USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 SER OG : rot -81:sc= 0.73 USER MOD Set 1.2: A 52 ASN : amide:sc= -3.33! C(o=-2.6!,f=-2.6!) USER MOD Set 2.1: A 49 LYS NZ :NH3+ 176:sc= -0.333 (180deg=-0.993!) USER MOD Set 2.2: A 53 SER OG : rot 71:sc= -2.72! USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -0.0272 (180deg=-0.343) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 24 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.3) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS :FLIP no HD1:sc= 0.115 F(o=-1.6!,f=0.11) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -42:sc= 0.804 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.88! C(o=-4.9!,f=-6.5!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -9.83! C(o=-9.8!,f=-16!) USER MOD Single : A 59 ASN : amide:sc= -0.0799 K(o=-0.08,f=-2.1!) USER MOD Single : A 60 SER OG : rot 160:sc= -0.0708 USER MOD Single : A 61 THR OG1 : rot 86:sc= 0.139 USER MOD Single : A 63 LYS NZ :NH3+ 167:sc=-0.000185 (180deg=-0.184) USER MOD Single : A 77 SER OG : rot 67:sc= -0.0949 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 13 59.247 4.667 13.829 1.00 1.00 N ATOM 2 CA MET A 13 58.085 4.983 12.951 1.00 1.00 C ATOM 3 C MET A 13 58.588 5.415 11.578 1.00 1.00 C ATOM 4 O MET A 13 57.925 5.196 10.568 1.00 1.00 O ATOM 5 CB MET A 13 57.263 6.113 13.583 1.00 1.00 C ATOM 6 CG MET A 13 55.884 6.172 12.921 1.00 1.00 C ATOM 7 SD MET A 13 54.903 4.747 13.452 1.00 1.00 S ATOM 8 CE MET A 13 53.271 5.470 13.157 1.00 1.00 C ATOM 0 HA MET A 13 57.457 4.099 12.841 1.00 1.00 H new ATOM 0 HB2 MET A 13 57.157 5.945 14.655 1.00 1.00 H new ATOM 0 HB3 MET A 13 57.779 7.065 13.459 1.00 1.00 H new ATOM 0 HG2 MET A 13 55.377 7.098 13.192 1.00 1.00 H new ATOM 0 HG3 MET A 13 55.989 6.172 11.836 1.00 1.00 H new ATOM 0 HE1 MET A 13 52.499 4.747 13.423 1.00 1.00 H new ATOM 0 HE2 MET A 13 53.154 6.366 13.766 1.00 1.00 H new ATOM 0 HE3 MET A 13 53.174 5.733 12.104 1.00 1.00 H new ATOM 18 N ARG A 14 59.769 6.024 11.552 1.00 1.00 N ATOM 19 CA ARG A 14 60.368 6.492 10.318 1.00 1.00 C ATOM 20 C ARG A 14 60.188 5.472 9.195 1.00 1.00 C ATOM 21 O ARG A 14 60.202 5.823 8.020 1.00 1.00 O ATOM 22 CB ARG A 14 61.855 6.747 10.552 1.00 1.00 C ATOM 23 CG ARG A 14 62.406 7.578 9.404 1.00 1.00 C ATOM 24 CD ARG A 14 63.875 7.898 9.670 1.00 1.00 C ATOM 25 NE ARG A 14 64.440 8.649 8.555 1.00 1.00 N ATOM 26 CZ ARG A 14 65.754 8.816 8.435 1.00 1.00 C ATOM 27 NH1 ARG A 14 66.561 8.307 9.325 1.00 1.00 N ATOM 28 NH2 ARG A 14 66.234 9.490 7.427 1.00 1.00 N ATOM 0 H ARG A 14 60.331 6.204 12.384 1.00 1.00 H new ATOM 0 HA ARG A 14 59.872 7.414 10.016 1.00 1.00 H new ATOM 0 HB2 ARG A 14 62.002 7.268 11.498 1.00 1.00 H new ATOM 0 HB3 ARG A 14 62.392 5.801 10.622 1.00 1.00 H new ATOM 0 HG2 ARG A 14 62.305 7.034 8.465 1.00 1.00 H new ATOM 0 HG3 ARG A 14 61.834 8.500 9.301 1.00 1.00 H new ATOM 0 HD2 ARG A 14 63.968 8.475 10.590 1.00 1.00 H new ATOM 0 HD3 ARG A 14 64.435 6.974 9.816 1.00 1.00 H new ATOM 0 HE ARG A 14 63.817 9.053 7.856 1.00 1.00 H new ATOM 0 HH11 ARG A 14 66.184 7.781 10.113 1.00 1.00 H new ATOM 0 HH12 ARG A 14 67.569 8.435 9.232 1.00 1.00 H new ATOM 0 HH21 ARG A 14 65.602 9.888 6.732 1.00 1.00 H new ATOM 0 HH22 ARG A 14 67.241 9.619 7.333 1.00 1.00 H new ATOM 42 N ILE A 15 60.031 4.214 9.570 1.00 1.00 N ATOM 43 CA ILE A 15 59.862 3.143 8.585 1.00 1.00 C ATOM 44 C ILE A 15 58.841 3.566 7.533 1.00 1.00 C ATOM 45 O ILE A 15 59.107 3.525 6.332 1.00 1.00 O ATOM 46 CB ILE A 15 59.393 1.837 9.291 1.00 1.00 C ATOM 47 CG1 ILE A 15 59.441 2.029 10.819 1.00 1.00 C ATOM 48 CG2 ILE A 15 60.313 0.663 8.908 1.00 1.00 C ATOM 49 CD1 ILE A 15 59.099 0.708 11.522 1.00 1.00 C ATOM 0 H ILE A 15 60.016 3.904 10.542 1.00 1.00 H new ATOM 0 HA ILE A 15 60.818 2.953 8.097 1.00 1.00 H new ATOM 0 HB ILE A 15 58.374 1.617 8.974 1.00 1.00 H new ATOM 0 HG12 ILE A 15 60.433 2.366 11.121 1.00 1.00 H new ATOM 0 HG13 ILE A 15 58.736 2.804 11.119 1.00 1.00 H new ATOM 0 HG21 ILE A 15 59.973 -0.244 9.409 1.00 1.00 H new ATOM 0 HG22 ILE A 15 60.283 0.514 7.829 1.00 1.00 H new ATOM 0 HG23 ILE A 15 61.335 0.886 9.215 1.00 1.00 H new ATOM 0 HD11 ILE A 15 59.135 0.851 12.602 1.00 1.00 H new ATOM 0 HD12 ILE A 15 58.098 0.390 11.231 1.00 1.00 H new ATOM 0 HD13 ILE A 15 59.821 -0.056 11.233 1.00 1.00 H new ATOM 61 N TYR A 16 57.685 3.993 8.006 1.00 1.00 N ATOM 62 CA TYR A 16 56.624 4.452 7.123 1.00 1.00 C ATOM 63 C TYR A 16 57.125 5.653 6.322 1.00 1.00 C ATOM 64 O TYR A 16 56.884 5.765 5.121 1.00 1.00 O ATOM 65 CB TYR A 16 55.364 4.797 7.979 1.00 1.00 C ATOM 66 CG TYR A 16 55.086 6.304 8.016 1.00 1.00 C ATOM 67 CD1 TYR A 16 55.769 7.135 8.932 1.00 1.00 C ATOM 68 CD2 TYR A 16 54.140 6.875 7.140 1.00 1.00 C ATOM 69 CE1 TYR A 16 55.514 8.503 8.963 1.00 1.00 C ATOM 70 CE2 TYR A 16 53.891 8.250 7.180 1.00 1.00 C ATOM 71 CZ TYR A 16 54.575 9.064 8.089 1.00 1.00 C ATOM 72 OH TYR A 16 54.324 10.421 8.121 1.00 1.00 O ATOM 0 H TYR A 16 57.455 4.032 8.999 1.00 1.00 H new ATOM 0 HA TYR A 16 56.342 3.674 6.413 1.00 1.00 H new ATOM 0 HB2 TYR A 16 54.496 4.279 7.571 1.00 1.00 H new ATOM 0 HB3 TYR A 16 55.505 4.430 8.996 1.00 1.00 H new ATOM 0 HD1 TYR A 16 56.492 6.707 9.611 1.00 1.00 H new ATOM 0 HD2 TYR A 16 53.608 6.250 6.438 1.00 1.00 H new ATOM 0 HE1 TYR A 16 56.042 9.133 9.663 1.00 1.00 H new ATOM 0 HE2 TYR A 16 53.168 8.685 6.506 1.00 1.00 H new ATOM 0 HH TYR A 16 53.647 10.644 7.449 1.00 1.00 H new ATOM 82 N LYS A 17 57.839 6.533 7.002 1.00 1.00 N ATOM 83 CA LYS A 17 58.394 7.708 6.350 1.00 1.00 C ATOM 84 C LYS A 17 59.411 7.279 5.304 1.00 1.00 C ATOM 85 O LYS A 17 59.538 7.906 4.263 1.00 1.00 O ATOM 86 CB LYS A 17 59.062 8.624 7.379 1.00 1.00 C ATOM 87 CG LYS A 17 59.487 9.928 6.698 1.00 1.00 C ATOM 88 CD LYS A 17 60.023 10.904 7.748 1.00 1.00 C ATOM 89 CE LYS A 17 60.421 12.214 7.068 1.00 1.00 C ATOM 90 NZ LYS A 17 61.604 11.977 6.192 1.00 1.00 N ATOM 0 H LYS A 17 58.047 6.458 7.998 1.00 1.00 H new ATOM 0 HA LYS A 17 57.586 8.257 5.867 1.00 1.00 H new ATOM 0 HB2 LYS A 17 58.372 8.835 8.196 1.00 1.00 H new ATOM 0 HB3 LYS A 17 59.930 8.128 7.814 1.00 1.00 H new ATOM 0 HG2 LYS A 17 60.253 9.726 5.949 1.00 1.00 H new ATOM 0 HG3 LYS A 17 58.639 10.370 6.175 1.00 1.00 H new ATOM 0 HD2 LYS A 17 59.264 11.092 8.507 1.00 1.00 H new ATOM 0 HD3 LYS A 17 60.883 10.470 8.258 1.00 1.00 H new ATOM 0 HE2 LYS A 17 59.589 12.598 6.478 1.00 1.00 H new ATOM 0 HE3 LYS A 17 60.655 12.969 7.818 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 62.061 12.885 5.973 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 62.281 11.358 6.683 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 61.296 11.522 5.309 1.00 1.00 H new ATOM 104 N GLY A 18 60.130 6.198 5.590 1.00 1.00 N ATOM 105 CA GLY A 18 61.128 5.678 4.656 1.00 1.00 C ATOM 106 C GLY A 18 60.462 5.040 3.448 1.00 1.00 C ATOM 107 O GLY A 18 61.020 5.028 2.351 1.00 1.00 O ATOM 0 H GLY A 18 60.043 5.666 6.456 1.00 1.00 H new ATOM 0 HA2 GLY A 18 61.783 6.486 4.330 1.00 1.00 H new ATOM 0 HA3 GLY A 18 61.755 4.943 5.160 1.00 1.00 H new ATOM 111 N VAL A 19 59.274 4.488 3.664 1.00 1.00 N ATOM 112 CA VAL A 19 58.549 3.821 2.598 1.00 1.00 C ATOM 113 C VAL A 19 58.186 4.829 1.513 1.00 1.00 C ATOM 114 O VAL A 19 57.855 4.459 0.386 1.00 1.00 O ATOM 115 CB VAL A 19 57.294 3.124 3.155 1.00 1.00 C ATOM 116 CG1 VAL A 19 56.320 2.764 2.012 1.00 1.00 C ATOM 117 CG2 VAL A 19 57.710 1.831 3.871 1.00 1.00 C ATOM 0 H VAL A 19 58.797 4.491 4.565 1.00 1.00 H new ATOM 0 HA VAL A 19 59.185 3.054 2.156 1.00 1.00 H new ATOM 0 HB VAL A 19 56.797 3.803 3.848 1.00 1.00 H new ATOM 0 HG11 VAL A 19 55.439 2.272 2.426 1.00 1.00 H new ATOM 0 HG12 VAL A 19 56.017 3.673 1.492 1.00 1.00 H new