USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 600 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 45 SER OG : rot 77:sc= 1.26 USER MOD Set 1.2: A 52 GLN : amide:sc= -1.36! K(o=-0.097!,f=-1.3) USER MOD Set 2.1: A 23 LYS NZ :NH3+ 153:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 26 GLN : amide:sc= 1.04 K(o=2.3,f=-5.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.26 (180deg=0.484) USER MOD Single : A 5 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.73) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -150:sc= 1.32 (180deg=1.01) USER MOD Single : A 11 SER OG : rot 70:sc= 0.305 USER MOD Single : A 13 LYS NZ :NH3+ -171:sc=-0.00374 (180deg=-0.103) USER MOD Single : A 15 SER OG : rot -161:sc= 1.24 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 21 THR OG1 : rot -41:sc= 0.862 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 CYS SG : rot 3:sc= 1.11 USER MOD Single : A 41 THR OG1 : rot -101:sc= 1.18 USER MOD Single : A 49 LYS NZ :NH3+ -168:sc= -0.0121 (180deg=-0.167) USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= -0.0625 (180deg=-0.285) USER MOD Single : A 54 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.8!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : A 60 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.06) USER MOD Single : A 61 THR OG1 : rot -66:sc= 1.21 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 120:sc=-0.00201 USER MOD Single : A 69 LYS NZ :NH3+ 170:sc=-0.00207 (180deg=-0.126) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.004 24.303 -34.948 1.00 0.00 N ATOM 2 CA MET A 1 22.432 24.122 -33.594 1.00 0.00 C ATOM 3 C MET A 1 21.507 22.913 -33.566 1.00 0.00 C ATOM 4 O MET A 1 21.840 21.891 -32.964 1.00 0.00 O ATOM 5 CB MET A 1 21.660 25.370 -33.142 1.00 0.00 C ATOM 6 CG MET A 1 22.513 26.623 -33.004 1.00 0.00 C ATOM 7 SD MET A 1 23.072 27.271 -34.593 1.00 0.00 S ATOM 8 CE MET A 1 24.002 28.705 -34.061 1.00 0.00 C ATOM 0 H1 MET A 1 23.204 25.311 -35.109 1.00 0.00 H new ATOM 0 H2 MET A 1 23.886 23.758 -35.028 1.00 0.00 H new ATOM 0 H3 MET A 1 22.324 23.967 -35.660 1.00 0.00 H new ATOM 0 HA MET A 1 23.261 23.961 -32.905 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.861 25.566 -33.857 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.186 25.161 -32.183 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.940 27.391 -32.485 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.381 26.399 -32.383 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.413 29.215 -34.932 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.344 29.385 -33.519 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.815 28.389 -33.408 1.00 0.00 H new ATOM 20 N VAL A 2 20.364 23.027 -34.251 1.00 0.00 N ATOM 21 CA VAL A 2 19.327 21.993 -34.236 1.00 0.00 C ATOM 22 C VAL A 2 18.687 21.916 -32.852 1.00 0.00 C ATOM 23 O VAL A 2 19.294 21.409 -31.905 1.00 0.00 O ATOM 24 CB VAL A 2 19.866 20.601 -34.648 1.00 0.00 C ATOM 25 CG1 VAL A 2 18.750 19.566 -34.643 1.00 0.00 C ATOM 26 CG2 VAL A 2 20.531 20.660 -36.017 1.00 0.00 C ATOM 0 H VAL A 2 20.134 23.835 -34.829 1.00 0.00 H new ATOM 0 HA VAL A 2 18.579 22.279 -34.976 1.00 0.00 H new ATOM 0 HB VAL A 2 20.616 20.301 -33.916 1.00 0.00 H new ATOM 0 HG11 VAL A 2 19.152 18.596 -34.936 1.00 0.00 H new ATOM 0 HG12 VAL A 2 18.324 19.495 -33.642 1.00 0.00 H new ATOM 0 HG13 VAL A 2 17.974 19.864 -35.348 1.00 0.00 H new ATOM 0 HG21 VAL A 2 20.902 19.670 -36.284 1.00 0.00 H new ATOM 0 HG22 VAL A 2 19.805 20.989 -36.760 1.00 0.00 H new ATOM 0 HG23 VAL A 2 21.363 21.363 -35.987 1.00 0.00 H new ATOM 36 N LEU A 3 17.463 22.434 -32.750 1.00 0.00 N ATOM 37 CA LEU A 3 16.772 22.571 -31.469 1.00 0.00 C ATOM 38 C LEU A 3 17.548 23.530 -30.571 1.00 0.00 C ATOM 39 O LEU A 3 18.131 23.130 -29.561 1.00 0.00 O ATOM 40 CB LEU A 3 16.589 21.211 -30.780 1.00 0.00 C ATOM 41 CG LEU A 3 15.682 20.218 -31.515 1.00 0.00 C ATOM 42 CD1 LEU A 3 15.625 18.896 -30.764 1.00 0.00 C ATOM 43 CD2 LEU A 3 14.284 20.794 -31.683 1.00 0.00 C ATOM 0 H LEU A 3 16.925 22.769 -33.549 1.00 0.00 H new ATOM 0 HA LEU A 3 15.777 22.976 -31.655 1.00 0.00 H new ATOM 0 HB2 LEU A 3 17.570 20.754 -30.650 1.00 0.00 H new ATOM 0 HB3 LEU A 3 16.182 21.380 -29.783 1.00 0.00 H new ATOM 0 HG LEU A 3 16.100 20.037 -32.505 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.977 18.201 -31.299 1.00 0.00 H new ATOM 0 HD12 LEU A 3 16.628 18.475 -30.692 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.229 19.063 -29.762 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.655 20.075 -32.207 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.857 21.004 -30.702 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.338 21.717 -32.260 1.00 0.00 H new ATOM 55 N ARG A 4 17.542 24.800 -30.959 1.00 0.00 N ATOM 56 CA ARG A 4 18.328 25.833 -30.293 1.00 0.00 C ATOM 57 C ARG A 4 17.948 25.961 -28.825 1.00 0.00 C ATOM 58 O ARG A 4 16.763 25.986 -28.486 1.00 0.00 O ATOM 59 CB ARG A 4 18.129 27.188 -30.978 1.00 0.00 C ATOM 60 CG ARG A 4 18.398 27.173 -32.473 1.00 0.00 C ATOM 61 CD ARG A 4 18.275 28.567 -33.068 1.00 0.00 C ATOM 62 NE ARG A 4 16.984 29.186 -32.762 1.00 0.00 N ATOM 63 CZ ARG A 4 16.694 30.465 -33.000 1.00 0.00 C ATOM 64 NH1 ARG A 4 17.597 31.262 -33.563 1.00 0.00 N ATOM 65 NH2 ARG A 4 15.501 30.946 -32.671 1.00 0.00 N ATOM 0 H ARG A 4 16.991 25.144 -31.746 1.00 0.00 H new ATOM 0 HA ARG A 4 19.374 25.536 -30.362 1.00 0.00 H new ATOM 0 HB2 ARG A 4 17.106 27.522 -30.807 1.00 0.00 H new ATOM 0 HB3 ARG A 4 18.786 27.920 -30.509 1.00 0.00 H new ATOM 0 HG2 ARG A 4 19.398 26.781 -32.661 1.00 0.00 H new ATOM 0 HG3 ARG A 4 17.694 26.501 -32.965 1.00 0.00 H new ATOM 0 HD2 ARG A 4 19.078 29.196 -32.684 1.00 0.00 H new ATOM 0 HD3 ARG A 4 18.402 28.511 -34.149 1.00 0.00 H new ATOM 0 HE ARG A 4 16.262 28.602 -32.340 1.00 0.00 H new ATOM 0 HH11 ARG A 4 18.515 30.895 -33.814 1.00 0.00 H new ATOM 0 HH12 ARG A 4 17.372 32.240 -33.744 1.00 0.00 H new ATOM 0 HH21 ARG A 4 14.808 30.337 -32.237 1.00 0.00 H new ATOM 0 HH22 ARG A 4 15.278 31.925 -32.853 1.00 0.00 H new ATOM 79 N GLN A 5 18.967 26.040 -27.973 1.00 0.00 N ATOM 80 CA GLN A 5 18.794 26.245 -26.536 1.00 0.00 C ATOM 81 C GLN A 5 17.956 25.142 -25.899 1.00 0.00 C ATOM 82 O GLN A 5 16.724 25.180 -25.928 1.00 0.00 O ATOM 83 CB GLN A 5 18.164 27.613 -26.259 1.00 0.00 C ATOM 84 CG GLN A 5 19.033 28.775 -26.702 1.00 0.00 C ATOM 85 CD GLN A 5 20.385 28.781 -26.015 1.00 0.00 C ATOM 86 OE1 GLN A 5 20.519 28.343 -24.870 1.00 0.00 O ATOM 87 NE2 GLN A 5 21.399 29.262 -26.713 1.00 0.00 N ATOM 0 H GLN A 5 19.942 25.963 -28.261 1.00 0.00 H new ATOM 0 HA GLN A 5 19.785 26.210 -26.084 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.203 27.672 -26.769 1.00 0.00 H new ATOM 0 HB3 GLN A 5 17.965 27.704 -25.191 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.177 28.726 -27.781 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.517 29.712 -26.491 1.00 0.00 H new ATOM 0 HE21 GLN A 5 21.246 29.615 -27.658 1.00 0.00 H new ATOM 0 HE22 GLN A 5 22.335 29.280 -26.307 1.00 0.00 H new ATOM 96 N LEU A 6 18.622 24.164 -25.313 1.00 0.00 N ATOM 97 CA LEU A 6 17.933 23.082 -24.630 1.00 0.00 C ATOM 98 C LEU A 6 17.598 23.484 -23.198 1.00 0.00 C ATOM 99 O LEU A 6 18.160 