOM 325 CA VAL A 19 55.715 6.123 0.185 1.00 0.00 C ATOM 326 C VAL A 19 56.530 5.108 -0.608 1.00 0.00 C ATOM 327 O VAL A 19 57.508 4.579 -0.128 1.00 0.00 O ATOM 328 CB VAL A 19 54.405 5.494 0.744 1.00 0.00 C ATOM 329 CG1 VAL A 19 53.907 4.291 -0.086 1.00 0.00 C ATOM 330 CG2 VAL A 19 54.687 5.007 2.165 1.00 0.00 C ATOM 0 H VAL A 19 54.435 7.420 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 19 56.293 6.454 1.048 1.00 0.00 H new ATOM 0 HB VAL A 19 53.629 6.259 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 19 52.991 3.898 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 19 53.708 4.612 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 19 54.670 3.512 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 19 53.784 4.561 2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 19 55.483 4.263 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 19 54.995 5.850 2.784 1.00 0.00 H new ATOM 340 N ARG A 20 56.110 4.822 -1.816 1.00 0.00 N ATOM 341 CA ARG A 20 56.850 3.833 -2.659 1.00 0.00 C ATOM 342 C ARG A 20 58.295 4.267 -2.814 1.00 0.00 C ATOM 343 O ARG A 20 59.204 3.502 -2.551 1.00 0.00 O ATOM 344 CB ARG A 20 56.210 3.747 -4.048 1.00 0.00 C ATOM 345 CG ARG A 20 55.037 2.766 -4.027 1.00 0.00 C ATOM 346 CD ARG A 20 55.002 1.981 -5.342 1.00 0.00 C ATOM 347 NE ARG A 20 54.111 2.677 -6.313 1.00 0.00 N ATOM 348 CZ ARG A 20 53.210 2.001 -6.972 1.00 0.00 C ATOM 349 NH1 ARG A 20 53.573 1.021 -7.755 1.00 0.00 N ATOM 350 NH2 ARG A 20 51.946 2.304 -6.848 1.00 0.00 N ATOM 0 H ARG A 20 55.285 5.232 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 20 56.806 2.859 -2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 20 55.864 4.733 -4.359 1.00 0.00 H new ATOM 0 HB3 ARG A 20 56.951 3.424 -4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 20 55.137 2.081 -3.185 1.00 0.00 H new ATOM 0 HG3 ARG A 20 54.100 3.306 -3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 20 56.008 1.894 -5.753 1.00 0.00 H new ATOM 0 HD3 ARG A 20 54.642 0.968 -5.164 1.00 0.00 H new ATOM 0 HE ARG A 20 54.205 3.682 -6.462 1.00 0.00 H new ATOM 0 HH11 ARG A 20 54.560 0.784 -7.851 1.00 0.00 H new ATOM 0 HH12 ARG A 20 52.869 0.492 -8.270 1.00 0.00 H new ATOM 0 HH21 ARG A 20 51.663 3.069 -6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 20 51.242 1.776 -7.363 1.00 0.00 H new ATOM 364 N TRP A 21 58.525 5.475 -3.251 1.00 0.00 N ATOM 365 CA TRP A 21 59.933 5.908 -3.419 1.00 0.00 C ATOM 366 C TRP A 21 60.574 6.051 -2.033 1.00 0.00 C ATOM 367 O TRP A 21 61.783 6.042 -1.904 1.00 0.00 O ATOM 368 CB TRP A 21 60.014 7.185 -4.270 1.00 0.00 C ATOM 369 CG TRP A 21 60.444 6.781 -5.658 1.00 0.00 C ATOM 370 CD1 TRP A 21 61.266 7.487 -6.467 1.00 0.00 C ATOM 371 CD2 TRP A 21 60.107 5.558 -6.389 1.00 0.00 C ATOM 372 NE1 TRP A 21 61.459 6.773 -7.642 1.00 0.00 N ATOM 373 CE2 TRP A 21 60.764 5.577 -7.638 1.00 0.00 C ATOM 374 CE3 TRP A 21 59.302 4.443 -6.088 1.00 0.00 C ATOM 375 CZ2 TRP A 21 60.628 4.519 -8.549 1.00 0.00 C ATOM 376 CZ3 TRP A 21 59.164 3.390 -6.991 1.00 0.00 C ATOM 377 CH2 TRP A 21 59.828 3.423 -8.221 1.00 0.00 C ATOM 0 H TRP A 21 57.814 6.165 -3.493 1.00 0.00 H new ATOM 0 HA TRP A 21 60.501 5.158 -3.969 1.00 0.00 H new ATOM 0 HB2 TRP A 21 59.047 7.687 -4.300 1.00 0.00 H new ATOM 0 HB3 TRP A 21 60.726 7.889 -3.838 1.00 0.00 H new ATOM 0 HD1 TRP A 21 61.701 8.448 -6.237 1.00 0.00 H new ATOM 0 HE1 TRP A 21 62.043 7.092 -8.415 1.00 0.00 H new ATOM 0 HE3 TRP A 21 58.783 4.403 -5.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 61.140 4.552 -9.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 58.541 2.544 -6.739 1.00 0.00 H new ATOM 0 HH2 TRP A 21 59.722 2.603 -8.916 1.00 0.00 H new ATOM 388 N SER A 22 59.772 6.082 -0.981 1.00 0.00 N ATOM 389 CA SER A 22 60.342 6.105 0.391 1.00 0.00 C ATOM 390 C SER A 22 61.005 4.738 0.585 1.00 0.00 C ATOM 391 O SER A 22 62.094 4.625 1.111 1.00 0.00 O ATOM 392 CB SER A 22 59.233 6.300 1.430 1.00 0.00 C ATOM 393 OG SER A 22 59.747 7.037 2.531 1.00 0.00 O ATOM 0 H SER A 22 58.753 6.092 -1.027 1.00 0.00 H new ATOM 0 HA SER A 22 61.050 6.924 0.515 1.00 0.00 H new ATOM 0 HB2 SER A 22 58.390 6.829 0.985 1.00 0.00 H new ATOM 0 HB3 SER A 22 58.860 5.333 1.767 1.00 0.00 H new ATOM 0 HG SER A 22 59.040 7.165 3.197 1.00 0.00 H new ATOM 399 N LEU A 23 60.362 3.696 0.084 1.00 0.00 N ATOM 400 CA LEU A 23 60.953 2.323 0.145 1.00 0.00 C ATOM 401 C LEU A 23 62.309 2.391 -0.553 1.00 0.00 C ATOM 402 O LEU A 23 63.304 1.885 -0.080 1.00 0.00 O ATOM 403 CB LEU A 23 60.080 1.328 -0.643 1.00 0.00 C ATOM 404 CG LEU A 23 58.678 1.199 -0.046 1.00 0.00 C ATOM 405 CD1 LEU A 23 57.696 0.878 -1.177 1.00 0.00 C ATOM 406 CD2 LEU A 23 58.653 0.049 0.968 1.00 0.00 C ATOM 0 H LEU A 23 59.448 3.747 -0.366 1.00 0.00 H new ATOM 0 HA LEU A 23 61.029 1.998 1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 23 60.004 1.655 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 23 60.562 0.350 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 23 58.402 2.129 0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 23 56.690 0.782 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 23 57.714 1.681 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 23 57.984 -0.058 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 23 57.653 -0.041 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 23 58.920 -0.882 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.368 0.251 1.765 1.00 0.00 H new ATOM 418 N GLU A 24 62.327 3.039 -1.688 1.00 0.00 N ATOM 419 CA GLU A 24 63.589 3.194 -2.477 1.00 0.00 C ATOM 420 C GLU A 24 64.686 3.829 -1.610 1.00 0.00 C ATOM 421 O GLU A 24 65.851 3.501 -1.726 1.00 0.00 O ATOM 422 CB GLU A 24 63.311 4.116 -3.672 1.00 0.00 C ATOM 423 CG GLU A 24 64.227 3.754 -4.846 1.00 0.00 C ATOM 424 CD GLU A 24 64.594 5.026 -5.615 1.00 0.00 C ATOM 425 OE1 GLU A 24 63.687 5.685 -6.098 1.00 0.00 O ATOM 426 OE2 GLU A 24 65.774 5.315 -5.714 1.00 0.00 O ATOM 0 H GLU A 24 61.507 3.475 -2.110 1.00 0.00 H new ATOM 0 HA GLU A 24 63.923 2.213 -2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 24 62.268 4.026 -3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 