ATOM 0 HG13 VAL A 19 56.815 2.092 1.310 1.00 1.00 H new ATOM 0 HG21 VAL A 19 56.825 1.334 4.267 1.00 1.00 H new ATOM 0 HG22 VAL A 19 58.212 1.170 3.165 1.00 1.00 H new ATOM 0 HG23 VAL A 19 58.389 2.071 4.690 1.00 1.00 H new ATOM 127 N ILE A 20 58.259 6.103 1.867 1.00 1.00 N ATOM 128 CA ILE A 20 57.947 7.175 0.927 1.00 1.00 C ATOM 129 C ILE A 20 58.775 6.968 -0.333 1.00 1.00 C ATOM 130 O ILE A 20 58.318 7.235 -1.442 1.00 1.00 O ATOM 131 CB ILE A 20 58.323 8.535 1.574 1.00 1.00 C ATOM 132 CG1 ILE A 20 57.237 8.968 2.597 1.00 1.00 C ATOM 133 CG2 ILE A 20 58.497 9.643 0.513 1.00 1.00 C ATOM 134 CD1 ILE A 20 55.855 9.109 1.918 1.00 1.00 C ATOM 0 H ILE A 20 58.531 6.422 2.797 1.00 1.00 H new ATOM 0 HA ILE A 20 56.885 7.169 0.680 1.00 1.00 H new ATOM 0 HB ILE A 20 59.275 8.397 2.086 1.00 1.00 H new ATOM 0 HG12 ILE A 20 57.177 8.234 3.401 1.00 1.00 H new ATOM 0 HG13 ILE A 20 57.520 9.917 3.052 1.00 1.00 H new ATOM 0 HG21 ILE A 20 58.760 10.580 1.005 1.00 1.00 H new ATOM 0 HG22 ILE A 20 59.290 9.362 -0.180 1.00 1.00 H new ATOM 0 HG23 ILE A 20 57.564 9.771 -0.036 1.00 1.00 H new ATOM 0 HD11 ILE A 20 55.115 9.413 2.658 1.00 1.00 H new ATOM 0 HD12 ILE A 20 55.911 9.861 1.131 1.00 1.00 H new ATOM 0 HD13 ILE A 20 55.563 8.152 1.485 1.00 1.00 H new ATOM 146 N GLN A 21 59.993 6.484 -0.150 1.00 1.00 N ATOM 147 CA GLN A 21 60.881 6.238 -1.278 1.00 1.00 C ATOM 148 C GLN A 21 60.124 5.466 -2.348 1.00 1.00 C ATOM 149 O GLN A 21 60.227 5.766 -3.536 1.00 1.00 O ATOM 150 CB GLN A 21 62.091 5.419 -0.815 1.00 1.00 C ATOM 151 CG GLN A 21 62.936 6.246 0.161 1.00 1.00 C ATOM 152 CD GLN A 21 64.089 5.403 0.695 1.00 1.00 C ATOM 153 OE1 GLN A 21 64.789 4.745 -0.075 1.00 1.00 O ATOM 154 NE2 GLN A 21 64.330 5.384 1.977 1.00 1.00 N ATOM 0 H GLN A 21 60.389 6.255 0.762 1.00 1.00 H new ATOM 0 HA GLN A 21 61.227 7.188 -1.684 1.00 1.00 H new ATOM 0 HB2 GLN A 21 61.757 4.500 -0.333 1.00 1.00 H new ATOM 0 HB3 GLN A 21 62.694 5.126 -1.675 1.00 1.00 H new ATOM 0 HG2 GLN A 21 63.324 7.132 -0.342 1.00 1.00 H new ATOM 0 HG3 GLN A 21 62.316 6.594 0.987 1.00 1.00 H new ATOM 0 HE21 GLN A 21 63.749 5.930 2.613 1.00 1.00 H new ATOM 0 HE22 GLN A 21 65.099 4.823 2.343 1.00 1.00 H new ATOM 163 N ALA A 22 59.332 4.493 -1.910 1.00 1.00 N ATOM 164 CA ALA A 22 58.527 3.706 -2.836 1.00 1.00 C ATOM 165 C ALA A 22 57.442 4.590 -3.448 1.00 1.00 C ATOM 166 O ALA A 22 57.131 4.483 -4.634 1.00 1.00 O ATOM 167 CB ALA A 22 57.871 2.532 -2.102 1.00 1.00 C ATOM 0 H ALA A 22 59.231 4.232 -0.929 1.00 1.00 H new ATOM 0 HA ALA A 22 59.173 3.317 -3.623 1.00 1.00 H new ATOM 0 HB1 ALA A 22 57.273 1.952 -2.805 1.00 1.00 H new ATOM 0 HB2 ALA A 22 58.643 1.895 -1.671 1.00 1.00 H new ATOM 0 HB3 ALA A 22 57.230 2.913 -1.307 1.00 1.00 H new ATOM 173 N ILE A 23 56.867 5.455 -2.615 1.00 1.00 N ATOM 174 CA ILE A 23 55.809 6.357 -3.059 1.00 1.00 C ATOM 175 C ILE A 23 56.327 7.364 -4.083 1.00 1.00 C ATOM 176 O ILE A 23 55.705 7.577 -5.124 1.00 1.00 O ATOM 177 CB ILE A 23 55.228 7.100 -1.852 1.00 1.00 C ATOM 178 CG1 ILE A 23 54.757 6.085 -0.792 1.00 1.00 C ATOM 179 CG2 ILE A 23 54.052 7.976 -2.300 1.00 1.00 C ATOM 180 CD1 ILE A 23 53.713 5.118 -1.379 1.00 1.00 C ATOM 0 H ILE A 23 57.116 5.550 -1.630 1.00 1.00 H new ATOM 0 HA ILE A 23 55.032 5.760 -3.537 1.00 1.00 H new ATOM 0 HB ILE A 23 55.998 7.736 -1.416 1.00 1.00 H new ATOM 0 HG12 ILE A 23 55.612 5.520 -0.419 1.00 1.00 H new ATOM 0 HG13 ILE A 23 54.329 6.615 0.059 1.00 1.00 H new ATOM 0 HG21 ILE A 23 53.642 8.503 -1.438 1.00 1.00 H new ATOM 0 HG22 ILE A 23 54.398 8.701 -3.037 1.00 1.00 H new ATOM 0 HG23 ILE A 23 53.279 7.348 -2.743 1.00 1.00 H new ATOM 0 HD11 ILE A 23 53.398 4.413 -0.610 1.00 1.00 H new ATOM 0 HD12 ILE A 23 52.849 5.684 -1.729 1.00 1.00 H new ATOM 0 HD13 ILE A 23 54.152 4.572 -2.214 1.00 1.00 H new ATOM 192 N GLN A 24 57.461 7.986 -3.777 1.00 1.00 N ATOM 193 CA GLN A 24 58.045 8.981 -4.670 1.00 1.00 C ATOM 194 C GLN A 24 58.776 8.321 -5.832 1.00 1.00 C ATOM 195 O GLN A 24 59.090 8.981 -6.821 1.00 1.00 O ATOM 196 CB GLN A 24 59.023 9.868 -3.896 1.00 1.00 C ATOM 197 CG GLN A 24 58.246 10.808 -2.971 1.00 1.00 C ATOM 198 CD GLN A 24 57.489 11.847 -3.792 1.00 1.00 C ATOM 199 OE1 GLN A 24 58.085 12.535 -4.621 1.00 1.00 O ATOM 200 NE2 GLN A 24 56.206 12.003 -3.613 1.00 1.00 N ATOM 0 H GLN A 24 57.992 7.820 -2.922 1.00 1.00 H new ATOM 0 HA GLN A 24 57.232 9.587 -5.071 1.00 1.00 H new ATOM 0 HB2 GLN A 24 59.706 9.250 -3.312 1.00 1.00 H new ATOM 0 HB3 GLN A 24 59.632 10.447 -4.591 1.00 1.00 H new ATOM 0 HG2 GLN A 24 57.547 10.235 -2.362 1.00 1.00 H new ATOM 0 HG3 GLN A 24 58.932 11.305 -2.286 1.00 1.00 H new ATOM 0 HE21 GLN A 24 55.714 11.432 -2.926 1.00 1.00 H new ATOM 0 HE22 GLN A 24 55.695 12.696 -4.160 1.00 1.00 H new ATOM 209 N LYS A 25 59.062 7.031 -5.705 1.00 1.00 N ATOM 210 CA LYS A 25 59.777 6.326 -6.766 1.00 1.00 C ATOM 211 C LYS A 25 59.176 6.650 -8.133 1.00 1.00 C ATOM 212 O LYS A 25 59.906 6.824 -9.110 1.00 1.00 O ATOM 213 CB LYS A 25 59.722 4.816 -6.525 1.00 1.00 C ATOM 214 CG LYS A 25 60.571 4.093 -7.571 1.00 1.00 C ATOM 215 CD LYS A 25 60.567 2.594 -7.272 1.00 1.00 C ATOM 216 CE LYS A 25 61.428 1.861 -8.304 1.00 1.00 C ATOM 217 NZ LYS A 25 61.467 0.408 -7.970 1.00 1.00 N ATOM 0 H LYS A 25 58.817 6.460 -4.896 1.00 1.00 H new ATOM 0 HA LYS A 25 60.816 6.656 -6.754 1.00 1.00 H new ATOM 0 HB2 LYS A 25 60.087 4.585 -5.524 1.00 1.00 H new ATOM 0 HB3 LYS A 25 58.690 4.468 -6.577 1.00 1.00 H new ATOM 0 HG2 LYS A 25 60.175 4.278 -8.569 1.00 1.00 H new ATOM 0 HG3 LYS A 25 61.591 4.476 -7.557 1.00 1.00 H new ATOM 0 HD2 LYS A 25 60.951 2.412 -6.268 1.00 1.00 H new ATOM 0 HD3 LYS A 25 59.547 2.211 -7.297 1.00 1.00 H new ATOM 0 HE2 LYS A 25 61.019 2.005 -9.304 1.00 1.00 H new ATOM 0 HE3 LYS A 25 62.438 2.272 -8.310 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 62.051 -0.093 -8.669 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 61.876 0.281 -7.022 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 60.501 0.022 -7.985 1.00 1.00 H new ATOM 231 N SER A 26 57.851 6.728 -8.203 1.00 1.00 N ATOM 232 CA SER A 26 57.178 7.030 -9.454 1.00 1.00 C ATOM 233 C SER A 26 57.607 6.052 -10.529 1.00 1.00 C ATOM 234 O SER A 26 58.709 6.151 -11.062 1.00 1.00 O ATOM 235 CB SER A 26 57.502 8.437 -9.909 1.00 1.00 C ATOM 236 OG SER A 26 56.788 9.371 -9.112 1.00 1.00 O ATOM 0 H SER A 26 57.227 6.586 -7.409 1.00 1.00 H new ATOM 0 HA SER A 26 56.104 6.945 -9.288 1.00 1.00 H new ATOM 0 HB2 SER A 26 58.574 8.619 -9.828 1.00 1.00 H new ATOM 0 HB3 SER A 26 57.236 8.561 -10.959 1.00 1.00 H new ATOM 0 HG SER A 26 57.000 10.281 -9.406 1.00 1.00 H new ATOM 242 N ASP A 27 56.721 5.115 -10.813 1.00 1.00 N ATOM 243 CA ASP A 27 56.949 4.062 -11.819 1.00 1.00 C ATOM 244 C ASP A 27 56.218 2.803 -11.376 1.00 1.00 C ATOM 245 O ASP A 27 55.742 2.021 -12.198 1.00 1.00 O ATOM 246 CB ASP A 27 58.458 3.762 -11.998 1.00 1.00 C ATOM 247 CG ASP A 27 58.682 2.388 -12.634 1.00 1.00 C ATOM 248 OD1 ASP A 27 57.821 1.954 -13.380 1.00 1.00 O ATOM 249 OD2 ASP A 27 59.713 1.794 -12.363 1.00 1.00 O ATOM 0 H ASP A 27 55.812 5.052 -10.355 1.00 1.00 H new ATOM 0 HA ASP A 27 56.569 4.406 -12.781 1.00 1.00 H new ATOM 0 HB2 ASP A 27 58.912 4.532 -12.622 1.00 1.00 H new ATOM 0 HB3 ASP A 27 58.956 3.802 -11.029 1.00 1.00 H new ATOM 254 N GLU A 28 56.126 2.625 -10.058 1.00 1.00 N ATOM 255 CA GLU A 28 55.438 1.465 -9.487 1.00 1.00 C ATOM 256 C GLU A 28 54.462 1.914 -8.391 1.00 1.00 C ATOM 257 O GLU A 28 54.697 1.664 -7.210 1.00 1.00 O ATOM 258 CB GLU A 28 56.456 0.487 -8.898 1.00 1.00 C ATOM 259 CG GLU A 28 57.300 -0.112 -10.024 1.00 1.00 C ATOM 260 CD GLU A 28 58.329 -1.078 -9.447 1.00 1.00 C ATOM 261 OE1 GLU A 28 58.311 -1.285 -8.245 