22.954 -22.243 1.00 0.00 O ATOM 100 CB LEU A 6 18.781 21.808 -24.640 1.00 0.00 C ATOM 101 CG LEU A 6 19.052 21.217 -26.024 1.00 0.00 C ATOM 102 CD1 LEU A 6 19.932 19.987 -25.904 1.00 0.00 C ATOM 103 CD2 LEU A 6 17.749 20.870 -26.730 1.00 0.00 C ATOM 0 H LEU A 6 19.640 24.096 -25.296 1.00 0.00 H new ATOM 0 HA LEU A 6 17.003 22.880 -25.162 1.00 0.00 H new ATOM 0 HB2 LEU A 6 19.736 22.023 -24.161 1.00 0.00 H new ATOM 0 HB3 LEU A 6 18.282 21.054 -24.032 1.00 0.00 H new ATOM 0 HG LEU A 6 19.572 21.966 -26.621 1.00 0.00 H new ATOM 0 HD11 LEU A 6 20.118 19.575 -26.896 1.00 0.00 H new ATOM 0 HD12 LEU A 6 20.880 20.262 -25.441 1.00 0.00 H new ATOM 0 HD13 LEU A 6 19.431 19.240 -25.289 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.968 20.451 -27.712 1.00 0.00 H new ATOM 0 HD22 LEU A 6 17.198 20.139 -26.138 1.00 0.00 H new ATOM 0 HD23 LEU A 6 17.147 21.771 -26.846 1.00 0.00 H new ATOM 115 N SER A 7 16.697 24.445 -23.059 1.00 0.00 N ATOM 116 CA SER A 7 16.226 24.868 -21.753 1.00 0.00 C ATOM 117 C SER A 7 14.931 24.139 -21.401 1.00 0.00 C ATOM 118 O SER A 7 14.937 23.177 -20.631 1.00 0.00 O ATOM 119 CB SER A 7 16.012 26.382 -21.737 1.00 0.00 C ATOM 120 OG SER A 7 17.165 27.061 -22.204 1.00 0.00 O ATOM 0 H SER A 7 16.277 24.948 -23.841 1.00 0.00 H new ATOM 0 HA SER A 7 16.979 24.617 -21.006 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.156 26.639 -22.361 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.778 26.709 -20.724 1.00 0.00 H new ATOM 0 HG SER A 7 17.005 28.028 -22.187 1.00 0.00 H new ATOM 126 N ARG A 8 13.825 24.562 -22.009 1.00 0.00 N ATOM 127 CA ARG A 8 12.532 23.945 -21.740 1.00 0.00 C ATOM 128 C ARG A 8 12.429 22.605 -22.457 1.00 0.00 C ATOM 129 O ARG A 8 11.719 21.706 -22.013 1.00 0.00 O ATOM 130 CB ARG A 8 11.376 24.871 -22.144 1.00 0.00 C ATOM 131 CG ARG A 8 11.345 25.248 -23.618 1.00 0.00 C ATOM 132 CD ARG A 8 10.182 26.178 -23.920 1.00 0.00 C ATOM 133 NE ARG A 8 10.116 26.556 -25.333 1.00 0.00 N ATOM 134 CZ ARG A 8 9.252 27.446 -25.827 1.00 0.00 C ATOM 135 NH1 ARG A 8 8.402 28.074 -25.021 1.00 0.00 N ATOM 136 NH2 ARG A 8 9.247 27.718 -27.126 1.00 0.00 N ATOM 0 H ARG A 8 13.799 25.324 -22.686 1.00 0.00 H new ATOM 0 HA ARG A 8 12.454 23.773 -20.666 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.434 24.386 -21.888 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.436 25.784 -21.551 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.282 25.732 -23.893 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.261 24.347 -24.225 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.249 25.692 -23.634 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.273 27.077 -23.311 1.00 0.00 H new ATOM 0 HE ARG A 8 10.769 26.113 -25.979 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.408 27.877 -24.020 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.744 28.753 -25.403 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.904 27.247 -27.748 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.586 28.398 -27.502 1.00 0.00 H new ATOM 150 N LYS A 9 13.171 22.469 -23.552 1.00 0.00 N ATOM 151 CA LYS A 9 13.228 21.212 -24.287 1.00 0.00 C ATOM 152 C LYS A 9 14.063 20.176 -23.532 1.00 0.00 C ATOM 153 O LYS A 9 14.153 19.022 -23.941 1.00 0.00 O ATOM 154 CB LYS A 9 13.799 21.437 -25.690 1.00 0.00 C ATOM 155 CG LYS A 9 12.919 22.316 -26.570 1.00 0.00 C ATOM 156 CD LYS A 9 13.428 22.366 -28.004 1.00 0.00 C ATOM 157 CE LYS A 9 14.733 23.138 -28.128 1.00 0.00 C ATOM 158 NZ LYS A 9 14.542 24.596 -27.915 1.00 0.00 N ATOM 0 H LYS A 9 13.741 23.215 -23.949 1.00 0.00 H new ATOM 0 HA LYS A 9 12.212 20.828 -24.381 