24 63.471 5.155 -3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 24 65.129 3.264 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 24 63.726 3.047 -5.508 1.00 0.00 H new ATOM 433 N THR A 25 64.317 4.749 -0.758 1.00 0.00 N ATOM 434 CA THR A 25 65.324 5.436 0.105 1.00 0.00 C ATOM 435 C THR A 25 65.894 4.477 1.153 1.00 0.00 C ATOM 436 O THR A 25 67.086 4.457 1.398 1.00 0.00 O ATOM 437 CB THR A 25 64.653 6.616 0.814 1.00 0.00 C ATOM 438 OG1 THR A 25 63.811 7.300 -0.104 1.00 0.00 O ATOM 439 CG2 THR A 25 65.721 7.576 1.342 1.00 0.00 C ATOM 0 H THR A 25 63.354 5.056 -0.622 1.00 0.00 H new ATOM 0 HA THR A 25 66.142 5.785 -0.525 1.00 0.00 H new ATOM 0 HB THR A 25 64.058 6.246 1.649 1.00 0.00 H new ATOM 0 HG1 THR A 25 63.379 8.055 0.348 1.00 0.00 H new ATOM 0 HG21 THR A 25 65.240 8.414 1.846 1.00 0.00 H new ATOM 0 HG22 THR A 25 66.366 7.051 2.047 1.00 0.00 H new ATOM 0 HG23 THR A 25 66.319 7.948 0.510 1.00 0.00 H new ATOM 447 N MET A 26 65.055 3.706 1.789 1.00 0.00 N ATOM 448 CA MET A 26 65.546 2.770 2.847 1.00 0.00 C ATOM 449 C MET A 26 66.216 1.533 2.230 1.00 0.00 C ATOM 450 O MET A 26 66.922 0.811 2.911 1.00 0.00 O ATOM 451 CB MET A 26 64.365 2.325 3.712 1.00 0.00 C ATOM 452 CG MET A 26 64.002 3.443 4.692 1.00 0.00 C ATOM 453 SD MET A 26 63.024 2.759 6.053 1.00 0.00 S ATOM 454 CE MET A 26 64.404 2.389 7.163 1.00 0.00 C ATOM 0 H MET A 26 64.049 3.682 1.623 1.00 0.00 H new ATOM 0 HA MET A 26 66.286 3.294 3.453 1.00 0.00 H new ATOM 0 HB2 MET A 26 63.508 2.087 3.082 1.00 0.00 H new ATOM 0 HB3 MET A 26 64.622 1.417 4.258 1.00 0.00 H new ATOM 0 HG2 MET A 26 64.908 3.910 5.080 1.00 0.00 H new ATOM 0 HG3 MET A 26 63.437 4.221 4.179 1.00 0.00 H new ATOM 0 HE1 MET A 26 64.022 1.950 8.085 1.00 0.00 H new ATOM 0 HE2 MET A 26 65.081 1.685 6.679 1.00 0.00 H new ATOM 0 HE3 MET A 26 64.941 3.309 7.395 1.00 0.00 H new ATOM 464 N PHE A 27 66.002 1.271 0.963 1.00 0.00 N ATOM 465 CA PHE A 27 66.629 0.068 0.332 1.00 0.00 C ATOM 466 C PHE A 27 67.984 0.427 -0.280 1.00 0.00 C ATOM 467 O PHE A 27 68.839 -0.424 -0.441 1.00 0.00 O ATOM 468 CB PHE A 27 65.714 -0.491 -0.761 1.00 0.00 C ATOM 469 CG PHE A 27 64.723 -1.448 -0.138 1.00 0.00 C ATOM 470 CD1 PHE A 27 65.172 -2.627 0.470 1.00 0.00 C ATOM 471 CD2 PHE A 27 63.355 -1.157 -0.172 1.00 0.00 C ATOM 472 CE1 PHE A 27 64.251 -3.513 1.042 1.00 0.00 C ATOM 473 CE2 PHE A 27 62.436 -2.042 0.398 1.00 0.00 C ATOM 474 CZ PHE A 27 62.883 -3.219 1.004 1.00 0.00 C ATOM 0 H PHE A 27 65.423 1.836 0.341 1.00 0.00 H new ATOM 0 HA PHE A 27 66.775 -0.685 1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 27 65.188 0.321 -1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 27 66.305 -1.004 -1.520 1.00 0.00 H new ATOM 0 HD1 PHE A 27 66.228 -2.853 0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 27 63.009 -0.247 -0.639 1.00 0.00 H new ATOM 0 HE1 PHE A 27 64.596 -4.422 1.512 1.00 0.00 H new ATOM 0 HE2 PHE A 27 61.380 -1.816 0.370 1.00 0.00 H new ATOM 0 HZ PHE A 27 62.172 -3.903 1.444 1.00 0.00 H new ATOM 484 N LEU A 28 68.183 1.671 -0.637 1.00 0.00 N ATOM 485 CA LEU A 28 69.481 2.074 -1.258 1.00 0.00 C ATOM 486 C LEU A 28 70.581 2.246 -0.200 1.00 0.00 C ATOM 487 O LEU A 28 71.700 2.595 -0.525 1.00 0.00 O ATOM 488 CB LEU A 28 69.283 3.381 -2.023 1.00 0.00 C ATOM 489 CG LEU A 28 68.310 3.135 -3.175 1.00 0.00 C ATOM 490 CD1 LEU A 28 67.741 4.468 -3.665 1.00 0.00 C ATOM 491 CD2 LEU A 28 69.047 2.436 -4.320 1.00 0.00 C ATOM 0 H LEU A 28 67.504 2.424 -0.525 1.00 0.00 H new ATOM 0 HA LEU A 28 69.800 1.285 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 28 68.894 4.152 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 28 70.237 3.743 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 28 67.491 2.504 -2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 28 67.048 4.288 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 28 67.215 4.961 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 28 68.555 5.106 -4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 28 68.355 2.259 -5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 28 69.867 3.067 -4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 28 69.445 1.484 -3.969 1.00 0.00 H new ATOM 503 N LYS A 29 70.289 1.986 1.051 1.00 0.00 N ATOM 504 CA LYS A 29 71.332 2.114 2.109 1.00 0.00 C ATOM 505 C LYS A 29 71.869 0.715 2.400 1.00 0.00 C ATOM 506 O LYS A 29 73.059 0.506 2.544 1.00 0.00 O ATOM 507 CB LYS A 29 70.691 2.743 3.378 1.00 0.00 C ATOM 508 CG LYS A 29 71.217 2.105 4.691 1.00 0.00 C ATOM 509 CD LYS A 29 71.108 3.114 5.837 1.00 0.00 C ATOM 510 CE LYS A 29 69.641 3.485 6.061 1.00 0.00 C ATOM 511 NZ LYS A 29 69.528 4.367 7.256 1.00 0.00 N ATOM 0 H LYS A 29 69.371 1.690 1.383 1.00 0.00 H new ATOM 0 HA LYS A 29 72.151 2.758 1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 29 70.896 3.814 3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 29 69.608 2.626 3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 29 70.642 1.209 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 29 72.254 1.794 4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 29 71.529 2.690 6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 29 71.687 4.007 5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 29 69.245 3.994 5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 29 69.045 2.584 6.