1.00 1.00 O ATOM 262 OE2 GLU A 28 59.115 -1.605 -10.219 1.00 1.00 O ATOM 0 H GLU A 28 56.517 3.266 -9.367 1.00 1.00 H new ATOM 0 HA GLU A 28 54.880 0.967 -10.280 1.00 1.00 H new ATOM 0 HB2 GLU A 28 57.098 1.001 -8.182 1.00 1.00 H new ATOM 0 HB3 GLU A 28 55.942 -0.305 -8.354 1.00 1.00 H new ATOM 0 HG2 GLU A 28 56.657 -0.633 -10.733 1.00 1.00 H new ATOM 0 HG3 GLU A 28 57.804 0.683 -10.574 1.00 1.00 H new ATOM 269 N GLY A 29 53.360 2.578 -8.786 1.00 1.00 N ATOM 270 CA GLY A 29 52.357 3.045 -7.830 1.00 1.00 C ATOM 271 C GLY A 29 51.160 2.098 -7.814 1.00 1.00 C ATOM 272 O GLY A 29 50.292 2.191 -6.946 1.00 1.00 O ATOM 0 H GLY A 29 53.148 2.799 -9.759 1.00 1.00 H new ATOM 0 HA2 GLY A 29 52.795 3.106 -6.834 1.00 1.00 H new ATOM 0 HA3 GLY A 29 52.031 4.050 -8.097 1.00 1.00 H new ATOM 276 N HIS A 30 51.119 1.184 -8.783 1.00 1.00 N ATOM 277 CA HIS A 30 50.023 0.228 -8.861 1.00 1.00 C ATOM 278 C HIS A 30 50.087 -0.795 -7.707 1.00 1.00 C ATOM 279 O HIS A 30 49.043 -1.227 -7.217 1.00 1.00 O ATOM 280 CB HIS A 30 50.000 -0.489 -10.233 1.00 1.00 C ATOM 281 CG HIS A 30 50.771 0.320 -11.246 1.00 1.00 C ATOM 282 ND1 HIS A 30 52.110 0.390 -11.542 1.00 1.00 N flip ATOM 283 CD2 HIS A 30 50.147 1.204 -12.113 1.00 1.00 C flip ATOM 284 CE1 HIS A 30 52.317 1.300 -12.574 1.00 1.00 C flip ATOM 285 NE2 HIS A 30 51.101 1.762 -12.881 1.00 1.00 N flip ATOM 0 H HIS A 30 51.823 1.088 -9.514 1.00 1.00 H new ATOM 0 HA HIS A 30 49.093 0.788 -8.760 1.00 1.00 H new ATOM 0 HB2 HIS A 30 50.436 -1.484 -10.141 1.00 1.00 H new ATOM 0 HB3 HIS A 30 48.971 -0.621 -10.567 1.00 1.00 H new ATOM 0 HD2 HIS A 30 49.088 1.408 -12.163 1.00 1.00 H new ATOM 0 HE1 HIS A 30 53.257 1.574 -13.029 1.00 1.00 H new ATOM 0 HE2 HIS A 30 50.918 2.453 -13.609 1.00 1.00 H new ATOM 293 N PRO A 31 51.266 -1.176 -7.243 1.00 1.00 N ATOM 294 CA PRO A 31 51.402 -2.137 -6.116 1.00 1.00 C ATOM 295 C PRO A 31 51.363 -1.397 -4.778 1.00 1.00 C ATOM 296 O PRO A 31 51.903 -1.859 -3.772 1.00 1.00 O ATOM 297 CB PRO A 31 52.768 -2.804 -6.358 1.00 1.00 C ATOM 298 CG PRO A 31 53.562 -1.844 -7.218 1.00 1.00 C ATOM 299 CD PRO A 31 52.588 -0.742 -7.717 1.00 1.00 C ATOM 0 HA PRO A 31 50.594 -2.867 -6.074 1.00 1.00 H new ATOM 0 HB2 PRO A 31 53.280 -2.996 -5.415 1.00 1.00 H new ATOM 0 HB3 PRO A 31 52.648 -3.766 -6.857 1.00 1.00 H new ATOM 0 HG2 PRO A 31 54.378 -1.403 -6.646 1.00 1.00 H new ATOM 0 HG3 PRO A 31 54.011 -2.368 -8.062 1.00 1.00 H new ATOM 0 HD2 PRO A 31 52.853 0.235 -7.313 1.00 1.00 H new ATOM 0 HD3 PRO A 31 52.611 -0.654 -8.803 1.00 1.00 H new ATOM 307 N PHE A 32 50.730 -0.230 -4.806 1.00 1.00 N ATOM 308 CA PHE A 32 50.608 0.628 -3.632 1.00 1.00 C ATOM 309 C PHE A 32 50.479 -0.172 -2.334 1.00 1.00 C ATOM 310 O PHE A 32 51.427 -0.255 -1.552 1.00 1.00 O ATOM 311 CB PHE A 32 49.376 1.516 -3.816 1.00 1.00 C ATOM 312 CG PHE A 32 49.165 2.372 -2.587 1.00 1.00 C ATOM 313 CD1 PHE A 32 50.117 3.335 -2.236 1.00 1.00 C ATOM 314 CD2 PHE A 32 48.016 2.207 -1.804 1.00 1.00 C ATOM 315 CE1 PHE A 32 49.923 4.129 -1.100 1.00 1.00 C ATOM 316 CE2 PHE A 32 47.821 2.997 -0.670 1.00 1.00 C ATOM 317 CZ PHE A 32 48.775 3.960 -0.315 1.00 1.00 C ATOM 0 H PHE A 32 50.287 0.149 -5.643 1.00 1.00 H new ATOM 0 HA PHE A 32 51.516 1.225 -3.546 1.00 1.00 H new ATOM 0 HB2 PHE A 32 49.503 2.150 -4.693 1.00 1.00 H new ATOM 0 HB3 PHE A 32 48.496 0.898 -3.994 1.00 1.00 H new ATOM 0 HD1 PHE A 32 51.002 3.466 -2.842 1.00 1.00 H new ATOM 0 HD2 PHE A 32 47.279 1.467 -2.078 1.00 1.00 H new ATOM 0 HE1 PHE A 32 50.658 4.872 -0.828 1.00 1.00 H new ATOM 0 HE2 PHE A 32 46.935 2.866 -0.066 1.00 1.00 H new ATOM 0 HZ PHE A 32 48.625 4.571 0.563 1.00 1.00 H new ATOM 327 N ARG A 33 49.309 -0.751 -2.104 1.00 1.00 N ATOM 328 CA ARG A 33 49.081 -1.527 -0.893 1.00 1.00 C ATOM 329 C ARG A 33 49.887 -2.816 -0.905 1.00 1.00 C ATOM 330 O ARG A 33 50.347 -3.274 0.135 1.00 1.00 O ATOM 331 CB ARG A 33 47.592 -1.829 -0.716 1.00 1.00 C ATOM 332 CG ARG A 33 47.008 -2.384 -2.031 1.00 1.00 C ATOM 333 CD ARG A 33 45.527 -2.754 -1.836 1.00 1.00 C ATOM 334 NE ARG A 33 44.969 -3.261 -3.082 1.00 1.00 N ATOM 335 CZ ARG A 33 43.713 -3.693 -3.151 1.00 1.00 C ATOM 336 NH1 ARG A 33 42.951 -3.655 -2.092 1.00 1.00 N ATOM 337 NH2 ARG A 33 43.243 -4.150 -4.278 1.00 1.00 N ATOM 0 H ARG A 33 48.509 -0.699 -2.734 1.00 1.00 H new ATOM 0 HA ARG A 33 49.416 -0.928 -0.047 1.00 1.00 H new ATOM 0 HB2 ARG A 33 47.452 -2.552 0.088 1.00 1.00 H new ATOM 0 HB3 ARG A 33 47.060 -0.923 -0.426 1.00 1.00 H new ATOM 0 HG2 ARG A 33 47.104 -1.641 -2.823 1.00 1.00 H new ATOM 0 HG3 ARG A 33 47.572 -3.262 -2.347 1.00 1.00 H new ATOM 0 HD2 ARG A 33 45.432 -3.507 -1.053 1.00 1.00 H new ATOM 0 HD3 ARG A 33 44.966 -1.879 -1.507 1.00 1.00 H new ATOM 0 HE ARG A 33 45.553 -3.285 -3.918 1.00 1.00 H new ATOM 0 HH11 ARG A 33 43.319 -3.294 -1.212 1.00 1.00 H new ATOM 0 HH12 ARG A 33 41.988 -3.986 -2.145 1.00 1.00 H new ATOM 0 HH21 ARG A 33 43.838 -4.176 -5.106 1.00 1.00 H new ATOM 0 HH22 ARG A 33 42.280 -4.482 -4.332 1.00 1.00 H new ATOM 351 N ALA A 34 50.059 -3.400 -2.077 1.00 1.00 N ATOM 352 CA ALA A 34 50.820 -4.641 -2.168 1.00 1.00 C ATOM 353 C ALA A 34 52.222 -4.442 -1.590 1.00 1.00 C ATOM 354 O ALA A 34 52.849 -5.387 -1.114 1.00 1.00 O ATOM 355 CB ALA A 34 50.896 -5.169 -3.618 1.00 1.00 C ATOM 0 H ALA A 34 49.693 -3.049 -2.962 1.00 1.00 H new ATOM 0 HA ALA A 34 50.296 -5.395 -1.580 1.00 1.00 H new ATOM 0 HB1 ALA A 34 51.472 -6.094 -3.639 1.00 1.00 H new ATOM 0 HB2 ALA A 34 49.889 -5.360 -3.989 1.00 1.00 H new ATOM 0 HB3 ALA A 34 51.381 -4.426 -4.251 1.00 1.00 H new ATOM 361 N TYR A 35 52.706 -3.203 -1.632 1.00 1.00 N ATOM 362 CA TYR A 35 54.039 -2.900 -1.102 1.00 1.00 C ATOM 363 C TYR A 35 54.139 -3.312 0.373 1.00 1.00 C ATOM 364 O TYR A 35 55.220 -3.637 0.862 1.00 1.00 O ATOM 365 CB TYR A 35 54.344 -1.378 -1.231 1.00 1.00 C ATOM 366 CG TYR A 35 55.836 -1.156 -1.458 1.00 1.00 C ATOM 367 CD1 TYR A 35 56.729 -1.150 -0.365 1.00 1.00 C ATOM 368 CD2 TYR A 35 56.338 -0.952 -2.765 1.00 1.00 C ATOM 369 CE1 TYR A 35 58.096 -0.943 -0.579 1.00 1.00 C ATOM 370 CE2 TYR A 35 57.708 -0.746 -2.964 1.00 1.00 C ATOM 371 CZ TYR A 35 58.584 -0.743 -1.874 1.00 1.00 C ATOM 372 OH TYR A 35 59.934 -0.540 -2.078 1.00 1.00 O ATOM 0 H TYR A 35 52.207 -2.402 -2.020 1.00 1.00 H new ATOM 0 HA TYR A 35 54.768 -3.465 -1.683 1.00 1.00 H new ATOM 0 HB2 TYR A 35 53.776 -0.955 -2.060 1.00 1.00 H new ATOM 0 HB3 TYR A 35 54.025 -0.858 -0.328 1.00 1.00 H new ATOM 0 HD1 TYR A 35 56.357 -1.305 0.637 1.00 1.00 H new ATOM 0 HD2 TYR A 35 55.664 -0.955 -3.609 1.00 1.00 H new ATOM 0 HE1 TYR A 35 58.777 -0.938 0.259 1.00 1.00 H new ATOM 0 HE2 TYR A 35 58.090 -0.589 -3.962 1.00 1.00 H new ATOM 0 HH TYR A 35 60.106 -0.419 -3.035 1.00 1.00 H new ATOM 382 N LEU A 36 53.012 -3.282 1.075 1.00 1.00 N ATOM 383 CA LEU A 36 52.986 -3.634 2.494 1.00 1.00 C ATOM 384 C LEU A 36 53.448 -5.067 2.719 1.00 1.00 C ATOM 385 O LEU A 36 54.071 -5.375 3.731 1.00 1.00 O ATOM 386 CB LEU A 36 51.568 -3.456 3.049 1.00 1.00 C ATOM 387 CG LEU A 36 51.338 -1.977 3.419 1.00 1.00 C ATOM 388 CD1 LEU A 36 51.734 -1.045 2.260 1.00 1.00 C ATOM 389 CD2 LEU A 36 49.865 -1.769 3.738 1.00 1.00 C ATOM 0 H LEU A 36 52.106 -3.019 0.688 1.00 1.00 H new ATOM 0 HA LEU A 36 53.673 -2.969 3.018 1.00 1.00 H new ATOM 0 HB2 LEU A 36 50.834 -3.774 2.308 1.00 1.00 H new ATOM 0 HB3 LEU A 36 51.429 -4.087 3.927 1.00 1.00 H new ATOM 0 HG LEU A 36 51.958 -1.738 4.283 1.00 1.00 H new ATOM 0 HD11 LEU A 36 51.561 -0.009 2.551 1.00 1.00 H new ATOM 0 HD12 LEU A 36 52.789 -1.184 2.025 1.00 1.00 H new ATOM 0 HD13 LEU A 36 51.133 -1.281 1.382 1.00 1.00 H new ATOM 0 HD21 LEU A 36 49.694 -0.725 4.001 1.00 1.00 H new ATOM 0 HD22 LEU A 36 49.264 -2.027 2.866 1.00 1.00 