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.785 21.894 -25.604 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.937 20.472 -26.177 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.898 21.935 -26.559 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.887 23.325 -26.160 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.573 21.350 -28.371 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.673 22.829 -28.639 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.450 22.757 -27.401 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.161 22.969 -29.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.247 25.123 -28.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.586 24.869 -28.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.659 24.818 -26.906 1.00 0.00 H new ATOM 172 N ALA A 10 14.675 20.603 -22.433 1.00 0.00 N ATOM 173 CA ALA A 10 15.426 19.697 -21.574 1.00 0.00 C ATOM 174 C ALA A 10 14.629 19.381 -20.314 1.00 0.00 C ATOM 175 O ALA A 10 14.736 18.288 -19.753 1.00 0.00 O ATOM 176 CB ALA A 10 16.777 20.291 -21.215 1.00 0.00 C ATOM 0 H ALA A 10 14.665 21.573 -22.116 1.00 0.00 H new ATOM 0 HA ALA A 10 15.598 18.769 -22.119 1.00 0.00 H new ATOM 0 HB1 ALA A 10 17.320 19.598 -20.573 1.00 0.00 H new ATOM 0 HB2 ALA A 10 17.350 20.468 -22.125 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.631 21.234 -20.689 1.00 0.00 H new ATOM 182 N SER A 11 13.830 20.350 -19.871 1.00 0.00 N ATOM 183 CA SER A 11 12.959 20.161 -18.720 1.00 0.00 C ATOM 184 C SER A 11 11.861 19.153 -19.049 1.00 0.00 C ATOM 185 O SER A 11 11.398 18.403 -18.188 1.00 0.00 O ATOM 186 CB SER A 11 12.334 21.498 -18.311 1.00 0.00 C ATOM 187 OG SER A 11 13.328 22.496 -18.130 1.00 0.00 O ATOM 0 H SER A 11 13.770 21.276 -20.295 1.00 0.00 H new ATOM 0 HA SER A 11 13.553 19.777 -17.891 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.626 21.820 -19.075 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.770 21.371 -17.387 1.00 0.00 H new ATOM 0 HG SER A 11 13.707 22.742 -19.000 1.00 0.00 H new ATOM 193 N VAL A 12 11.450 19.151 -20.307 1.00 0.00 N ATOM 194 CA VAL A 12 10.440 18.229 -20.795 1.00 0.00 C ATOM 195 C VAL A 12 11.083 17.217 -21.736 1.00 0.00 C ATOM 196 O VAL A 12 11.936 17.568 -22.549 1.00 0.00 O ATOM 197 CB VAL A 12 9.316 18.986 -21.536 1.00 0.00 C ATOM 198 CG1 VAL A 12 8.229 18.033 -22.010 1.00 0.00 C ATOM 199 CG2 VAL A 12 8.726 20.066 -20.643 1.00 0.00 C ATOM 0 H VAL A 12 11.808 19.789 -21.018 1.00 0.00 H new ATOM 0 HA VAL A 12 10.003 17.712 -19.941 1.00 0.00 H new ATOM 0 HB VAL A 12 9.752 19.459 -22.416 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.452 18.596 -22.528 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.660 17.299 -22.691 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.795 17.521 -21.152 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.935 20.590 -21.180 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.313 19.609 -19.744 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.506 20.774 -20.364 1.00 0.00 H new ATOM 209 N LYS A 13 10.683 15.960 -21.602 1.00 0.00 N ATOM 210 CA LYS A 13 11.233 14.889 -22.420 1.00 0.00 C ATOM 211 C LYS A 13 10.621 14.918 -23.815 1.00 0.00 C ATOM 212 O LYS A 13 11.327 14.793 -24.816 1.00 0.00 O ATOM 213 CB LYS A 13 10.977 13.531 -21.758 1.00 0.00 C ATOM 214 CG LYS A 13 11.504 12.345 -22.551 1.00 0.00 C ATOM 215 CD LYS A 13 13.018 12.386 -22.693 1.00 0.00 C ATOM 216 CE LYS A 13 13.529 11.240 -23.554 1.00 0.00 C ATOM 217 NZ LYS A 13 13.232 9.910 -22.958 1.00 0.00 N ATOM 0 H LYS A 13 9.977 15.657 -20.932 1.00 0.00 H new ATOM 0 HA LYS A 13 12.309 