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 68.531 4.619 7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 69.890 3.866 8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 70.084 5.232 7.103 1.00 0.00 H new ATOM 525 N CYS A 30 70.982 -0.226 2.520 1.00 0.00 N ATOM 526 CA CYS A 30 71.400 -1.608 2.840 1.00 0.00 C ATOM 527 C CYS A 30 71.084 -2.542 1.663 1.00 0.00 C ATOM 528 O CYS A 30 69.929 -2.821 1.414 1.00 0.00 O ATOM 529 CB CYS A 30 70.630 -2.085 4.075 1.00 0.00 C ATOM 530 SG CYS A 30 71.375 -1.375 5.564 1.00 0.00 S ATOM 0 H CYS A 30 69.977 -0.093 2.409 1.00 0.00 H new ATOM 0 HA CYS A 30 72.473 -1.624 3.031 1.00 0.00 H new ATOM 0 HB2 CYS A 30 69.584 -1.787 4.002 1.00 0.00 H new ATOM 0 HB3 CYS A 30 70.649 -3.173 4.130 1.00 0.00 H new ATOM 0 HG CYS A 30 70.720 -1.778 6.612 1.00 0.00 H new ATOM 536 N PRO A 31 72.108 -3.053 0.993 1.00 0.00 N ATOM 537 CA PRO A 31 71.910 -4.002 -0.110 1.00 0.00 C ATOM 538 C PRO A 31 71.827 -5.422 0.474 1.00 0.00 C ATOM 539 O PRO A 31 72.032 -6.399 -0.221 1.00 0.00 O ATOM 540 CB PRO A 31 73.187 -3.869 -0.937 1.00 0.00 C ATOM 541 CG PRO A 31 74.270 -3.337 0.030 1.00 0.00 C ATOM 542 CD PRO A 31 73.533 -2.740 1.242 1.00 0.00 C ATOM 0 HA PRO A 31 71.007 -3.815 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 31 73.480 -4.830 -1.359 1.00 0.00 H new ATOM 0 HB3 PRO A 31 73.041 -3.185 -1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 31 74.938 -4.140 0.341 1.00 0.00 H new ATOM 0 HG3 PRO A 31 74.886 -2.582 -0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 31 73.880 -3.182 2.176 1.00 0.00 H new ATOM 0 HD3 PRO A 31 73.697 -1.665 1.318 1.00 0.00 H new ATOM 550 N LYS A 32 71.565 -5.537 1.761 1.00 0.00 N ATOM 551 CA LYS A 32 71.509 -6.861 2.411 1.00 0.00 C ATOM 552 C LYS A 32 70.155 -7.045 3.143 1.00 0.00 C ATOM 553 O LYS A 32 70.146 -7.385 4.312 1.00 0.00 O ATOM 554 CB LYS A 32 72.656 -6.936 3.435 1.00 0.00 C ATOM 555 CG LYS A 32 72.671 -5.662 4.309 1.00 0.00 C ATOM 556 CD LYS A 32 73.372 -5.958 5.637 1.00 0.00 C ATOM 557 CE LYS A 32 73.270 -4.733 6.550 1.00 0.00 C ATOM 558 NZ LYS A 32 74.490 -4.639 7.400 1.00 0.00 N ATOM 0 H LYS A 32 71.387 -4.749 2.384 1.00 0.00 H new ATOM 0 HA LYS A 32 71.606 -7.646 1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 32 72.535 -7.817 4.065 1.00 0.00 H new ATOM 0 HB3 LYS A 32 73.609 -7.043 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 32 73.186 -4.856 3.786 1.00 0.00 H new ATOM 0 HG3 LYS A 32 71.652 -5.323 4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 32 72.914 -6.823 6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 32 74.418 -6.208 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 32 73.161 -3.829 5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 32 72.382 -4.808 7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 74.418 -3.806 8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 74.575 -5.497 7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 75.330 -4.548 6.793 1.00 0.00 H new ATOM 572 N PRO A 33 69.038 -6.822 2.465 1.00 0.00 N ATOM 573 CA PRO A 33 67.717 -6.974 3.102 1.00 0.00 C ATOM 574 C PRO A 33 67.369 -8.451 3.279 1.00 0.00 C ATOM 575 O PRO A 33 67.530 -9.252 2.378 1.00 0.00 O ATOM 576 CB PRO A 33 66.750 -6.310 2.123 1.00 0.00 C ATOM 577 CG PRO A 33 67.453 -6.320 0.751 1.00 0.00 C ATOM 578 CD PRO A 33 68.964 -6.413 1.039 1.00 0.00 C ATOM 0 HA PRO A 33 67.680 -6.528 4.096 1.00 0.00 H new ATOM 0 HB2 PRO A 33 65.806 -6.852 2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 33 66.519 -5.291 2.435 1.00 0.00 H new ATOM 0 HG2 PRO A 33 67.119 -7.165 0.149 1.00 0.00 H new ATOM 0 HG3 PRO A 33 67.220 -5.416 0.188 1.00 0.00 H new ATOM 0 HD2 PRO A 33 69.449 -7.142 0.390 1.00 0.00 H new ATOM 0 HD3 PRO A 33 69.461 -5.457 0.872 1.00 0.00 H new ATOM 586 N SER A 34 66.878 -8.808 4.436 1.00 0.00 N ATOM 587 CA SER A 34 66.494 -10.218 4.695 1.00 0.00 C ATOM 588 C SER A 34 65.046 -10.409 4.302 1.00 0.00 C ATOM 589 O SER A 34 64.270 -9.478 4.325 1.00 0.00 O ATOM 590 CB SER A 34 66.659 -10.528 6.184 1.00 0.00 C ATOM 591 OG SER A 34 66.268 -11.873 6.429 1.00 0.00 O ATOM 0 H SER A 34 66.727 -8.172 5.219 1.00 0.00 H new ATOM 0 HA SER A 34 67.130 -10.887 4.115 1.00 0.00 H new ATOM 0 HB2 SER A 34 67.695 -10.377 6.486 1.00 0.00 H new ATOM 0 HB3 SER A 34 66.051 -9.846 6.779 1.00 0.00 H new ATOM 0 HG SER A 34 66.374 -12.076 7.382 1.00 0.00 H new ATOM 597 N LEU A 35 64.660 -11.614 3.968 1.00 0.00 N ATOM 598 CA LEU A 35 63.231 -11.865 3.616 1.00 0.00 C ATOM 599 C LEU A 35 62.369 -11.492 4.824 1.00 0.00 C ATOM 600 O LEU A 35 61.203 -11.163 4.698 1.00 0.00 O ATOM 601 CB LEU A 35 63.038 -13.344 3.286 1.00 0.00 C ATOM 602 CG LEU A 35 63.497 -13.598 1.851 1.00 0.00 C ATOM 603 CD1 LEU A 35 64.180 -14.972 1.754 1.00 0.00 C ATOM 604 CD2 LEU A 35 62.285 -13.552 0.912 1.00 0.00 C ATOM 0 H LEU A 35 65.269 -12.431 3.924 1.00 0.00 H new ATOM 0 HA LEU A 35 62.945 -11.269 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 35 63.609 -13.962 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 35 61.990 -13.622 3.401 1.00 0.00 H new ATOM 0 HG LEU A 35 64.211 -12.828 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 35 64.504 -15.145 0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 35 65.045 -14.996 2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 35 63.476 -15.750 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.611 -13.733 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.568 -14.319 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.813 -12.571 0.975 1.00 0.00 H new ATOM 616 N GLN A 36 62.961 -11.509 5.995 1.00 0.00 N ATOM 617 CA GLN A 36 62.207 -11.124 7.219 1.00 0.00 C ATOM 618 C GLN A 36 62.008 -9.614 7.173 1.00 0.00 C ATOM 619 O GLN A 36 60.958 -9.099 7.508 1.00 0.00 O ATOM 620 CB GLN A 36 63.010 -11.509 8.466 1.00 0.00 C ATOM 621 CG GLN A 36 62.435 -12.795 9.069 1.00 0.00 C ATOM 622 CD GLN A 36 61.285 -12.455 10.023 1.00 0.00 C ATOM 623 OE1 GLN A 36 61.031 -11.300 10.312 1.00 0.00 O ATOM 624 NE2 GLN A 36 60.571 -13.423 10.530 1.00 0.00 N ATOM 0 H GLN A 36 63.934 -11.774 6.151 1.00 0.00 H new ATOM 0 HA GLN A 36 61.246 -11.637 7.260 1.00 0.00 H new ATOM 0 HB2 GLN A 36 64.058 -11.654 8.206 1.00 0.00 H new ATOM 0 HB3 GLN A 36 62.972 -10.703 9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 36 62.079 -13.451 8.275 1.00 0.00 H new ATOM 0 HG3 GLN A 36 63.215 -13.336 9.604 1.00 0.00 H new ATOM 0 HE21 GLN A 36 60.781 -14.392 10.290 1.00 0.00 H new ATOM 0 HE22 GLN A 36 59.803 -13.211 11.166 1.00 0.00 H new ATOM 633 N GLN A 37 63.018 -8.906 6.738 1.00 0.00 N ATOM 634 CA GLN A 37 62.914 -7.428 6.635 1.00 0.00 C ATOM 635 C GLN A 37 61.907 -7.068 5.542 1.00 0.00 C ATOM 636 O GLN A 37 61.285 -6.028 5.597 1.00 0.00 O ATOM 637 CB GLN A 37 64.276 -6.831 6.286 1.00 0.00 C ATOM 638 CG GLN A 37 64.214 -5.310 6.445 1.00 0.00 C ATOM 639 CD GLN A 37 65.610 -4.775 6.770 1.00 