H new ATOM 0 HD23 LEU A 36 49.581 -2.406 4.576 1.00 1.00 H new ATOM 401 N GLU A 37 53.130 -5.940 1.785 1.00 1.00 N ATOM 402 CA GLU A 37 53.510 -7.327 1.909 1.00 1.00 C ATOM 403 C GLU A 37 55.017 -7.471 2.130 1.00 1.00 C ATOM 404 O GLU A 37 55.456 -8.206 3.013 1.00 1.00 O ATOM 405 CB GLU A 37 53.106 -8.050 0.624 1.00 1.00 C ATOM 406 CG GLU A 37 53.596 -9.499 0.651 1.00 1.00 C ATOM 407 CD GLU A 37 53.065 -10.225 1.879 1.00 1.00 C ATOM 408 OE1 GLU A 37 53.595 -9.994 2.954 1.00 1.00 O ATOM 409 OE2 GLU A 37 52.131 -10.995 1.733 1.00 1.00 O ATOM 0 H GLU A 37 52.612 -5.713 0.936 1.00 1.00 H new ATOM 0 HA GLU A 37 53.005 -7.762 2.772 1.00 1.00 H new ATOM 0 HB2 GLU A 37 52.022 -8.028 0.512 1.00 1.00 H new ATOM 0 HB3 GLU A 37 53.526 -7.533 -0.239 1.00 1.00 H new ATOM 0 HG2 GLU A 37 53.270 -10.015 -0.252 1.00 1.00 H new ATOM 0 HG3 GLU A 37 54.686 -9.519 0.654 1.00 1.00 H new ATOM 416 N SER A 38 55.800 -6.784 1.301 1.00 1.00 N ATOM 417 CA SER A 38 57.259 -6.859 1.387 1.00 1.00 C ATOM 418 C SER A 38 57.802 -6.119 2.607 1.00 1.00 C ATOM 419 O SER A 38 58.921 -6.376 3.038 1.00 1.00 O ATOM 420 CB SER A 38 57.875 -6.268 0.119 1.00 1.00 C ATOM 421 OG SER A 38 57.659 -4.862 0.113 1.00 1.00 O ATOM 0 H SER A 38 55.451 -6.171 0.564 1.00 1.00 H new ATOM 0 HA SER A 38 57.530 -7.910 1.489 1.00 1.00 H new ATOM 0 HB2 SER A 38 58.942 -6.485 0.082 1.00 1.00 H new ATOM 0 HB3 SER A 38 57.426 -6.722 -0.765 1.00 1.00 H new ATOM 0 HG SER A 38 56.744 -4.670 0.407 1.00 1.00 H new ATOM 427 N GLU A 39 57.011 -5.199 3.157 1.00 1.00 N ATOM 428 CA GLU A 39 57.443 -4.432 4.316 1.00 1.00 C ATOM 429 C GLU A 39 57.589 -5.333 5.531 1.00 1.00 C ATOM 430 O GLU A 39 58.198 -4.949 6.529 1.00 1.00 O ATOM 431 CB GLU A 39 56.429 -3.315 4.625 1.00 1.00 C ATOM 432 CG GLU A 39 56.521 -2.210 3.569 1.00 1.00 C ATOM 433 CD GLU A 39 55.414 -1.188 3.799 1.00 1.00 C ATOM 434 OE1 GLU A 39 54.648 -1.373 4.731 1.00 1.00 O ATOM 435 OE2 GLU A 39 55.345 -0.235 3.040 1.00 1.00 O ATOM 0 H GLU A 39 56.076 -4.970 2.820 1.00 1.00 H new ATOM 0 HA GLU A 39 58.411 -3.987 4.086 1.00 1.00 H new ATOM 0 HB2 GLU A 39 55.420 -3.726 4.645 1.00 1.00 H new ATOM 0 HB3 GLU A 39 56.624 -2.900 5.614 1.00 1.00 H new ATOM 0 HG2 GLU A 39 57.495 -1.724 3.621 1.00 1.00 H new ATOM 0 HG3 GLU A 39 56.432 -2.639 2.571 1.00 1.00 H new ATOM 442 N VAL A 40 57.004 -6.523 5.456 1.00 1.00 N ATOM 443 CA VAL A 40 57.058 -7.445 6.582 1.00 1.00 C ATOM 444 C VAL A 40 58.449 -8.068 6.755 1.00 1.00 C ATOM 445 O VAL A 40 58.999 -8.055 7.855 1.00 1.00 O ATOM 446 CB VAL A 40 55.998 -8.556 6.441 1.00 1.00 C ATOM 447 CG1 VAL A 40 56.216 -9.613 7.531 1.00 1.00 C ATOM 448 CG2 VAL A 40 54.586 -7.962 6.596 1.00 1.00 C ATOM 0 H VAL A 40 56.495 -6.867 4.642 1.00 1.00 H new ATOM 0 HA VAL A 40 56.841 -6.859 7.475 1.00 1.00 H new ATOM 0 HB VAL A 40 56.094 -9.012 5.455 1.00 1.00 H new ATOM 0 HG11 VAL A 40 55.467 -10.398 7.431 1.00 1.00 H new ATOM 0 HG12 VAL A 40 57.211 -10.045 7.425 1.00 1.00 H new ATOM 0 HG13 VAL A 40 56.125 -9.148 8.512 1.00 1.00 H new ATOM 0 HG21 VAL A 40 53.845 -8.755 6.495 1.00 1.00 H new ATOM 0 HG22 VAL A 40 54.491 -7.500 7.579 1.00 1.00 H new ATOM 0 HG23 VAL A 40 54.421 -7.210 5.824 1.00 1.00 H new ATOM 458 N ALA A 41 59.016 -8.613 5.678 1.00 1.00 N ATOM 459 CA ALA A 41 60.340 -9.230 5.775 1.00 1.00 C ATOM 460 C ALA A 41 61.409 -8.153 5.915 1.00 1.00 C ATOM 461 O ALA A 41 62.564 -8.431 6.239 1.00 1.00 O ATOM 462 CB ALA A 41 60.632 -10.100 4.540 1.00 1.00 C ATOM 0 H ALA A 41 58.593 -8.641 4.750 1.00 1.00 H new ATOM 0 HA ALA A 41 60.355 -9.869 6.658 1.00 1.00 H new ATOM 0 HB1 ALA A 41 61.621 -10.547 4.636 1.00 1.00 H new ATOM 0 HB2 ALA A 41 59.883 -10.888 4.465 1.00 1.00 H new ATOM 0 HB3 ALA A 41 60.599 -9.481 3.643 1.00 1.00 H new ATOM 468 N ILE A 42 60.997 -6.920 5.658 1.00 1.00 N ATOM 469 CA ILE A 42 61.885 -5.761 5.733 1.00 1.00 C ATOM 470 C ILE A 42 61.818 -5.111 7.110 1.00 1.00 C ATOM 471 O ILE A 42 62.822 -4.621 7.626 1.00 1.00 O ATOM 472 CB ILE A 42 61.450 -4.765 4.666 1.00 1.00 C ATOM 473 CG1 ILE A 42 61.717 -5.388 3.292 1.00 1.00 C ATOM 474 CG2 ILE A 42 62.215 -3.446 4.816 1.00 1.00 C ATOM 475 CD1 ILE A 42 61.168 -4.494 2.168 1.00 1.00 C ATOM 0 H ILE A 42 60.039 -6.691 5.392 1.00 1.00 H new ATOM 0 HA ILE A 42 62.915 -6.077 5.566 1.00 1.00 H new ATOM 0 HB ILE A 42 60.388 -4.544 4.775 1.00 1.00 H new ATOM 0 HG12 ILE A 42 62.789 -5.533 3.156 1.00 1.00 H new ATOM 0 HG13 ILE A 42 61.253 -6.373 3.238 1.00 1.00 H new ATOM 0 HG21 ILE A 42 61.890 -2.747 4.045 1.00 1.00 H new ATOM 0 HG22 ILE A 42 62.016 -3.020 5.799 1.00 1.00 H new ATOM 0 HG23 ILE A 42 63.284 -3.631 4.711 1.00 1.00 H new ATOM 0 HD11 ILE A 42 61.370 -4.958 1.203 1.00 1.00 H new ATOM 0 HD12 ILE A 42 60.092 -4.371 2.294 1.00 1.00 H new ATOM 0 HD13 ILE A 42 61.652 -3.518 2.210 1.00 1.00 H new ATOM 487 N SER A 43 60.610 -5.099 7.661 1.00 1.00 N ATOM 488 CA SER A 43 60.318 -4.509 8.972 1.00 1.00 C ATOM 489 C SER A 43 61.559 -4.353 9.861 1.00 1.00 C ATOM 490 O SER A 43 61.707 -3.345 10.553 1.00 1.00 O ATOM 491 CB SER A 43 59.291 -5.378 9.698 1.00 1.00 C ATOM 492 OG SER A 43 59.017 -4.812 10.973 1.00 1.00 O ATOM 0 H SER A 43 59.791 -5.503 7.207 1.00 1.00 H new ATOM 0 HA SER A 43 59.931 -3.507 8.787 1.00 1.00 H new ATOM 0 HB2 SER A 43 58.374 -5.445 9.112 1.00 1.00 H new ATOM 0 HB3 SER A 43 59.671 -6.393 9.812 1.00 1.00 H new ATOM 0 HG SER A 43 58.358 -5.365 11.442 1.00 1.00 H new ATOM 498 N GLU A 44 62.440 -5.350 9.847 1.00 1.00 N ATOM 499 CA GLU A 44 63.656 -5.298 10.671 1.00 1.00 C ATOM 500 C GLU A 44 64.509 -4.072 10.326 1.00 1.00 C ATOM 501 O GLU A 44 64.784 -3.239 11.192 1.00 1.00 O ATOM 502 CB GLU A 44 64.487 -6.585 10.479 1.00 1.00 C ATOM 503 CG GLU A 44 63.912 -7.729 11.335 1.00 1.00 C ATOM 504 CD GLU A 44 64.673 -9.022 11.064 1.00 1.00 C ATOM 505 OE1 GLU A 44 65.590 -8.993 10.261 1.00 1.00 O ATOM 506 OE2 GLU A 44 64.325 -10.024 11.667 1.00 1.00 O ATOM 0 H GLU A 44 62.342 -6.195 9.284 1.00 1.00 H new ATOM 0 HA GLU A 44 63.350 -5.219 11.714 1.00 1.00 H new ATOM 0 HB2 GLU A 44 64.485 -6.873 9.428 1.00 1.00 H new ATOM 0 HB3 GLU A 44 65.525 -6.400 10.757 1.00 1.00 H new ATOM 0 HG2 GLU A 44 63.981 -7.472 12.392 1.00 1.00 H new ATOM 0 HG3 GLU A 44 62.855 -7.866 11.109 1.00 1.00 H new ATOM 513 N GLU A 45 64.929 -3.958 9.066 1.00 1.00 N ATOM 514 CA GLU A 45 65.753 -2.818 8.639 1.00 1.00 C ATOM 515 C GLU A 45 65.304 -2.343 7.262 1.00 1.00 C ATOM 516 O GLU A 45 65.499 -3.035 6.263 1.00 1.00 O ATOM 517 CB GLU A 45 67.223 -3.223 8.592 1.00 1.00 C ATOM 518 CG GLU A 45 67.697 -3.612 9.994 1.00 1.00 C ATOM 519 CD GLU A 45 69.150 -4.069 9.939 1.00 1.00 C ATOM 520 OE1 GLU A 45 69.707 -4.077 8.854 1.00 1.00 O ATOM 521 OE2 GLU A 45 69.685 -4.406 10.984 1.00 1.00 O ATOM 0 H GLU A 45 64.718 -4.630 8.328 1.00 1.00 H new ATOM 0 HA GLU A 45 65.632 -2.006 9.356 1.00 1.00 H new ATOM 0 HB2 GLU A 45 67.358 -4.060 7.907 1.00 1.00 H new ATOM 0 HB3 GLU A 45 67.825 -2.399 8.210 1.00 1.00 H new ATOM 0 HG2 GLU A 45 67.599 -2.763 10.670 1.00 1.00 H new ATOM 0 HG3 GLU A 45 67.070 -4.410 10.392 1.00 1.00 H new ATOM 528 N LEU A 46 64.671 -1.173 7.216 1.00 1.00 N ATOM 529 CA LEU A 46 64.167 -0.649 5.950 1.00 1.00 C ATOM 530 C LEU A 46 65.256 -0.221 4.971 1.00 1.00 C ATOM 531 O LEU A 46 65.249 -0.659 3.828 1.00 1.00 O ATOM 532 CB LEU A 46 63.224 0.533 6.205 1.00 1.00 C ATOM 533 CG LEU A 46 62.690 1.091 4.870 1.00 1.00 C ATOM 534 CD1 LEU A 46 62.012 -0.028 4.051 1.00 1.00 C ATOM 535 CD2 LEU A 46 61.668 2.201 5.145 1.00 1.00 C ATOM 0 H LEU A 46 64.497 -0.579 8.026 1.00 1.00 H new ATOM 0 HA LEU A 46 63.636 -1.477 5.481 1.00 1.00 H new ATOM 0 HB2 LEU A 46 62.392 0.214 6.832 1.00 1.00 H new ATOM 0 HB3 LEU A 46 63.751 1.316 6.749 1.00 1.00 