0.00 C ATOM 640 OE1 GLN A 37 65.850 -4.297 7.861 1.00 0.00 O ATOM 641 NE2 GLN A 37 66.547 -4.838 5.863 1.00 0.00 N ATOM 0 H GLN A 37 63.915 -9.295 6.449 1.00 0.00 H new ATOM 0 HA GLN A 37 62.582 -7.024 7.592 1.00 0.00 H new ATOM 0 HB2 GLN A 37 65.046 -7.246 6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 37 64.549 -7.091 5.263 1.00 0.00 H new ATOM 0 HG2 GLN A 37 63.842 -4.853 5.528 1.00 0.00 H new ATOM 0 HG3 GLN A 37 63.517 -5.045 7.240 1.00 0.00 H new ATOM 0 HE21 GLN A 37 66.344 -5.239 4.947 1.00 0.00 H new ATOM 0 HE22 GLN A 37 67.482 -4.486 6.070 1.00 0.00 H new ATOM 650 N ILE A 38 61.726 -7.926 4.557 1.00 0.00 N ATOM 651 CA ILE A 38 60.734 -7.622 3.485 1.00 0.00 C ATOM 652 C ILE A 38 59.338 -7.849 4.062 1.00 0.00 C ATOM 653 O ILE A 38 58.395 -7.182 3.692 1.00 0.00 O ATOM 654 CB ILE A 38 61.001 -8.486 2.225 1.00 0.00 C ATOM 655 CG1 ILE A 38 62.221 -7.913 1.479 1.00 0.00 C ATOM 656 CG2 ILE A 38 59.785 -8.467 1.271 1.00 0.00 C ATOM 657 CD1 ILE A 38 61.968 -6.444 1.098 1.00 0.00 C ATOM 0 H ILE A 38 62.220 -8.813 4.456 1.00 0.00 H new ATOM 0 HA ILE A 38 60.822 -6.585 3.161 1.00 0.00 H new ATOM 0 HB ILE A 38 61.183 -9.513 2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 38 63.108 -7.986 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 38 62.417 -8.501 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 38 59.999 -9.081 0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 38 58.911 -8.864 1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 38 59.586 -7.443 0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 38 62.837 -6.050 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 38 61.093 -6.381 0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 38 61.795 -5.859 2.001 1.00 0.00 H new ATOM 669 N THR A 39 59.215 -8.750 5.001 1.00 0.00 N ATOM 670 CA THR A 39 57.893 -8.976 5.650 1.00 0.00 C ATOM 671 C THR A 39 57.555 -7.707 6.443 1.00 0.00 C ATOM 672 O THR A 39 56.420 -7.268 6.500 1.00 0.00 O ATOM 673 CB THR A 39 57.980 -10.173 6.600 1.00 0.00 C ATOM 674 OG1 THR A 39 58.435 -11.312 5.883 1.00 0.00 O ATOM 675 CG2 THR A 39 56.599 -10.457 7.190 1.00 0.00 C ATOM 0 H THR A 39 59.974 -9.338 5.346 1.00 0.00 H new ATOM 0 HA THR A 39 57.125 -9.185 4.905 1.00 0.00 H new ATOM 0 HB THR A 39 58.678 -9.949 7.406 1.00 0.00 H new ATOM 0 HG1 THR A 39 59.377 -11.192 5.642 1.00 0.00 H new ATOM 0 HG21 THR A 39 56.661 -11.309 7.867 1.00 0.00 H new ATOM 0 HG22 THR A 39 56.251 -9.582 7.739 1.00 0.00 H new ATOM 0 HG23 THR A 39 55.899 -10.682 6.385 1.00 0.00 H new ATOM 683 N HIS A 40 58.562 -7.103 7.025 1.00 0.00 N ATOM 684 CA HIS A 40 58.360 -5.841 7.794 1.00 0.00 C ATOM 685 C HIS A 40 58.215 -4.675 6.817 1.00 0.00 C ATOM 686 O HIS A 40 57.646 -3.654 7.151 1.00 0.00 O ATOM 687 CB HIS A 40 59.567 -5.602 8.703 1.00 0.00 C ATOM 688 CG HIS A 40 59.540 -6.575 9.855 1.00 0.00 C ATOM 689 ND1 HIS A 40 60.479 -6.536 10.874 1.00 0.00 N ATOM 690 CD2 HIS A 40 58.697 -7.616 10.164 1.00 0.00 C ATOM 691 CE1 HIS A 40 60.181 -7.523 11.739 1.00 0.00 C ATOM 692 NE2 HIS A 40 59.104 -8.212 11.354 1.00 0.00 N ATOM 0 H HIS A 40 59.526 -7.437 6.998 1.00 0.00 H new ATOM 0 HA HIS A 40 57.459 -5.920 8.403 1.00 0.00 H new ATOM 0 HB2 HIS A 40 60.490 -5.721 8.136 1.00 0.00 H new ATOM 0 HB3 HIS A 40 59.554 -4.579 9.079 1.00 0.00 H new ATOM 0 HD2 HIS A 40 57.847 -7.925 9.573 1.00 0.00 H new ATOM 0 HE1 HIS A 40 60.745 -7.732 12.636 1.00 0.00 H new ATOM 0 HE2 HIS A 40 58.672 -9.004 11.830 1.00 0.00 H new ATOM 700 N ILE A 41 58.702 -4.822 5.605 1.00 0.00 N ATOM 701 CA ILE A 41 58.560 -3.729 4.608 1.00 0.00 C ATOM 702 C ILE A 41 57.074 -3.666 4.240 1.00 0.00 C ATOM 703 O ILE A 41 56.503 -2.609 4.137 1.00 0.00 O ATOM 704 CB ILE A 41 59.473 -4.022 3.378 1.00 0.00 C ATOM 705 CG1 ILE A 41 60.735 -3.136 3.457 1.00 0.00 C ATOM 706 CG2 ILE A 41 58.765 -3.746 2.033 1.00 0.00 C ATOM 707 CD1 ILE A 41 61.944 -3.964 3.908 1.00 0.00 C ATOM 0 H ILE A 41 59.190 -5.653 5.271 1.00 0.00 H new ATOM 0 HA ILE A 41 58.877 -2.763 5.000 1.00 0.00 H new ATOM 0 HB ILE A 41 59.728 -5.081 3.413 1.00 0.00 H new ATOM 0 HG12 ILE A 41 60.935 -2.690 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 41 60.568 -2.316 4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 41 59.446 -3.967 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 41 57.881 -4.378 1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 41 58.468 -2.698 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 41 62.825 -3.324 3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 41 61.747 -4.389 4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 41 62.120 -4.769 3.194 1.00 0.00 H new ATOM 719 N ALA A 42 56.452 -4.806 4.065 1.00 0.00 N ATOM 720 CA ALA A 42 55.004 -4.842 3.714 1.00 0.00 C ATOM 721 C ALA A 42 54.209 -4.213 4.843 1.00 0.00 C ATOM 722 O ALA A 42 53.448 -3.287 4.635 1.00 0.00 O ATOM 723 CB ALA A 42 54.558 -6.288 3.502 1.00 0.00 C ATOM 0 H ALA A 42 56.893 -5.721 4.152 1.00 0.00 H new ATOM 0 HA ALA A 42 54.833 -4.286 2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 42 53.499 -6.308 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 42 55.136 -6.732 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 42 54.721 -6.857 4.417 1.00 0.00 H new ATOM 729 N ASN A 43 54.416 -4.676 6.045 1.00 0.00 N ATOM 730 CA ASN A 43 53.716 -4.065 7.209 1.00 0.00 C ATOM 731 C ASN A 43 54.140 -2.585 7.307 1.00 0.00 C ATOM 732 O ASN A 43 53.475 -1.776 7.925 1.00 0.00 O ATOM 733 CB ASN A 43 54.122 -4.806 8.489 1.00 0.00 C ATOM 734 CG ASN A 43 52.959 -5.669 8.981 1.00 0.00 C ATOM 735 OD1 ASN A 43 52.607 -6.649 8.355 1.00 0.00 O ATOM 736 ND2 ASN A 43 52.346 -5.345 10.086 1.00 0.00 N ATOM 0 H ASN A 43 55.040 -5.451 6.271 1.00 0.00 H new ATOM 0 HA ASN A 43 52.635 -4.136 7.084 1.00 0.00 H new ATOM 0 HB2 ASN A 43 54.994 -5.431 8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 43 54.406 -4.090 9.260 1.00 0.00 H new ATOM 0 HD21 ASN A 43 51.571 -5.915 10.425 1.00 0.00 H new ATOM 0 HD22 ASN A 43 52.642 -4.522 10.611 1.00 0.00 H new ATOM 743 N GLN A 44 55.255 -2.240 6.698 1.00 0.00 N ATOM 744 CA GLN A 44 55.752 -0.842 6.740 1.00 0.00 