H new ATOM 0 HG LEU A 46 63.529 1.492 4.302 1.00 1.00 H new ATOM 0 HD11 LEU A 46 61.641 0.382 3.112 1.00 1.00 H new ATOM 0 HD12 LEU A 46 62.736 -0.815 3.842 1.00 1.00 H new ATOM 0 HD13 LEU A 46 61.180 -0.442 4.620 1.00 1.00 H new ATOM 0 HD21 LEU A 46 61.293 2.593 4.199 1.00 1.00 H new ATOM 0 HD22 LEU A 46 60.838 1.796 5.725 1.00 1.00 H new ATOM 0 HD23 LEU A 46 62.145 3.004 5.707 1.00 1.00 H new ATOM 547 N VAL A 47 66.156 0.662 5.392 1.00 1.00 N ATOM 548 CA VAL A 47 67.196 1.150 4.481 1.00 1.00 C ATOM 549 C VAL A 47 68.279 0.102 4.197 1.00 1.00 C ATOM 550 O VAL A 47 68.733 -0.034 3.061 1.00 1.00 O ATOM 551 CB VAL A 47 67.849 2.415 5.056 1.00 1.00 C ATOM 552 CG1 VAL A 47 66.767 3.403 5.497 1.00 1.00 C ATOM 553 CG2 VAL A 47 68.716 2.036 6.263 1.00 1.00 C ATOM 0 H VAL A 47 66.191 1.049 6.335 1.00 1.00 H new ATOM 0 HA VAL A 47 66.703 1.374 3.535 1.00 1.00 H new ATOM 0 HB VAL A 47 68.469 2.880 4.290 1.00 1.00 H new ATOM 0 HG11 VAL A 47 67.236 4.299 5.904 1.00 1.00 H new ATOM 0 HG12 VAL A 47 66.151 3.674 4.640 1.00 1.00 H new ATOM 0 HG13 VAL A 47 66.142 2.941 6.262 1.00 1.00 H new ATOM 0 HG21 VAL A 47 69.181 2.933 6.673 1.00 1.00 H new ATOM 0 HG22 VAL A 47 68.093 1.569 7.026 1.00 1.00 H new ATOM 0 HG23 VAL A 47 69.491 1.337 5.949 1.00 1.00 H new ATOM 563 N GLN A 48 68.715 -0.618 5.228 1.00 1.00 N ATOM 564 CA GLN A 48 69.772 -1.618 5.045 1.00 1.00 C ATOM 565 C GLN A 48 69.315 -2.742 4.123 1.00 1.00 C ATOM 566 O GLN A 48 70.020 -3.100 3.180 1.00 1.00 O ATOM 567 CB GLN A 48 70.199 -2.208 6.406 1.00 1.00 C ATOM 568 CG GLN A 48 70.274 -1.100 7.477 1.00 1.00 C ATOM 569 CD GLN A 48 70.746 -1.683 8.802 1.00 1.00 C ATOM 570 OE1 GLN A 48 70.040 -1.596 9.807 1.00 1.00 O ATOM 571 NE2 GLN A 48 71.905 -2.281 8.867 1.00 1.00 N ATOM 0 H GLN A 48 68.363 -0.534 6.182 1.00 1.00 H new ATOM 0 HA GLN A 48 70.624 -1.117 4.585 1.00 1.00 H new ATOM 0 HB2 GLN A 48 69.488 -2.974 6.716 1.00 1.00 H new ATOM 0 HB3 GLN A 48 71.170 -2.695 6.309 1.00 1.00 H new ATOM 0 HG2 GLN A 48 70.957 -0.315 7.152 1.00 1.00 H new ATOM 0 HG3 GLN A 48 69.295 -0.638 7.602 1.00 1.00 H new ATOM 0 HE21 GLN A 48 72.489 -2.353 8.034 1.00 1.00 H new ATOM 0 HE22 GLN A 48 72.226 -2.676 9.751 1.00 1.00 H new ATOM 580 N LYS A 49 68.146 -3.302 4.405 1.00 1.00 N ATOM 581 CA LYS A 49 67.630 -4.401 3.600 1.00 1.00 C ATOM 582 C LYS A 49 67.393 -3.950 2.183 1.00 1.00 C ATOM 583 O LYS A 49 67.701 -4.663 1.228 1.00 1.00 O ATOM 584 CB LYS A 49 66.329 -4.920 4.215 1.00 1.00 C ATOM 585 CG LYS A 49 65.785 -6.155 3.459 1.00 1.00 C ATOM 586 CD LYS A 49 66.687 -7.366 3.700 1.00 1.00 C ATOM 587 CE LYS A 49 65.991 -8.685 3.248 1.00 1.00 C ATOM 588 NZ LYS A 49 64.721 -8.375 2.529 1.00 1.00 N ATOM 0 H LYS A 49 67.543 -3.017 5.177 1.00 1.00 H new ATOM 0 HA LYS A 49 68.366 -5.205 3.585 1.00 1.00 H new ATOM 0 HB2 LYS A 49 66.500 -5.180 5.260 1.00 1.00 H new ATOM 0 HB3 LYS A 49 65.580 -4.128 4.202 1.00 1.00 H new ATOM 0 HG2 LYS A 49 64.771 -6.376 3.793 1.00 1.00 H new ATOM 0 HG3 LYS A 49 65.730 -5.941 2.392 1.00 1.00 H new ATOM 0 HD2 LYS A 49 67.623 -7.240 3.155 1.00 1.00 H new ATOM 0 HD3 LYS A 49 66.940 -7.429 4.758 1.00 1.00 H new ATOM 0 HE2 LYS A 49 66.657 -9.252 2.598 1.00 1.00 H new ATOM 0 HE3 LYS A 49 65.783 -9.311 4.116 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 64.299 -9.257 2.173 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 64.057 -7.912 3.182 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 64.920 -7.740 1.730 1.00 1.00 H new ATOM 602 N TYR A 50 66.849 -2.768 2.069 1.00 1.00 N ATOM 603 CA TYR A 50 66.561 -2.190 0.784 1.00 1.00 C ATOM 604 C TYR A 50 67.839 -2.059 -0.051 1.00 1.00 C ATOM 605 O TYR A 50 67.883 -2.481 -1.205 1.00 1.00 O ATOM 606 CB TYR A 50 65.931 -0.820 1.063 1.00 1.00 C ATOM 607 CG TYR A 50 66.080 0.117 -0.116 1.00 1.00 C ATOM 608 CD1 TYR A 50 65.427 -0.165 -1.317 1.00 1.00 C ATOM 609 CD2 TYR A 50 66.869 1.267 0.003 1.00 1.00 C ATOM 610 CE1 TYR A 50 65.558 0.704 -2.404 1.00 1.00 C ATOM 611 CE2 TYR A 50 67.004 2.138 -1.078 1.00 1.00 C ATOM 612 CZ TYR A 50 66.347 1.857 -2.288 1.00 1.00 C ATOM 613 OH TYR A 50 66.478 2.714 -3.361 1.00 1.00 O ATOM 0 H TYR A 50 66.594 -2.180 2.862 1.00 1.00 H new ATOM 0 HA TYR A 50 65.882 -2.818 0.207 1.00 1.00 H new ATOM 0 HB2 TYR A 50 64.874 -0.947 1.295 1.00 1.00 H new ATOM 0 HB3 TYR A 50 66.400 -0.376 1.941 1.00 1.00 H new ATOM 0 HD1 TYR A 50 64.821 -1.054 -1.406 1.00 1.00 H new ATOM 0 HD2 TYR A 50 67.374 1.480 0.933 1.00 1.00 H new ATOM 0 HE1 TYR A 50 65.052 0.487 -3.333 1.00 1.00 H new ATOM 0 HE2 TYR A 50 67.612 3.026 -0.985 1.00 1.00 H new ATOM 0 HH TYR A 50 67.058 3.464 -3.112 1.00 1.00 H new ATOM 623 N SER A 51 68.870 -1.475 0.543 1.00 1.00 N ATOM 624 CA SER A 51 70.138 -1.297 -0.150 1.00 1.00 C ATOM 625 C SER A 51 70.853 -2.633 -0.326 1.00 1.00 C ATOM 626 O SER A 51 71.568 -2.844 -1.306 1.00 1.00 O ATOM 627 CB SER A 51 71.037 -0.331 0.643 1.00 1.00 C ATOM 628 OG SER A 51 71.249 -0.849 1.950 1.00 1.00 O ATOM 0 H SER A 51 68.854 -1.118 1.498 1.00 1.00 H new ATOM 0 HA SER A 51 69.933 -0.880 -1.136 1.00 1.00 H new ATOM 0 HB2 SER A 51 71.991 -0.202 0.132 1.00 1.00 H new ATOM 0 HB3 SER A 51 70.571 0.653 0.701 1.00 1.00 H new ATOM 0 HG SER A 51 70.479 -0.633 2.516 1.00 1.00 H new ATOM 634 N ASN A 52 70.691 -3.515 0.655 1.00 1.00 N ATOM 635 CA ASN A 52 71.358 -4.813 0.630 1.00 1.00 C ATOM 636 C ASN A 52 70.617 -5.890 -0.172 1.00 1.00 C ATOM 637 O ASN A 52 71.137 -6.390 -1.169 1.00 1.00 O ATOM 638 CB ASN A 52 71.557 -5.295 2.064 1.00 1.00 C ATOM 639 CG ASN A 52 72.354 -4.256 2.845 1.00 1.00 C ATOM 640 OD1 ASN A 52 72.107 -4.041 4.031 1.00 1.00 O ATOM 641 ND2 ASN A 52 73.305 -3.594 2.244 1.00 1.00 N ATOM 0 H ASN A 52 70.106 -3.356 1.475 1.00 1.00 H new ATOM 0 HA ASN A 52 72.309 -4.662 0.120 1.00 1.00 H new ATOM 0 HB2 ASN A 52 70.591 -5.461 2.540 1.00 1.00 H new ATOM 0 HB3 ASN A 52 72.082 -6.250 2.068 1.00 1.00 H new ATOM 0 HD21 ASN A 52 73.845 -2.897 2.758 1.00 1.00 H new ATOM 0 HD22 ASN A 52 73.509 -3.773 1.261 1.00 1.00 H new ATOM 648 N SER A 53 69.421 -6.279 0.282 1.00 1.00 N ATOM 649 CA SER A 53 68.662 -7.339 -0.405 1.00 1.00 C ATOM 650 C SER A 53 67.673 -6.797 -1.419 1.00 1.00 C ATOM 651 O SER A 53 66.505 -7.183 -1.453 1.00 1.00 O ATOM 652 CB SER A 53 67.923 -8.186 0.603 1.00 1.00 C ATOM 653 OG SER A 53 66.724 -7.526 0.988 1.00 1.00 O ATOM 0 H SER A 53 68.962 -5.888 1.105 1.00 1.00 H new ATOM 0 HA SER A 53 69.392 -7.940 -0.947 1.00 1.00 H new ATOM 0 HB2 SER A 53 67.692 -9.162 0.175 1.00 1.00 H new ATOM 0 HB3 SER A 53 68.551 -8.362 1.477 1.00 1.00 H new ATOM 0 HG SER A 53 66.088 -7.542 0.243 1.00 1.00 H new ATOM 659 N ALA A 54 68.159 -5.918 -2.262 1.00 1.00 N ATOM 660 CA ALA A 54 67.336 -5.340 -3.305 1.00 1.00 C ATOM 661 C ALA A 54 66.949 -6.416 -4.297 1.00 1.00 C ATOM 662 O ALA A 54 65.977 -6.284 -5.037 1.00 1.00 O ATOM 663 CB ALA A 54 68.087 -4.231 -4.014 1.00 1.00 C ATOM 0 H ALA A 54 69.123 -5.584 -2.249 1.00 1.00 H new ATOM 0 HA ALA A 54 66.436 -4.919 -2.856 1.00 1.00 H new ATOM 0 HB1 ALA A 54 67.456 -3.806 -4.795 1.00 1.00 H new ATOM 0 HB2 ALA A 54 68.350 -3.453 -3.297 1.00 1.00 H new ATOM 0 HB3 ALA A 54 68.996 -4.635 -4.461 1.00 1.00 H new ATOM 669 N LEU A 55 67.748 -7.469 -4.326 1.00 1.00 N ATOM 670 CA LEU A 55 67.520 -8.572 -5.255 1.00 1.00 C ATOM 671 C LEU A 55 66.577 -9.608 -4.658 1.00 1.00 C ATOM 672 O LEU A 55 66.156 -10.541 -5.344 1.00 1.00 O ATOM 673 CB LEU A 55 68.868 -9.231 -5.607 1.00 1.00 C ATOM 674 CG LEU A 55 69.737 -8.259 -6.447 1.00 1.00 C ATOM 675 CD1 LEU A 55 70.539 -7.327 -5.526 1.00 1.00 C ATOM 676 CD2 LEU A 55 70.724 -9.047 -7.322 1.00 1.00 C ATOM 0 H LEU A 55 68.560 -7.587 -3.720 1.00 1.00 H new ATOM 0 HA LEU A 55 67.056 -8.174 -6.157 1.00 