C ATOM 745 C GLN A 44 54.906 0.061 5.824 1.00 0.00 C ATOM 746 O GLN A 44 54.692 1.219 6.135 1.00 0.00 O ATOM 747 CB GLN A 44 57.224 -0.839 6.303 1.00 0.00 C ATOM 748 CG GLN A 44 58.145 -0.571 7.499 1.00 0.00 C ATOM 749 CD GLN A 44 57.887 0.835 8.043 1.00 0.00 C ATOM 750 OE1 GLN A 44 56.932 1.059 8.759 1.00 0.00 O ATOM 751 NE2 GLN A 44 58.710 1.799 7.734 1.00 0.00 N ATOM 0 H GLN A 44 55.842 -2.885 6.169 1.00 0.00 H new ATOM 0 HA GLN A 44 55.669 -0.448 7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 44 57.476 -1.799 5.852 1.00 0.00 H new ATOM 0 HB3 GLN A 44 57.380 -0.077 5.540 1.00 0.00 H new ATOM 0 HG2 GLN A 44 57.969 -1.311 8.279 1.00 0.00 H new ATOM 0 HG3 GLN A 44 59.188 -0.669 7.197 1.00 0.00 H new ATOM 0 HE21 GLN A 44 59.512 1.612 7.133 1.00 0.00 H new ATOM 0 HE22 GLN A 44 58.551 2.740 8.094 1.00 0.00 H new ATOM 760 N LEU A 45 54.414 -0.445 4.710 1.00 0.00 N ATOM 761 CA LEU A 45 53.574 0.421 3.808 1.00 0.00 C ATOM 762 C LEU A 45 52.203 -0.229 3.522 1.00 0.00 C ATOM 763 O LEU A 45 51.520 0.137 2.586 1.00 0.00 O ATOM 764 CB LEU A 45 54.335 0.736 2.499 1.00 0.00 C ATOM 765 CG LEU A 45 54.374 -0.466 1.550 1.00 0.00 C ATOM 766 CD1 LEU A 45 54.756 0.004 0.138 1.00 0.00 C ATOM 767 CD2 LEU A 45 55.409 -1.461 2.054 1.00 0.00 C ATOM 0 H LEU A 45 54.554 -1.403 4.390 1.00 0.00 H new ATOM 0 HA LEU A 45 53.382 1.363 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 45 53.858 1.578 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 45 55.354 1.042 2.737 1.00 0.00 H new ATOM 0 HG LEU A 45 53.393 -0.940 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 45 54.783 -0.852 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 45 54.018 0.723 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 45 55.738 0.476 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 45 55.444 -2.320 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 45 56.389 -0.984 2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 45 55.137 -1.793 3.056 1.00 0.00 H new ATOM 779 N GLY A 46 51.785 -1.157 4.344 1.00 0.00 N ATOM 780 CA GLY A 46 50.445 -1.809 4.166 1.00 0.00 C ATOM 781 C GLY A 46 50.203 -2.295 2.724 1.00 0.00 C ATOM 782 O GLY A 46 49.068 -2.376 2.290 1.00 0.00 O ATOM 0 H GLY A 46 52.320 -1.498 5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 46 50.365 -2.656 4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 46 49.663 -1.102 4.442 1.00 0.00 H new ATOM 786 N LEU A 47 51.233 -2.634 1.985 1.00 0.00 N ATOM 787 CA LEU A 47 51.006 -3.132 0.581 1.00 0.00 C ATOM 788 C LEU A 47 51.080 -4.665 0.557 1.00 0.00 C ATOM 789 O LEU A 47 51.350 -5.305 1.556 1.00 0.00 O ATOM 790 CB LEU A 47 52.036 -2.506 -0.413 1.00 0.00 C ATOM 791 CG LEU A 47 53.274 -3.396 -0.659 1.00 0.00 C ATOM 792 CD1 LEU A 47 54.293 -2.638 -1.518 1.00 0.00 C ATOM 793 CD2 LEU A 47 53.922 -3.785 0.664 1.00 0.00 C ATOM 0 H LEU A 47 52.208 -2.590 2.283 1.00 0.00 H new ATOM 0 HA LEU A 47 50.012 -2.822 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 47 51.541 -2.315 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 47 52.363 -1.541 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 47 52.954 -4.300 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 47 55.165 -3.269 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 47 53.840 -2.377 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 47 54.599 -1.728 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 47 54.793 -4.412 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 47 54.233 -2.885 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 47 53.205 -4.336 1.272 1.00 0.00 H new ATOM 805 N GLU A 48 50.871 -5.239 -0.595 1.00 0.00 N ATOM 806 CA GLU A 48 50.958 -6.714 -0.732 1.00 0.00 C ATOM 807 C GLU A 48 52.394 -7.061 -1.114 1.00 0.00 C ATOM 808 O GLU A 48 53.038 -6.338 -1.847 1.00 0.00 O ATOM 809 CB GLU A 48 50.000 -7.185 -1.831 1.00 0.00 C ATOM 810 CG GLU A 48 50.019 -8.719 -1.919 1.00 0.00 C ATOM 811 CD GLU A 48 48.585 -9.256 -1.906 1.00 0.00 C ATOM 812 OE1 GLU A 48 47.990 -9.271 -0.841 1.00 0.00 O ATOM 813 OE2 GLU A 48 48.107 -9.641 -2.960 1.00 0.00 O ATOM 0 H GLU A 48 50.641 -4.741 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 48 50.684 -7.204 0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 48 48.989 -6.837 -1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 48 50.291 -6.753 -2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 48 50.527 -9.034 -2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 48 50.580 -9.134 -1.082 1.00 0.00 H new ATOM 820 N LYS A 49 52.907 -8.156 -0.631 1.00 0.00 N ATOM 821 CA LYS A 49 54.312 -8.540 -0.972 1.00 0.00 C ATOM 822 C LYS A 49 54.482 -8.662 -2.494 1.00 0.00 C ATOM 823 O LYS A 49 55.589 -8.646 -2.995 1.00 0.00 O ATOM 824 CB LYS A 49 54.657 -9.874 -0.313 1.00 0.00 C ATOM 825 CG LYS A 49 56.183 -10.042 -0.260 1.00 0.00 C ATOM 826 CD LYS A 49 56.569 -11.430 -0.773 1.00 0.00 C ATOM 827 CE LYS A 49 56.637 -12.405 0.402 1.00 0.00 C ATOM 828 NZ LYS A 49 57.362 -13.637 -0.019 1.00 0.00 N ATOM 0 H LYS A 49 52.418 -8.805 -0.014 1.00 0.00 H new ATOM 0 HA LYS A 49 54.983 -7.765 -0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 49 54.241 -9.912 0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 49 54.210 -10.695 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 49 56.664 -9.274 -0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 49 56.537 -9.910 0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 49 55.839 -11.775 -1.505 1.00 0.00 H new ATOM 0 HD3 LYS A 49 57.533 -11.387 -1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 49 57.147 -11.940 1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 49 55.631 -12.658 0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 57.409 -14.302 0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 56.857 -14.083 -0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 58.326 -13.387 -0.319 1.00 0.00 H new ATOM 842 N ASP A 50 53.402 -8.792 -3.230 1.00 0.00 N ATOM 843 CA ASP A 50 53.512 -8.917 -4.711 1.00 0.00 C ATOM 844 C ASP A 50 53.922 -7.577 -5.328 1.00 0.00 C ATOM 845 O ASP A 50 54.683 -7.543 -6.279 1.00 0.00 O ATOM 846 CB ASP A 50 52.162 -9.352 -5.290 1.00 0.00 C ATOM 847 CG ASP A 50 52.372 -9.967 -6.675 1.00 0.00 C ATOM 848 OD1 ASP A 50 52.869 -11.079 -6.738 1.00 0.00 O ATOM 849 OD2 ASP A 50 52.030 -9.315 -7.649 1.00 0.00 O ATOM 0 H ASP A 50 52.450 -8.816 -2.864 1.00 0.00 H new ATOM 0 HA ASP A 50 54.271 -9.663 -4.946 1.00 0.00 H new ATOM 0 HB2 ASP A 50 51.687 -10.076 -4.628 1.00 0.00 H new ATOM 0 HB3 ASP A 50 51.492 -8.495 -5.359 1.00 0.00 H new ATOM 854 N VAL A 51 53.435 -6.472 -4.807 1.00 0.00 N ATOM 855 CA VAL A 51 53.822 -5.153 -5.388 1.00 0.00 C ATOM 856 C VAL A 51 55.169 -4.713 -4.794 1.00 0.00 C ATOM 857 O VAL A 51 55.906 -3.959 -5.402 1.00 0.00 O ATOM 858 CB VAL A 51 52.727 -4.116 -5.093 1.00 0.00 C ATOM 859 CG1 VAL A 51 52.567 -3.929 -3.581 1.00 0.00 C ATOM 860 CG2 VAL A 51 53.097 -2.779 -5.745 1.00 0.00 C ATOM 0 H VAL A 51 52.794 -6.431 -4.014 1.00 0.00 H new ATOM 0 HA VAL A 51 53.928 -5.239 -6.469 1.00 0.00 H new ATOM 0 HB VAL A 51 51.782 -4.471 -5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 51 51.788 -3.192 -3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 51 52.290 -4.879 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 51 53.509 -3.583 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 51 52.320 -2.044 -5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 51 54.047 -2.428 -5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 51 53.188 -2.913 -6.823 1.00 0.00 H new ATOM 870 N VAL A 52 55.501 -5.194 -3.618 1.00 0.00 N ATOM 871 CA VAL A 52 56.801 -4.822 -2.990 1.00 0.00 C ATOM 872 C VAL A 52 57.931 -5.631 -3.658 1.00 0.00 C ATOM 873 O VAL A 52 59.073 -5.212 -3.683 1.00 0.00 O ATOM 874 CB VAL A 52 56.717 -5.087 -1.456 1.00 0.00 C ATOM 875 CG1 VAL A 52 57.268 -6.472 -1.066 1.00 0.00 C ATOM 876 CG2 VAL A 52 57.502 -4.000 -0.711 1.00 0.00 C ATOM 0 H VAL A 52 54.923 -5.830 -3.068 1.00 0.00 H new ATOM 0 HA VAL A 52 57.017 -3.764 -3.135 1.00 0.00 H new ATOM 0 HB VAL A 52 55.664 -5.064 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 52 57.186 -6.606 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 52 56.694 -7.248 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 52 58.315 -6.544 -1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 52 57.446 -4.182 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 52 58.544 -4.022 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 52 57.074 -3.023 -0.937 1.00 0.00 H new ATOM 886 N ARG A 53 57.612 -6.790 -4.189 1.00 0.00 N ATOM 887 CA ARG A 53 58.654 -7.630 -4.843 1.00 0.00 C ATOM 888 C ARG A 53 58.849 -7.171 -6.289 1.00 0.00 C ATOM 889 O ARG A 53 59.959 -7.124 -6.782 1.00 0.00 O ATOM 890 CB ARG A 53 58.215 -9.095 -4.821 1.00 0.00 C ATOM 891 CG ARG A 53 59.448 -9.998 -4.773 1.00 0.00 C ATOM 892 CD ARG A 53 60.066 -9.960 -3.376 1.00 0.00 C ATOM 893 NE ARG A 53 61.337 -10.735 -3.383 1.00 0.00 N ATOM 894 CZ ARG A 53 62.198 -10.579 -2.418 1.00 0.00 C ATOM 895 NH1 ARG A 53 62.533 -9.379 -2.032 1.00 0.00 N ATOM 896 NH2 ARG A 53 62.723 -11.624 -1.840 1.00 0.00 N ATOM 0 H ARG A 53 56.672 -7.186 -4.195 1.00 0.00 H new ATOM 0 HA ARG A 53 59.596 -7.527 -4.304 1.00 0.00 H new ATOM 0 HB2 ARG A 53 57.580 -9.282 -3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 53 57.621 -9.321 -5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 53 59.171 -11.020 -5.030 1.00 0.00 H new ATOM 0 HG3 ARG A 53 60.179 -9.670 -5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 53 60.256 -8.929 -3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 53 59.373 -10.381 -2.647 1.00 0.00 H new ATOM 0 HE ARG A 53 61.533 -11.387 -4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 53 62.121 -8.564 -2.486 1.00 0.00 H new ATOM 0 HH12 ARG A 53 63.207 -9.256 -1.276 1.00 0.00 H new ATOM 0 HH21 ARG A 53 62.459 -12.561 -2.144 1.00 0.00 H new ATOM 0 HH22 ARG A 53 63.397 -11.504 -1.084 1.00 0.00 H new ATOM 910 N VAL A 54 57.782 -6.827 -6.969 1.00 0.00 N ATOM 911 CA VAL A 54 57.912 -6.361 -8.383 1.00 0.00 C ATOM 912 C VAL A 54 58.704 -5.056 -8.402 1.00 0.00 C ATOM 913 O VAL A 54 59.625 -4.901 -9.184 1.00 0.00 O ATOM 914 CB VAL A 54 56.520 -6.141 -8.989 1.00 0.00 C ATOM 915 CG1 VAL A 54 56.650 -5.721 -10.458 1.00 0.00 C ATOM 916 CG2 VAL A 54 55.719 -7.443 -8.906 1.00 0.00 C ATOM 0 H VAL A 54 56.829 -6.849 -6.606 1.00 0.00 H new ATOM 0 HA VAL A 54 58.434 -7.114 -8.974 1.00 0.00 H new ATOM 0 HB VAL A 54 56.008 -5.355 -8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 54 55.658 -5.567 -10.881 1.00 0.00 H new ATOM 0 HG12 VAL A 54 57.220 -4.794 -10.522 1.00 0.00 H new ATOM 0 HG13 VAL A 54 57.165 -6.503 -11.016 1.00 0.00 H new ATOM 0 HG21 VAL A 54 54.729 -7.289 -9.336 1.00 0.00 H new ATOM 0 HG22 VAL A 54 56.238 -8.225 -9.460 1.00 0.00 H new ATOM 0 HG23 VAL A 54 55.619 -7.743 -7.863 1.00 0.00 H new ATOM 926 N TRP A 55 58.373 -4.122 -7.539 1.00 0.00 N ATOM 927 CA TRP A 55 59.140 -2.844 -7.511 1.00 0.00 C ATOM 928 C TRP A 55 60.572 -3.159 -7.070 1.00 0.00 C ATOM 929 O TRP A 55 61.516 -2.635 -7.629 1.00 0.00 O ATOM 930 CB TRP A 55 58.493 -1.829 -6.539 1.00 0.00 C ATOM 931 CG TRP A 55 59.469 -0.719 -6.240 1.00 0.00 C ATOM 932 CD1 TRP A 55 59.745 0.338 -7.047 1.00 0.00 C ATOM 933 CD2 TRP A 55 60.342 -0.580 -5.081 1.00 0.00 C ATOM 934 NE1 TRP A 55 60.725 1.105 -6.447 1.00 0.00 N ATOM 935 CE2 TRP A 55 61.113 0.590 -5.238 1.00 0.00 C ATOM 936 CE3 TRP A 55 60.535 -1.341 -3.916 1.00 0.00 C ATOM 937 CZ2 TRP A 55 62.039 0.991 -4.285 1.00 0.00 C ATOM 938 CZ3 TRP A 55 61.475 -0.935 -2.954 1.00 0.00 C ATOM 939 CH2 TRP A 55 62.224 0.228 -3.142 1.00 0.00 C ATOM 0 H TRP A 55 57.613 -4.192 -6.862 1.00 0.00 H new ATOM 0 HA TRP A 55 59.137 -2.394 -8.504 1.00 0.00 H new ATOM 0 HB2 TRP A 55 57.584 -1.418 -6.979 1.00 0.00 H new ATOM 0 HB3 TRP A 55 58.203 -2.330 -5.615 1.00 0.00 H new ATOM 0 HD1 TRP A 55 59.277 0.544 -7.998 1.00 0.00 H new ATOM 0 HE1 TRP A 55 61.114 1.955 -6.856 1.00 0.00 H new ATOM 0 HE3 TRP A 55 59.959 -2.241 -3.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 62.613 1.894 -4.