1.00 H new ATOM 0 HB2 LEU A 55 69.396 -9.506 -4.694 1.00 1.00 H new ATOM 0 HB3 LEU A 55 68.696 -10.151 -6.165 1.00 1.00 H new ATOM 0 HG LEU A 55 69.070 -7.671 -7.078 1.00 1.00 H new ATOM 0 HD11 LEU A 55 71.144 -6.651 -6.130 1.00 1.00 H new ATOM 0 HD12 LEU A 55 69.853 -6.747 -4.909 1.00 1.00 H new ATOM 0 HD13 LEU A 55 71.190 -7.921 -4.885 1.00 1.00 H new ATOM 0 HD21 LEU A 55 71.327 -8.352 -7.906 1.00 1.00 H new ATOM 0 HD22 LEU A 55 71.375 -9.647 -6.686 1.00 1.00 H new ATOM 0 HD23 LEU A 55 70.171 -9.702 -7.995 1.00 1.00 H new ATOM 688 N GLY A 56 66.241 -9.444 -3.378 1.00 1.00 N ATOM 689 CA GLY A 56 65.341 -10.382 -2.698 1.00 1.00 C ATOM 690 C GLY A 56 64.003 -9.732 -2.340 1.00 1.00 C ATOM 691 O GLY A 56 62.994 -10.422 -2.209 1.00 1.00 O ATOM 0 H GLY A 56 66.574 -8.678 -2.793 1.00 1.00 H new ATOM 0 HA2 GLY A 56 65.165 -11.246 -3.339 1.00 1.00 H new ATOM 0 HA3 GLY A 56 65.819 -10.751 -1.791 1.00 1.00 H new ATOM 695 N HIS A 57 64.001 -8.411 -2.179 1.00 1.00 N ATOM 696 CA HIS A 57 62.775 -7.694 -1.825 1.00 1.00 C ATOM 697 C HIS A 57 61.896 -7.469 -3.050 1.00 1.00 C ATOM 698 O HIS A 57 60.737 -7.081 -2.924 1.00 1.00 O ATOM 699 CB HIS A 57 63.132 -6.336 -1.187 1.00 1.00 C ATOM 700 CG HIS A 57 63.642 -5.361 -2.215 1.00 1.00 C ATOM 701 ND1 HIS A 57 63.721 -5.665 -3.559 1.00 1.00 N ATOM 702 CD2 HIS A 57 64.105 -4.075 -2.093 1.00 1.00 C ATOM 703 CE1 HIS A 57 64.215 -4.592 -4.194 1.00 1.00 C ATOM 704 NE2 HIS A 57 64.470 -3.591 -3.350 1.00 1.00 N ATOM 0 H HIS A 57 64.825 -7.819 -2.286 1.00 1.00 H new ATOM 0 HA HIS A 57 62.219 -8.302 -1.111 1.00 1.00 H new ATOM 0 HB2 HIS A 57 62.252 -5.921 -0.695 1.00 1.00 H new ATOM 0 HB3 HIS A 57 63.888 -6.483 -0.416 1.00 1.00 H new ATOM 0 HD2 HIS A 57 64.176 -3.523 -1.167 1.00 1.00 H new ATOM 0 HE1 HIS A 57 64.386 -4.544 -5.259 1.00 1.00 H new ATOM 0 HE2 HIS A 57 64.849 -2.671 -3.575 1.00 1.00 H new ATOM 712 N VAL A 58 62.468 -7.667 -4.230 1.00 1.00 N ATOM 713 CA VAL A 58 61.733 -7.431 -5.464 1.00 1.00 C ATOM 714 C VAL A 58 60.753 -8.558 -5.786 1.00 1.00 C ATOM 715 O VAL A 58 59.548 -8.316 -5.852 1.00 1.00 O ATOM 716 CB VAL A 58 62.719 -7.201 -6.613 1.00 1.00 C ATOM 717 CG1 VAL A 58 63.457 -8.498 -6.970 1.00 1.00 C ATOM 718 CG2 VAL A 58 61.945 -6.691 -7.826 1.00 1.00 C ATOM 0 H VAL A 58 63.428 -7.987 -4.358 1.00 1.00 H new ATOM 0 HA VAL A 58 61.127 -6.535 -5.329 1.00 1.00 H new ATOM 0 HB VAL A 58 63.463 -6.466 -6.305 1.00 1.00 H new ATOM 0 HG11 VAL A 58 64.151 -8.308 -7.789 1.00 1.00 H new ATOM 0 HG12 VAL A 58 64.010 -8.853 -6.100 1.00 1.00 H new ATOM 0 HG13 VAL A 58 62.735 -9.255 -7.275 1.00 1.00 H new ATOM 0 HG21 VAL A 58 62.635 -6.522 -8.653 1.00 1.00 H new ATOM 0 HG22 VAL A 58 61.200 -7.431 -8.120 1.00 1.00 H new ATOM 0 HG23 VAL A 58 61.447 -5.755 -7.573 1.00 1.00 H new ATOM 728 N ASN A 59 61.243 -9.775 -6.013 1.00 1.00 N ATOM 729 CA ASN A 59 60.336 -10.865 -6.346 1.00 1.00 C ATOM 730 C ASN A 59 59.511 -11.280 -5.144 1.00 1.00 C ATOM 731 O ASN A 59 58.328 -11.591 -5.271 1.00 1.00 O ATOM 732 CB ASN A 59 61.063 -12.089 -6.893 1.00 1.00 C ATOM 733 CG ASN A 59 61.634 -11.787 -8.274 1.00 1.00 C ATOM 734 OD1 ASN A 59 61.189 -10.850 -8.938 1.00 1.00 O ATOM 735 ND2 ASN A 59 62.597 -12.529 -8.750 1.00 1.00 N ATOM 0 H ASN A 59 62.231 -10.025 -5.974 1.00 1.00 H new ATOM 0 HA ASN A 59 59.682 -10.478 -7.127 1.00 1.00 H new ATOM 0 HB2 ASN A 59 61.866 -12.378 -6.215 1.00 1.00 H new ATOM 0 HB3 ASN A 59 60.376 -12.933 -6.952 1.00 1.00 H new ATOM 0 HD21 ASN A 59 62.983 -12.333 -9.674 1.00 1.00 H new ATOM 0 HD22 ASN A 59 62.964 -13.304 -8.198 1.00 1.00 H new ATOM 742 N SER A 60 60.138 -11.302 -3.971 1.00 1.00 N ATOM 743 CA SER A 60 59.429 -11.709 -2.770 1.00 1.00 C ATOM 744 C SER A 60 58.121 -10.949 -2.697 1.00 1.00 C ATOM 745 O SER A 60 57.102 -11.467 -2.270 1.00 1.00 O ATOM 746 CB SER A 60 60.271 -11.408 -1.529 1.00 1.00 C ATOM 747 OG SER A 60 60.400 -10.000 -1.374 1.00 1.00 O ATOM 0 H SER A 60 61.116 -11.048 -3.831 1.00 1.00 H new ATOM 0 HA SER A 60 59.237 -12.781 -2.806 1.00 1.00 H new ATOM 0 HB2 SER A 60 59.803 -11.841 -0.645 1.00 1.00 H new ATOM 0 HB3 SER A 60 61.256 -11.866 -1.624 1.00 1.00 H new ATOM 0 HG SER A 60 60.645 -9.794 -0.448 1.00 1.00 H new ATOM 753 N THR A 61 58.153 -9.721 -3.150 1.00 1.00 N ATOM 754 CA THR A 61 56.958 -8.914 -3.147 1.00 1.00 C ATOM 755 C THR A 61 55.895 -9.500 -4.061 1.00 1.00 C ATOM 756 O THR A 61 54.724 -9.559 -3.699 1.00 1.00 O ATOM 757 CB THR A 61 57.300 -7.497 -3.611 1.00 1.00 C ATOM 758 OG1 THR A 61 58.392 -7.012 -2.847 1.00 1.00 O ATOM 759 CG2 THR A 61 56.089 -6.581 -3.418 1.00 1.00 C ATOM 0 H THR A 61 58.984 -9.261 -3.522 1.00 1.00 H new ATOM 0 HA THR A 61 56.563 -8.893 -2.131 1.00 1.00 H new ATOM 0 HB THR A 61 57.567 -7.512 -4.668 1.00 1.00 H new ATOM 0 HG1 THR A 61 59.233 -7.305 -3.256 1.00 1.00 H new ATOM 0 HG21 THR A 61 56.338 -5.573 -3.750 1.00 1.00 H new ATOM 0 HG22 THR A 61 55.250 -6.959 -4.003 1.00 1.00 H new ATOM 0 HG23 THR A 61 55.815 -6.558 -2.363 1.00 1.00 H new ATOM 767 N ILE A 62 56.301 -9.899 -5.254 1.00 1.00 N ATOM 768 CA ILE A 62 55.357 -10.443 -6.220 1.00 1.00 C ATOM 769 C ILE A 62 54.874 -11.823 -5.795 1.00 1.00 C ATOM 770 O ILE A 62 53.725 -12.179 -6.013 1.00 1.00 O ATOM 771 CB ILE A 62 55.977 -10.515 -7.605 1.00 1.00 C ATOM 772 CG1 ILE A 62 56.679 -9.171 -7.923 1.00 1.00 C ATOM 773 CG2 ILE A 62 54.874 -10.766 -8.638 1.00 1.00 C ATOM 774 CD1 ILE A 62 57.651 -9.345 -9.083 1.00 1.00 C ATOM 0 H ILE A 62 57.268 -9.858 -5.577 1.00 1.00 H new ATOM 0 HA ILE A 62 54.500 -9.770 -6.256 1.00 1.00 H new ATOM 0 HB ILE A 62 56.705 -11.325 -7.640 1.00 1.00 H new ATOM 0 HG12 ILE A 62 55.935 -8.414 -8.173 1.00 1.00 H new ATOM 0 HG13 ILE A 62 57.213 -8.814 -7.042 1.00 1.00 H new ATOM 0 HG21 ILE A 62 55.314 -10.819 -9.634 1.00 1.00 H new ATOM 0 HG22 ILE A 62 54.372 -11.707 -8.413 1.00 1.00 H new ATOM 0 HG23 ILE A 62 54.151 -9.951 -8.603 1.00 1.00 H new ATOM 0 HD11 ILE A 62 58.137 -8.393 -9.296 1.00 1.00 H new ATOM 0 HD12 ILE A 62 58.405 -10.086 -8.818 1.00 1.00 H new ATOM 0 HD13 ILE A 62 57.107 -9.680 -9.966 1.00 1.00 H new ATOM 786 N LYS A 63 55.761 -12.620 -5.236 1.00 1.00 N ATOM 787 CA LYS A 63 55.395 -13.964 -4.815 1.00 1.00 C ATOM 788 C LYS A 63 54.413 -13.937 -3.625 1.00 1.00 C ATOM 789 O LYS A 63 53.481 -14.739 -3.560 1.00 1.00 O ATOM 790 CB LYS A 63 56.683 -14.753 -4.434 1.00 1.00 C ATOM 791 CG LYS A 63 57.245 -15.468 -5.672 1.00 1.00 C ATOM 792 CD LYS A 63 57.617 -14.431 -6.727 1.00 1.00 C ATOM 793 CE LYS A 63 58.304 -15.120 -7.908 1.00 1.00 C ATOM 794 NZ LYS A 63 57.323 -15.985 -8.620 1.00 1.00 N ATOM 0 H LYS A 63 56.734 -12.367 -5.062 1.00 1.00 H new ATOM 0 HA LYS A 63 54.891 -14.460 -5.644 1.00 1.00 H new ATOM 0 HB2 LYS A 63 57.430 -14.072 -4.027 1.00 1.00 H new ATOM 0 HB3 LYS A 63 56.457 -15.481 -3.655 1.00 1.00 H new ATOM 0 HG2 LYS A 63 58.121 -16.057 -5.400 1.00 1.00 H new ATOM 0 HG3 LYS A 63 56.506 -16.162 -6.072 1.00 1.00 H new ATOM 0 HD2 LYS A 63 56.723 -13.908 -7.068 1.00 1.00 H new ATOM 0 HD3 LYS A 63 58.280 -13.681 -6.296 1.00 1.00 H new ATOM 0 HE2 LYS A 63 58.710 -14.374 -8.591 1.00 1.00 H new ATOM 0 HE3 LYS A 63 59.143 -15.719 -7.555 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 57.718 -16.277 -9.537 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 57.122 -16.828 -8.045 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 56.442 -15.455 -8.776 1.00 1.00 H new ATOM 808 N GLU A 64 54.688 -13.062 -2.656 1.00 1.00 N ATOM 809 CA GLU A 64 53.887 -12.965 -1.424 1.00 1.00 C ATOM 810 C GLU A 64 52.583 -12.158 -1.546 1.00 1.00 C ATOM 811 O GLU A 64 51.689 -12.345 -0.732 1.00 1.00 O ATOM 812 CB GLU A 64 54.738 -12.367 -0.317 1.00 1.00 C ATOM 813 CG GLU A 64 55.980 -13.221 -0.136 1.00 1.00 C ATOM 814 CD GLU A 64 56.793 -12.718 1.051 1.00 1.00 C ATOM 815 OE1 GLU A 64 56.330 -11.806 1.717 1.00 1.00 O ATOM 816 OE2 GLU A 64 57.868 -13.250 1.279 1.00 1.00 O ATOM 0 H GLU A 64 55.465 -12.403 -2.697 1.00 1.00 H new ATOM 0 HA GLU A 64 53.580 -13.986 -1.200 1.00 1.00 H new ATOM 0 HB2 GLU A 64 55.017 -11.344 -0.567 1.00 1.00 H new ATOM 0 HB3 GLU A 64 54.171 -12.324 0.613 1.00 1.00 H new ATOM 0 HG2 GLU A 64 55.696 -14.261 0.023 1.00 1.00 H new ATOM 0 HG3 GLU A 64 56.587 -13.191 -1.041 1.00 1.00 H new ATOM 823 N LEU A 65 52.497 -11.210 -2.484 1.00 1.00 N ATOM 824 CA LEU A 65 51.294 -10.355 -2.579 1.00 1.00 C ATOM 825 C LEU A 65 50.002 -11.127 -2.246 1.00 1.00 C ATOM 826 O LEU A 65 49.101 -10.576 -1.614 1.00 1.00 O ATOM 827 CB LEU A 65 51.186 -9.668 -3.964 1.00 1.00 C ATOM 828 CG LEU A 65 51.881 -10.487 -5.031 1.00 1.00 C ATOM 829 CD1 LEU A 65 51.330 -11.918 -5.069 1.00 1.00 C ATOM 830 CD2 LEU A 65 51.665 -9.813 -6.392 1.00 1.00 C ATOM 0 H LEU A 65 53.221 -11.012 -3.175 1.00 1.00 H new ATOM 0 HA LEU A 65 51.410 -9.575 -1.826 1.00 1.00 H new ATOM 0 HB2 LEU A 65 50.137 -9.536 -4.228 1.00 1.00 H new ATOM 0 HB3 LEU A 65 51.630 -8.674 -3.917 1.00 1.00 H new ATOM 0 HG LEU A 65 52.945 -10.540 -4.801 1.00 1.00 H new ATOM 0 HD11 LEU A 65 51.845 -12.486 -5.844 1.00 1.00 H new ATOM 0 HD12 LEU A 65 51.490 -12.395 -4.102 1.00 1.00 H new ATOM 0 HD13 LEU A 65 50.263 -11.891 -5.288 1.00 1.00 H new ATOM 0 HD21 LEU A 65 52.162 -10.394 -7.169 1.00 1.00 H new ATOM 0 HD22 LEU A 65 50.598 -9.759 -6.606 1.00 1.00 H new ATOM 0 HD23 LEU A 65 52.082 -8.806 -6.370 1.00 1.00 H new ATOM 842 N ARG A 66 49.920 -12.390 -2.652 1.00 1.00 N ATOM 843 CA ARG A 66 48.738 -13.204 -2.364 1.00 1.00 C ATOM 844 C ARG A 66 48.683 -13.537 -0.879 1.00 1.00 C ATOM 845 O ARG A 66 47.614 -13.608 -0.274 1.00 1.00 O ATOM 846 CB ARG A 66 48.769 -14.496 -3.189 1.00 1.00 C ATOM 847 CG ARG A 66 50.163 -15.130 -3.118 1.00 1.00 C ATOM 848 CD ARG A 66 50.155 -16.465 -3.863 1.00 1.00 C ATOM 849 NE ARG A 66 49.883 -16.248 -5.279 1.00 1.00 N ATOM 850 CZ ARG A 66 49.724 -17.268 -6.115 1.00 1.00 C ATOM 851 NH1 ARG A 66 49.808 -18.494 -5.675 1.00 1.00 N ATOM 852 NH2 ARG A 66 49.481 -17.043 -7.377 1.00 1.00 N ATOM 0 H ARG A 66 50.650 -12.872 -3.177 1.00 1.00 H new ATOM 0 HA ARG A 66 47.848 -12.636 -2.634 1.00 1.00 H new ATOM 0 HB2 ARG A 66 48.023 -15.196 -2.813 1.00 1.00 H new ATOM 0 HB3 ARG A 66 48.510 -14.281 -4.226 1.00 1.00 H new ATOM 0 HG2 ARG A 66 50.902 -14.460 -3.558 1.00 1.00 H new ATOM 0 HG3 ARG A 66 50.452 -15.283 -2.078 1.00 1.00 H new ATOM 0 HD2 ARG A 66 51.117 -16.963 -3.742 1.00 1.00 H new ATOM 0 HD3 ARG A 66 49.399 -17.124 -3.436 1.00 1.00 H new ATOM 0 HE ARG A 66 49.813 -15.294 -5.635 1.00 1.00 H new ATOM 0 HH11 ARG A 66 49.996 -18.670 -4.688 1.00 1.00 H new ATOM 0 HH12 ARG A 66 49.686 -19.276 -6.318 1.00 1.00 H new ATOM 0 HH21 ARG A 66 49.413 -16.085 -7.720 1.00 1.00 H new ATOM 0 HH22 ARG A 66 49.359 -17.825 -8.020 1.00 1.00 H new ATOM 866 N ARG A 67 49.861 -13.750 -0.318 1.00 1.00 N ATOM 867 CA ARG A 67 50.019 -14.094 1.075 1.00 1.00 C ATOM 868 C ARG A 67 49.442 -13.030 2.008 1.00 1.00 C ATOM 869 O ARG A 67 48.880 -13.361 3.052 1.00 1.00 O ATOM 870 CB ARG A 67 51.513 -14.250 1.354 1.00 1.00 C ATOM 871 CG ARG A 67 51.695 -14.931 2.690 1.00 1.00 C ATOM 872 CD ARG A 67 53.186 -15.031 3.025 1.00 1.00 C ATOM 873 NE ARG A 67 53.842 -15.989 2.145 1.00 1.00 N ATOM 874 CZ ARG A 67 55.147 -16.221 2.232 1.00 1.00 C ATOM 875 NH1 ARG A 67 55.868 -15.580 3.110 1.00 1.00 N ATOM 876 NH2 ARG A 67 55.709 -17.089 1.436 1.00 1.00 N ATOM 0 H ARG A 67 50.742 -13.687 -0.828 1.00 1.00 H new ATOM 0 HA ARG A 67 49.474 -15.018 1.266 1.00 1.00 H new ATOM 0 HB2 ARG A 67 51.984 -14.836 0.565 1.00 1.00 H new ATOM 0 HB3 ARG A 67 51.999 -13.274 1.359 1.00 1.00 H new ATOM 0 HG2 ARG A 67 51.175 -14.371 3.467 1.00 1.00 H new ATOM 0 HG3 ARG A 67 51.252 -15.926 2.664 1.00 1.00 H new ATOM 0 HD2 ARG A 67 53.655 -14.052 2.921 1.00 1.00 H new ATOM 0 HD3 ARG A 67 53.312 -15.336 4.064 1.00 1.00 H new ATOM 0 HE ARG A 67 53.289 -16.491 1.450 1.00 1.00 H new ATOM 0 HH11 ARG A 67 55.430 -14.900 3.731 1.00 1.00 H new ATOM 0 HH12 ARG A 67 56.870 -15.759 3.176 1.00 1.00 H new ATOM 0 HH21 ARG A 67 55.146 -17.589 0.748 1.00 1.00 H new ATOM 0 HH22 ARG A 67 56.711 -17.268 1.502 1.00 1.00 H new ATOM 890 N LEU A 68 49.612 -11.760 1.657 1.00 1.00 N ATOM 891 CA LEU A 68 49.124 -10.681 2.522 1.00 1.00 C ATOM 892 C LEU A 68 47.614 -10.770 2.692 1.00 1.00 C ATOM 893 O LEU A 68 47.089 -10.604 3.786 1.00 1.00 O ATOM 894 CB LEU A 68 49.499 -9.288 1.937 1.00 1.00 C ATOM 895 CG LEU A 68 49.609 -8.215 3.059 1.00 1.00 C ATOM 896 CD1 LEU A 68 48.276 -8.092 3.812 1.00 1.00 C ATOM 897 CD2 LEU A 68 50.740 -8.594 4.053 1.00 1.00 C ATOM 0 H LEU A 68 50.073 -11.452 0.801 1.00 1.00 H new ATOM 0 HA LEU A 68 49.601 -10.796 3.495 1.00 1.00 H new ATOM 0 HB2 LEU A 68 50.447 -9.358 1.404 1.00 1.00 H new ATOM 0 HB3 LEU A 68 48.747 -8.982 1.210 1.00 1.00 H new ATOM 0 HG LEU A 68 49.845 -7.256 2.599 1.00 1.00 H new ATOM 0 HD11 LEU A 68 48.368 -7.338 4.594 1.00 1.00 H new ATOM 0 HD12 LEU A 68 47.490 -7.799 3.116 1.00 1.00 H new ATOM 0 HD13 LEU A 68 48.022 -9.052 4.262 1.00 1.00 H new ATOM 0 HD21 LEU A 68 50.808 -7.836 4.833 1.00 1.00 H new ATOM 0 HD22 LEU A 68 50.519 -9.561 4.505 1.00 1.00 H new ATOM 0 HD23 LEU A 68 51.689 -8.651 3.520 1.00 1.00 H new ATOM 909 N PHE A 69 46.917 -11.017 1.602 1.00 1.00 N ATOM 910 CA PHE A 69 45.466 -11.091 1.647 1.00 1.00 C ATOM 911 C PHE A 69 45.003 -12.222 2.561 1.00 1.00 C ATOM 912 O PHE A 69 44.016 -12.075 3.281 1.00 1.00 O ATOM 913 CB PHE A 69 44.919 -11.287 0.233 1.00 1.00 C ATOM 914 CG PHE A 69 45.532 -10.283 -0.752 1.00 1.00 C ATOM 915 CD1 PHE A 69 46.208 -9.112 -0.321 1.00 1.00 C ATOM 916 CD2 PHE A 69 45.415 -10.538 -2.126 1.00 1.00 C ATOM 917 CE1 PHE A 69 46.753 -8.228 -1.259 1.00 1.00 C ATOM 918 CE2 PHE A 69 45.962 -9.650 -3.063 1.00 1.00 C ATOM 919 CZ PHE A 69 46.632 -8.495 -2.631 1.00 1.00 C ATOM 0 H PHE A 69 47.325 -11.169 0.680 1.00 1.00 H new ATOM 0 HA PHE A 69 45.081 -10.156 2.055 1.00 1.00 H new ATOM 0 HB2 PHE A 69 45.130 -12.302 -0.102 1.00 1.00 H new ATOM 0 HB3 PHE A 69 43.835 -11.173 0.242 1.00 1.00 H new ATOM 0 HD1 PHE A 69 46.302 -8.902 0.734 1.00 1.00 H new ATOM 0 HD2 PHE A 69 44.900 -11.425 -2.465 1.00 1.00 H new ATOM 0 HE1 PHE A 69 47.268 -7.339 -0.926 1.00 1.00 H new ATOM 0 HE2 PHE A 69 45.868 -9.855 -4.119 1.00 1.00 H new ATOM 0 HZ PHE A 69 47.054 -7.812 -3.354 1.00 1.00 H new ATOM 929 N LEU A 70 45.710 -13.346 2.537 1.00 1.00 N ATOM 930 CA LEU A 70 45.335 -14.471 3.384 1.00 1.00 C ATOM 931 C LEU A 70 45.451 -14.099 4.865 1.00 1.00 C ATOM 932 O LEU A 70 44.573 -14.428 5.663 1.00 1.00 O ATOM 933 CB LEU A 70 46.230 -15.690 3.081 1.00 1.00 C ATOM 934 CG LEU A 70 45.850 -16.871 4.003 1.00 1.00 C ATOM 935 CD1 LEU A 70 44.373 -17.261 3.785 1.00 1.00 C ATOM 936 CD2 LEU A 70 46.743 -18.080 3.698 1.00 1.00 C ATOM 0 H LEU A 70 46.531 -13.502 1.952 1.00 1.00 H new ATOM 0 HA LEU A 70 44.297 -14.726 3.169 1.00 1.00 H new ATOM 0 HB2 LEU A 70 46.118 -15.983 2.037 1.00 1.00 H new ATOM 0 HB3 LEU A 70 47.278 -15.427 3.227 1.00 1.00 H new ATOM 0 HG LEU A 70 45.993 -16.565 5.039 1.00 1.00 H new ATOM 0 HD11 LEU A 70 44.116 -18.094 4.440 1.00 1.00 H new ATOM 0 HD12 LEU A 70 43.734 -16.408 4.015 1.00 1.00 H new ATOM 0 HD13 LEU A 70 44.224 -17.556 2.746 1.00 1.00 H new ATOM 0 HD21 LEU A 70 46.470 -18.908 4.352 1.00 1.00 H new ATOM 0 HD22 LEU A 70 46.609 -18.378 2.658 1.00 1.00 H new ATOM 0 HD23 LEU A 70 47.786 -17.814 3.867 1.00 1.00 H new ATOM 948 N VAL A 71 46.545 -13.425 5.230 1.00 1.00 N ATOM 949 CA VAL A 71 46.774 -13.027 6.629 1.00 1.00 C ATOM 