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 61.619 -1.527 -2.062 1.00 0.00 H new ATOM 0 HH2 TRP A 55 62.946 0.533 -2.399 1.00 0.00 H new ATOM 950 N PHE A 56 60.741 -3.991 -6.066 1.00 0.00 N ATOM 951 CA PHE A 56 62.125 -4.294 -5.616 1.00 0.00 C ATOM 952 C PHE A 56 62.791 -5.299 -6.549 1.00 0.00 C ATOM 953 O PHE A 56 63.960 -5.592 -6.398 1.00 0.00 O ATOM 954 CB PHE A 56 62.164 -4.798 -4.166 1.00 0.00 C ATOM 955 CG PHE A 56 63.436 -4.280 -3.514 1.00 0.00 C ATOM 956 CD1 PHE A 56 63.734 -2.913 -3.572 1.00 0.00 C ATOM 957 CD2 PHE A 56 64.321 -5.152 -2.871 1.00 0.00 C ATOM 958 CE1 PHE A 56 64.902 -2.418 -3.007 1.00 0.00 C ATOM 959 CE2 PHE A 56 65.499 -4.649 -2.297 1.00 0.00 C ATOM 960 CZ PHE A 56 65.783 -3.278 -2.373 1.00 0.00 C ATOM 0 H PHE A 56 59.994 -4.460 -5.554 1.00 0.00 H new ATOM 0 HA PHE A 56 62.684 -3.359 -5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 56 61.288 -4.449 -3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 56 62.142 -5.888 -4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 56 63.049 -2.237 -4.061 1.00 0.00 H new ATOM 0 HD2 PHE A 56 64.099 -6.207 -2.816 1.00 0.00 H new ATOM 0 HE1 PHE A 56 65.123 -1.362 -3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 56 66.185 -5.317 -1.798 1.00 0.00 H new ATOM 0 HZ PHE A 56 66.692 -2.891 -1.936 1.00 0.00 H new ATOM 970 N CYS A 57 62.090 -5.782 -7.545 1.00 0.00 N ATOM 971 CA CYS A 57 62.735 -6.698 -8.518 1.00 0.00 C ATOM 972 C CYS A 57 63.572 -5.811 -9.436 1.00 0.00 C ATOM 973 O CYS A 57 64.665 -6.158 -9.839 1.00 0.00 O ATOM 974 CB CYS A 57 61.672 -7.451 -9.321 1.00 0.00 C ATOM 975 SG CYS A 57 62.459 -8.770 -10.277 1.00 0.00 S ATOM 0 H CYS A 57 61.106 -5.580 -7.721 1.00 0.00 H new ATOM 0 HA CYS A 57 63.351 -7.447 -8.019 1.00 0.00 H new ATOM 0 HB2 CYS A 57 60.924 -7.871 -8.649 1.00 0.00 H new ATOM 0 HB3 CYS A 57 61.151 -6.764 -9.989 1.00 0.00 H new ATOM 0 HG CYS A 57 61.556 -9.411 -10.958 1.00 0.00 H new ATOM 981 N ASN A 58 63.062 -4.639 -9.731 1.00 0.00 N ATOM 982 CA ASN A 58 63.809 -3.674 -10.578 1.00 0.00 C ATOM 983 C ASN A 58 64.771 -2.870 -9.687 1.00 0.00 C ATOM 984 O ASN A 58 65.796 -2.400 -10.142 1.00 0.00 O ATOM 985 CB ASN A 58 62.821 -2.720 -11.251 1.00 0.00 C ATOM 986 CG ASN A 58 63.499 -2.025 -12.434 1.00 0.00 C ATOM 987 OD1 ASN A 58 64.102 -2.670 -13.269 1.00 0.00 O ATOM 988 ND2 ASN A 58 63.423 -0.727 -12.541 1.00 0.00 N ATOM 0 H ASN A 58 62.149 -4.312 -9.414 1.00 0.00 H new ATOM 0 HA ASN A 58 64.373 -4.209 -11.342 1.00 0.00 H new ATOM 0 HB2 ASN A 58 61.945 -3.271 -11.594 1.00 0.00 H new ATOM 0 HB3 ASN A 58 62.471 -1.978 -10.533 1.00 0.00 H new ATOM 0 HD21 ASN A 58 63.870 -0.253 -13.326 1.00 0.00 H new ATOM 0 HD22 ASN A 58 62.917 -0.186 -11.840 1.00 0.00 H new ATOM 995 N ARG A 59 64.450 -2.713 -8.416 1.00 0.00 N ATOM 996 CA ARG A 59 65.356 -1.943 -7.504 1.00 0.00 C ATOM 997 C ARG A 59 66.535 -2.830 -7.088 1.00 0.00 C ATOM 998 O ARG A 59 67.578 -2.333 -6.705 1.00 0.00 O ATOM 999 CB ARG A 59 64.595 -1.459 -6.240 1.00 0.00 C ATOM 1000 CG ARG A 59 64.644 0.073 -6.117 1.00 0.00 C ATOM 1001 CD ARG A 59 66.085 0.593 -6.243 1.00 0.00 C ATOM 1002 NE ARG A 59 66.248 1.302 -7.547 1.00 0.00 N ATOM 1003 CZ ARG A 59 66.502 2.582 -7.570 1.00 0.00 C ATOM 1004 NH1 ARG A 59 67.726 3.008 -7.423 1.00 0.00 N ATOM 1005 NH2 ARG A 59 65.532 3.434 -7.747 1.00 0.00 N ATOM 0 H ARG A 59 63.606 -3.083 -7.979 1.00 0.00 H new ATOM 0 HA ARG A 59 65.721 -1.067 -8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 59 63.558 -1.790 -6.287 1.00 0.00 H new ATOM 0 HB3 ARG A 59 65.034 -1.913 -5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 59 64.023 0.523 -6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 59 64.227 0.377 -5.157 1.00 0.00 H new ATOM 0 HD2 ARG A 59 66.312 1.269 -5.419 1.00 0.00 H new ATOM 0 HD3 ARG A 59 66.789 -0.237 -6.178 1.00 0.00 H new ATOM 0 HE ARG A 59 66.161 0.785 -8.422 1.00 0.00 H new ATOM 0 HH11 ARG A 59 68.486 2.341 -7.290 1.00 0.00 H new ATOM 0 HH12 ARG A 59 67.923 4.009 -7.441 1.00 0.00 H new ATOM 0 HH21 ARG A 59 64.576 3.100 -7.867 1.00 0.00 H new ATOM 0 HH22 ARG A 59 65.729 4.435 -7.765 1.00 0.00 H new ATOM 1019 N ARG A 60 66.389 -4.136 -7.164 1.00 0.00 N ATOM 1020 CA ARG A 60 67.518 -5.033 -6.776 1.00 0.00 C ATOM 1021 C ARG A 60 68.422 -5.263 -7.994 1.00 0.00 C ATOM 1022 O ARG A 60 69.609 -5.496 -7.860 1.00 0.00 O ATOM 1023 CB ARG A 60 66.974 -6.372 -6.248 1.00 0.00 C ATOM 1024 CG ARG A 60 66.228 -7.129 -7.355 1.00 0.00 C ATOM 1025 CD ARG A 60 65.588 -8.394 -6.771 1.00 0.00 C ATOM 1026 NE ARG A 60 65.777 -9.527 -7.720 1.00 0.00 N ATOM 1027 CZ ARG A 60 65.381 -10.725 -7.390 1.00 0.00 C ATOM 1028 NH1 ARG A 60 64.215 -10.896 -6.830 1.00 0.00 N ATOM 1029 NH2 ARG A 60 66.150 -11.754 -7.624 1.00 0.00 N ATOM 0 H ARG A 60 65.542 -4.611 -7.476 1.00 0.00 H new ATOM 0 HA ARG A 60 68.099 -4.564 -5.982 1.00 0.00 H new ATOM 0 HB2 ARG A 60 67.796 -6.982 -5.874 1.00 0.00 H new ATOM 0 HB3 ARG A 60 66.303 -6.192 -5.408 1.00 0.00 H new ATOM 0 HG2 ARG A 60 65.461 -6.490 -7.793 1.00 0.00 H new ATOM 0 HG3 ARG A 60 66.918 -7.395 -8.156 1.00 0.00 H new ATOM 0 HD2 ARG A 60 66.040 -8.632 -5.808 1.00 0.00 H new ATOM 0 HD3 ARG A 60 64.526 -8.228 -6.592 1.00 0.00 H new ATOM 0 HE ARG A 60 66.216 -9.366 -8.627 1.00 0.00 H new ATOM 0 HH11 ARG A 60 63.613 -10.093 -6.650 1.00 0.00 H new ATOM 0 HH12 ARG A 60 63.906 -11.833 -6.572 1.00 0.00 H new ATOM 0 HH21 ARG A 60 67.060 -11.621 -8.065 1.00 0.00 H new ATOM 0 HH22 ARG A 60 65.841 -12.691 -7.366 1.00 0.00 H new ATOM 1043 N GLN A 61 67.866 -5.193 -9.179 1.00 0.00 N ATOM 1044 CA GLN A 61 68.683 -5.398 -10.409 1.00 0.00 C ATOM 1045 C GLN A 61 68.665 -4.121 -11.249 1.00 0.00 C ATOM 1046 O GLN A 61 68.263 -4.121 -12.400 1.00 0.00 O ATOM 1047 CB GLN A 61 68.111 -6.568 -11.219 1.00 0.00 C ATOM 1048 CG GLN A 61 68.084 -7.839 -10.354 1.00 0.00 C ATOM 1049 CD GLN A 61 68.909 -8.943 -11.021 1.00 0.00 C ATOM 1050 OE1 GLN A 61 68.376 -9.959 -11.419 1.00 0.00 O ATOM 1051 NE2 GLN A 61 70.197 -8.783 -11.159 1.00 0.00 N ATOM 0 H GLN A 61 66.878 -5.002 -9.345 1.00 0.00 H new ATOM 0 HA GLN A 61 69.711 -5.630 -10.131 1.00 0.00 H new ATOM 0 HB2 GLN A 61 67.104 -6.328 -11.560 1.00 0.00 H new ATOM 0 HB3 GLN A 61 68.717 -6.736 -12.109 1.00 0.00 H new