950 C VAL A 71 46.215 -11.630 6.923 1.00 1.00 C ATOM 951 O VAL A 71 46.019 -11.263 8.082 1.00 1.00 O ATOM 952 CB VAL A 71 48.278 -13.094 6.976 1.00 1.00 C ATOM 953 CG1 VAL A 71 49.104 -12.072 6.169 1.00 1.00 C ATOM 954 CG2 VAL A 71 48.458 -12.816 8.471 1.00 1.00 C ATOM 0 H VAL A 71 47.283 -13.143 4.585 1.00 1.00 H new ATOM 0 HA VAL A 71 46.237 -13.734 7.261 1.00 1.00 H new ATOM 0 HB VAL A 71 48.638 -14.091 6.720 1.00 1.00 H new ATOM 0 HG11 VAL A 71 50.155 -12.155 6.445 1.00 1.00 H new ATOM 0 HG12 VAL A 71 48.992 -12.274 5.104 1.00 1.00 H new ATOM 0 HG13 VAL A 71 48.750 -11.065 6.387 1.00 1.00 H new ATOM 0 HG21 VAL A 71 49.517 -12.861 8.725 1.00 1.00 H new ATOM 0 HG22 VAL A 71 48.071 -11.825 8.706 1.00 1.00 H new ATOM 0 HG23 VAL A 71 47.914 -13.564 9.048 1.00 1.00 H new ATOM 964 N ASP A 72 45.952 -10.857 5.873 1.00 1.00 N ATOM 965 CA ASP A 72 45.411 -9.504 6.036 1.00 1.00 C ATOM 966 C ASP A 72 46.051 -8.777 7.224 1.00 1.00 C ATOM 967 O ASP A 72 45.407 -8.556 8.250 1.00 1.00 O ATOM 968 CB ASP A 72 43.896 -9.580 6.237 1.00 1.00 C ATOM 969 CG ASP A 72 43.292 -8.181 6.239 1.00 1.00 C ATOM 970 OD1 ASP A 72 44.052 -7.228 6.223 1.00 1.00 O ATOM 971 OD2 ASP A 72 42.076 -8.083 6.257 1.00 1.00 O ATOM 0 H ASP A 72 46.102 -11.139 4.904 1.00 1.00 H new ATOM 0 HA ASP A 72 45.642 -8.939 5.133 1.00 1.00 H new ATOM 0 HB2 ASP A 72 43.446 -10.176 5.443 1.00 1.00 H new ATOM 0 HB3 ASP A 72 43.672 -10.082 7.178 1.00 1.00 H new ATOM 976 N ASP A 73 47.326 -8.404 7.076 1.00 1.00 N ATOM 977 CA ASP A 73 48.067 -7.694 8.131 1.00 1.00 C ATOM 978 C ASP A 73 48.528 -6.325 7.633 1.00 1.00 C ATOM 979 O ASP A 73 49.491 -5.759 8.151 1.00 1.00 O ATOM 980 CB ASP A 73 49.287 -8.516 8.570 1.00 1.00 C ATOM 981 CG ASP A 73 50.276 -8.662 7.417 1.00 1.00 C ATOM 982 OD1 ASP A 73 50.544 -7.672 6.757 1.00 1.00 O ATOM 983 OD2 ASP A 73 50.755 -9.763 7.209 1.00 1.00 O ATOM 0 H ASP A 73 47.871 -8.582 6.233 1.00 1.00 H new ATOM 0 HA ASP A 73 47.400 -7.557 8.982 1.00 1.00 H new ATOM 0 HB2 ASP A 73 49.774 -8.031 9.416 1.00 1.00 H new ATOM 0 HB3 ASP A 73 48.966 -9.501 8.909 1.00 1.00 H new ATOM 988 N LEU A 74 47.843 -5.805 6.618 1.00 1.00 N ATOM 989 CA LEU A 74 48.203 -4.510 6.049 1.00 1.00 C ATOM 990 C LEU A 74 48.174 -3.417 7.117 1.00 1.00 C ATOM 991 O LEU A 74 48.893 -2.424 7.016 1.00 1.00 O ATOM 992 CB LEU A 74 47.250 -4.167 4.882 1.00 1.00 C ATOM 993 CG LEU A 74 45.903 -3.587 5.397 1.00 1.00 C ATOM 994 CD1 LEU A 74 45.940 -2.046 5.380 1.00 1.00 C ATOM 995 CD2 LEU A 74 44.752 -4.063 4.495 1.00 1.00 C ATOM 0 H LEU A 74 47.042 -6.256 6.176 1.00 1.00 H new ATOM 0 HA LEU A 74 49.221 -4.568 5.664 1.00 1.00 H new ATOM 0 HB2 LEU A 74 47.729 -3.445 4.220 1.00 1.00 H new ATOM 0 HB3 LEU A 74 47.059 -5.063 4.291 1.00 1.00 H new ATOM 0 HG LEU A 74 45.747 -3.935 6.418 1.00 1.00 H new ATOM 0 HD11 LEU A 74 44.990 -1.655 5.743 1.00 1.00 H new ATOM 0 HD12 LEU A 74 46.747 -1.694 6.023 1.00 1.00 H new ATOM 0 HD13 LEU A 74 46.110 -1.697 4.361 1.00 1.00 H new ATOM 0 HD21 LEU A 74 43.810 -3.654 4.860 1.00 1.00 H new ATOM 0 HD22 LEU A 74 44.924 -3.721 3.474 1.00 1.00 H new ATOM 0 HD23 LEU A 74 44.704 -5.152 4.510 1.00 1.00 H new ATOM 1007 N VAL A 75 47.347 -3.605 8.139 1.00 1.00 N ATOM 1008 CA VAL A 75 47.255 -2.621 9.213 1.00 1.00 C ATOM 1009 C VAL A 75 48.565 -2.549 9.990 1.00 1.00 C ATOM 1010 O VAL A 75 49.064 -1.462 10.287 1.00 1.00 O ATOM 1011 CB VAL A 75 46.106 -2.986 10.158 1.00 1.00 C ATOM 1012 CG1 VAL A 75 46.108 -2.049 11.368 1.00 1.00 C ATOM 1013 CG2 VAL A 75 44.774 -2.852 9.415 1.00 1.00 C ATOM 0 H VAL A 75 46.739 -4.417 8.247 1.00 1.00 H new ATOM 0 HA VAL A 75 47.061 -1.643 8.772 1.00 1.00 H new ATOM 0 HB VAL A 75 46.236 -4.013 10.499 1.00 1.00 H new ATOM 0 HG11 VAL A 75 45.288 -2.315 12.035 1.00 1.00 H new ATOM 0 HG12 VAL A 75 47.054 -2.144 11.900 1.00 1.00 H new ATOM 0 HG13 VAL A 75 45.983 -1.020 11.031 1.00 1.00 H new ATOM 0 HG21 VAL A 75 43.955 -3.111 10.086 1.00 1.00 H new ATOM 0 HG22 VAL A 75 44.650 -1.825 9.072 1.00 1.00 H new ATOM 0 HG23 VAL A 75 44.767 -3.524 8.557 1.00 1.00 H new ATOM 1023 N ASP A 76 49.115 -3.712 10.320 1.00 1.00 N ATOM 1024 CA ASP A 76 50.365 -3.771 11.069 1.00 1.00 C ATOM 1025 C ASP A 76 51.556 -3.588 10.138 1.00 1.00 C ATOM 1026 O ASP A 76 52.685 -3.391 10.590 1.00 1.00 O ATOM 1027 CB ASP A 76 50.471 -5.120 11.778 1.00 1.00 C ATOM 1028 CG ASP A 76 51.640 -5.115 12.757 1.00 1.00 C ATOM 1029 OD1 ASP A 76 52.334 -4.114 12.816 1.00 1.00 O ATOM 1030 OD2 ASP A 76 51.826 -6.116 13.429 1.00 1.00 O ATOM 0 H ASP A 76 48.718 -4.621 10.083 1.00 1.00 H new ATOM 0 HA ASP A 76 50.371 -2.967 11.805 1.00 1.00 H new ATOM 0 HB2 ASP A 76 49.544 -5.332 12.310 1.00 1.00 H new ATOM 0 HB3 ASP A 76 50.606 -5.914 11.044 1.00 1.00 H new ATOM 1035 N SER A 77 51.298 -3.641 8.839 1.00 1.00 N ATOM 1036 CA SER A 77 52.358 -3.468 7.860 1.00 1.00 C ATOM 1037 C SER A 77 52.745 -2.002 7.768 1.00 1.00 C ATOM 1038 O SER A 77 53.351 -1.570 6.788 1.00 1.00 O ATOM 1039 CB SER A 77 51.904 -3.964 6.491 1.00 1.00 C ATOM 1040 OG SER A 77 51.359 -5.272 6.623 1.00 1.00 O ATOM 0 H SER A 77 50.372 -3.801 8.442 1.00 1.00 H new ATOM 0 HA SER A 77 53.222 -4.051 8.178 1.00 1.00 H new ATOM 0 HB2 SER A 77 51.158 -3.287 6.075 1.00 1.00 H new ATOM 0 HB3 SER A 77 52.745 -3.976 5.798 1.00 1.00 H new ATOM 0 HG SER A 77 50.534 -5.231 7.150 1.00 1.00 H new ATOM 1046 N LEU A 78 52.379 -1.244 8.801 1.00 1.00 N ATOM 1047 CA LEU A 78 52.676 0.174 8.859 1.00 1.00 C ATOM 1048 C LEU A 78 52.047 0.896 7.678 1.00 1.00 C ATOM 1049 O LEU A 78 52.738 1.513 6.868 1.00 1.00 O ATOM 1050 CB LEU A 78 54.193 0.382 8.871 1.00 1.00 C ATOM 1051 CG LEU A 78 54.811 -0.191 10.187 1.00 1.00 C ATOM 1052 CD1 LEU A 78 55.739 -1.373 9.871 1.00 1.00 C ATOM 1053 CD2 LEU A 78 55.632 0.894 10.900 1.00 1.00 C ATOM 0 H LEU A 78 51.872 -1.599 9.612 1.00 1.00 H new ATOM 0 HA LEU A 78 52.255 0.590 9.774 1.00 1.00 H new ATOM 0 HB2 LEU A 78 54.641 -0.110 8.007 1.00 1.00 H new ATOM 0 HB3 LEU A 78 54.421 1.444 8.787 1.00 1.00 H new ATOM 0 HG LEU A 78 53.995 -0.524 10.828 1.00 1.00 H new ATOM 0 HD11 LEU A 78 56.162 -1.761 10.798 1.00 1.00 H new ATOM 0 HD12 LEU A 78 55.171 -2.159 9.374 1.00 1.00 H new ATOM 0 HD13 LEU A 78 56.544 -1.039 9.217 1.00 1.00 H new ATOM 0 HD21 LEU A 78 56.058 0.485 11.816 1.00 1.00 H new ATOM 0 HD22 LEU A 78 56.435 1.232 10.245 1.00 1.00 H new ATOM 0 HD23 LEU A 78 54.986 1.737 11.146 1.00 1.00 H new ATOM 1065 N LYS A 79 50.723 0.809 7.595 1.00 1.00 N ATOM 1066 CA LYS A 79 49.981 1.457 6.517 1.00 1.00 C ATOM 1067 C LYS A 79 50.539 2.853 6.241 1.00 1.00 C ATOM 1068 O LYS A 79 50.121 3.778 6.915 1.00 1.00 O ATOM 1069 CB LYS A 79 48.498 1.558 6.892 1.00 1.00 C ATOM 1070 CG LYS A 79 47.717 2.133 5.718 1.00 1.00 C ATOM 1071 CD LYS A 79 46.232 2.183 6.072 1.00 1.00 C ATOM 1072 CE LYS A 79 45.438 2.747 4.891 1.00 1.00 C ATOM 1073 NZ LYS A 79 43.986 2.732 5.222 1.00 1.00 N ATOM 1074 OXT LYS A 79 51.377 2.971 5.362 1.00 1.00 O ATOM 0 H LYS A 79 50.142 0.297 8.259 1.00 1.00 H new ATOM 0 HA LYS A 79 50.087 0.855 5.615 1.00 1.00 H new ATOM 0 HB2 LYS A 79 48.110 0.574 7.154 1.00 1.00 H new ATOM 0 HB3 LYS A 79 48.376 2.193 7.770 1.00 1.00 H new ATOM 0 HG2 LYS A 79 48.079 3.133 5.481 1.00 1.00 H new ATOM 0 HG3 LYS A 79 47.870 1.520 4.830 1.00 1.00 H new ATOM 0 HD2 LYS A 79 45.874 1.184 6.319 1.00 1.00 H new ATOM 0 HD3 LYS A 79 46.080 2.804 6.955 1.00 1.00 H new ATOM 0 HE2 LYS A 79 45.762 3.764 4.673 1.00 1.00 H new ATOM 0 HE3 LYS A 79 45.625 2.154 3.996 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 43.443 3.115 4.421 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 43.683 1.755 5.410 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 43.816 3.316 6.066 1.00 1.00 H new