ATOM 0 HG2 GLN A 61 68.484 -7.623 -9.363 1.00 0.00 H new ATOM 0 HG3 GLN A 61 67.056 -8.174 -10.217 1.00 0.00 H new ATOM 0 HE21 GLN A 61 70.644 -7.929 -10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 61 70.757 -9.512 -11.602 1.00 0.00 H new ATOM 1060 N LYS A 62 69.116 -3.036 -10.679 1.00 0.00 N ATOM 1061 CA LYS A 62 69.152 -1.751 -11.428 1.00 0.00 C ATOM 1062 C LYS A 62 70.367 -1.751 -12.363 1.00 0.00 C ATOM 1063 O LYS A 62 70.379 -1.077 -13.376 1.00 0.00 O ATOM 1064 CB LYS A 62 69.258 -0.588 -10.433 1.00 0.00 C ATOM 1065 CG LYS A 62 70.509 -0.752 -9.552 1.00 0.00 C ATOM 1066 CD LYS A 62 70.097 -1.023 -8.102 1.00 0.00 C ATOM 1067 CE LYS A 62 71.327 -1.426 -7.280 1.00 0.00 C ATOM 1068 NZ LYS A 62 70.981 -2.581 -6.404 1.00 0.00 N ATOM 0 H LYS A 62 69.463 -2.986 -9.721 1.00 0.00 H new ATOM 0 HA LYS A 62 68.242 -1.636 -12.017 1.00 0.00 H new ATOM 0 HB2 LYS A 62 69.306 0.358 -10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 62 68.366 -0.553 -9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 62 71.121 -1.574 -9.924 1.00 0.00 H new ATOM 0 HG3 LYS A 62 71.120 0.149 -9.603 1.00 0.00 H new ATOM 0 HD2 LYS A 62 69.637 -0.133 -7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 62 69.350 -1.816 -8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 62 72.150 -1.692 -7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 62 71.665 -0.585 -6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 71.815 -2.855 -5.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 70.208 -2.311 -5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 70.678 -3.384 -6.992 1.00 0.00 H new ATOM 1082 N GLY A 63 71.384 -2.510 -12.033 1.00 0.00 N ATOM 1083 CA GLY A 63 72.595 -2.567 -12.896 1.00 0.00 C ATOM 1084 C GLY A 63 73.556 -3.628 -12.356 1.00 0.00 C ATOM 1085 O GLY A 63 74.708 -3.350 -12.079 1.00 0.00 O ATOM 0 H GLY A 63 71.423 -3.094 -11.198 1.00 0.00 H new ATOM 0 HA2 GLY A 63 72.313 -2.805 -13.922 1.00 0.00 H new ATOM 0 HA3 GLY A 63 73.085 -1.594 -12.918 1.00 0.00 H new ATOM 1089 N LYS A 64 73.087 -4.841 -12.203 1.00 0.00 N ATOM 1090 CA LYS A 64 73.965 -5.928 -11.679 1.00 0.00 C ATOM 1091 C LYS A 64 74.108 -7.036 -12.726 1.00 0.00 C ATOM 1092 O LYS A 64 74.332 -8.184 -12.393 1.00 0.00 O ATOM 1093 CB LYS A 64 73.348 -6.514 -10.408 1.00 0.00 C ATOM 1094 CG LYS A 64 74.411 -7.306 -9.646 1.00 0.00 C ATOM 1095 CD LYS A 64 73.747 -8.456 -8.887 1.00 0.00 C ATOM 1096 CE LYS A 64 73.104 -7.922 -7.605 1.00 0.00 C ATOM 1097 NZ LYS A 64 71.729 -7.434 -7.906 1.00 0.00 N ATOM 0 H LYS A 64 72.131 -5.125 -12.419 1.00 0.00 H new ATOM 0 HA LYS A 64 74.948 -5.514 -11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 64 72.954 -5.715 -9.780 1.00 0.00 H new ATOM 0 HB3 LYS A 64 72.509 -7.162 -10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 64 75.155 -7.697 -10.340 1.00 0.00 H new ATOM 0 HG3 LYS A 64 74.936 -6.653 -8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 64 72.992 -8.931 -9.514 1.00 0.00 H new ATOM 0 HD3 LYS A 64 74.486 -9.220 -8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 64 73.066 -8.707 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 64 73.707 -7.113 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 71.061 -7.830 -7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 71.709 -6.396 -7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 71.455 -7.735 -8.863 1.00 0.00 H new ATOM 1111 N ARG A 65 73.981 -6.703 -13.987 1.00 0.00 N ATOM 1112 CA ARG A 65 74.111 -7.739 -15.055 1.00 0.00 C ATOM 1113 C ARG A 65 74.423 -7.066 -16.394 1.00 0.00 C ATOM 1114 O ARG A 65 74.059 -7.564 -17.444 1.00 0.00 O ATOM 1115 CB ARG A 65 72.798 -8.518 -15.172 1.00 0.00 C ATOM 1116 CG ARG A 65 73.066 -9.879 -15.822 1.00 0.00 C ATOM 1117 CD ARG A 65 71.997 -10.886 -15.383 1.00 0.00 C ATOM 1118 NE ARG A 65 72.603 -11.879 -14.451 1.00 0.00 N ATOM 1119 CZ ARG A 65 72.245 -13.134 -14.509 1.00 0.00 C ATOM 1120 NH1 ARG A 65 71.117 -13.516 -13.977 1.00 0.00 N ATOM 1121 NH2 ARG A 65 73.016 -14.007 -15.099 1.00 0.00 N ATOM 0 H ARG A 65 73.793 -5.758 -14.322 1.00 0.00 H new ATOM 0 HA ARG A 65 74.921 -8.422 -14.797 1.00 0.00 H new ATOM 0 HB2 ARG A 65 72.355 -8.655 -14.185 1.00 0.00 H new ATOM 0 HB3 ARG A 65 72.080 -7.954 -15.768 1.00 0.00 H new ATOM 0 HG2 ARG A 65 73.061 -9.781 -16.908 1.00 0.00 H new ATOM 0 HG3 ARG A 65 74.055 -10.239 -15.539 1.00 0.00 H new ATOM 0 HD2 ARG A 65 71.173 -10.367 -14.893 1.00 0.00 H new ATOM 0 HD3 ARG A 65 71.582 -11.394 -16.253 1.00 0.00 H new ATOM 0 HE ARG A 65 73.298 -11.578 -13.767 1.00 0.00 H new ATOM 0 HH11 ARG A 65 70.514 -12.835 -13.516 1.00 0.00 H new ATOM 0 HH12 ARG A 65 70.838 -14.496 -14.022 1.00 0.00 H new ATOM 0 HH21 ARG A 65 73.898 -13.709 -15.515 1.00 0.00 H new ATOM 0 HH22 ARG A 65 72.736 -14.987 -15.144 1.00 0.00 H new ATOM 1135 N SER A 66 75.095 -5.942 -16.367 1.00 0.00 N ATOM 1136 CA SER A 66 75.431 -5.238 -17.639 1.00 0.00 C ATOM 1137 C SER A 66 76.648 -4.333 -17.421 1.00 0.00 C ATOM 1138 O SER A 66 77.747 -4.651 -17.834 1.00 0.00 O ATOM 1139 CB SER A 66 74.236 -4.394 -18.085 1.00 0.00 C ATOM 1140 OG SER A 66 74.645 -3.515 -19.125 1.00 0.00 O ATOM 0 H SER A 66 75.425 -5.483 -15.518 1.00 0.00 H new ATOM 0 HA SER A 66 75.664 -5.973 -18.410 1.00 0.00 H new ATOM 0 HB2 SER A 66 73.430 -5.039 -18.434 1.00 0.00 H new ATOM 0 HB3 SER A 66 73.845 -3.823 -17.243 1.00 0.00 H new ATOM 0 HG SER A 66 73.881 -2.973 -19.415 1.00 0.00 H new ATOM 1146 N SER A 67 76.458 -3.209 -16.776 1.00 0.00 N ATOM 1147 CA SER A 67 77.598 -2.279 -16.528 1.00 0.00 C ATOM 1148 C SER A 67 77.332 -1.478 -15.251 1.00 0.00 C ATOM 1149 O SER A 67 76.337 -1.753 -14.600 1.00 0.00 O ATOM 1150 CB SER A 67 77.741 -1.321 -17.711 1.00 0.00 C ATOM 1151 OG SER A 67 78.970 -0.615 -17.598 1.00 0.00 O ATOM 1152 OXT SER A 67 78.127 -0.605 -14.947 1.00 0.00 O ATOM 0 H SER A 67 75.559 -2.896 -16.410 1.00 0.00 H new ATOM 0 HA SER A 67 78.518 -2.853 -16.413 1.00 0.00 H new ATOM 0 HB2 SER A 67 77.712 -1.876 -18.649 1.00 0.00 H new ATOM 0 HB3 SER A 67 76.906 -0.620 -17.729 1.00 0.00 H new ATOM 0 HG SER A 67 79.071 -0.279 -16.683 1.00 0.00 H new TER 1158 SER A 67