15.038 -22.509 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.438 13.528 -20.770 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.904 13.408 -21.610 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.211 11.419 -22.057 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.047 12.338 -23.540 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.317 13.336 -23.135 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.478 12.335 -21.706 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.076 11.302 -24.543 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.606 11.343 -23.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.727 9.170 -23.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.553 9.893 -21.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.207 9.735 -22.992 1.00 0.00 H new ATOM 231 N VAL A 14 9.307 15.077 -23.870 1.00 0.00 N ATOM 232 CA VAL A 14 8.597 15.144 -25.132 1.00 0.00 C ATOM 233 C VAL A 14 7.179 15.671 -24.926 1.00 0.00 C ATOM 234 O VAL A 14 6.477 15.239 -24.010 1.00 0.00 O ATOM 235 CB VAL A 14 8.554 13.763 -25.830 1.00 0.00 C ATOM 236 CG1 VAL A 14 7.976 12.700 -24.909 1.00 0.00 C ATOM 237 CG2 VAL A 14 7.759 13.841 -27.122 1.00 0.00 C ATOM 0 H VAL A 14 8.710 15.162 -23.047 1.00 0.00 H new ATOM 0 HA VAL A 14 9.140 15.834 -25.777 1.00 0.00 H new ATOM 0 HB VAL A 14 9.578 13.477 -26.071 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.958 11.741 -25.426 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.594 12.619 -24.015 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.961 12.978 -24.625 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.741 12.860 -27.598 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.739 14.157 -26.903 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.226 14.561 -27.794 1.00 0.00 H new ATOM 247 N SER A 15 6.790 16.629 -25.765 1.00 0.00 N ATOM 248 CA SER A 15 5.433 17.163 -25.780 1.00 0.00 C ATOM 249 C SER A 15 5.046 17.798 -24.442 1.00 0.00 C ATOM 250 O SER A 15 4.444 17.154 -23.580 1.00 0.00 O ATOM 251 CB SER A 15 4.440 16.058 -26.154 1.00 0.00 C ATOM 252 OG SER A 15 3.129 16.570 -26.327 1.00 0.00 O ATOM 0 H SER A 15 7.409 17.056 -26.454 1.00 0.00 H new ATOM 0 HA SER A 15 5.398 17.952 -26.531 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.765 15.572 -27.074 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.433 15.295 -25.375 1.00 0.00 H new ATOM 0 HG SER A 15 2.481 15.838 -26.265 1.00 0.00 H new ATOM 258 N LYS A 16 5.388 19.069 -24.275 1.00 0.00 N ATOM 259 CA LYS A 16 4.937 19.823 -23.113 1.00 0.00 C ATOM 260 C LYS A 16 3.476 20.202 -23.311 1.00 0.00 C ATOM 261 O LYS A 16 2.734 20.445 -22.361 1.00 0.00 O ATOM 262 CB LYS A 16 5.797 21.075 -22.913 1.00 0.00 C ATOM 263 CG LYS A 16 5.468 21.847 -21.644 1.00 0.00 C ATOM 264 CD LYS A 16 6.374 23.053 -21.475 1.00 0.00 C ATOM 265 CE LYS A 16 6.069 23.805 -20.189 1.00 0.00 C ATOM 266 NZ LYS A 16 6.979 24.966 -19.997 1.00 0.00 N ATOM 0 H LYS A 16 5.972 19.596 -24.924 1.00 0.00 H new ATOM 0 HA LYS A 16 5.037 19.208 -22.219 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.847 20.784 -22.888 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.669 21.734 -23.772 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.428 22.173 -21.675 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.570 21.190 -20.780 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.415 22.729 -21.470 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.252 23.723 -22.327 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.036 24.152 -20.208 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.162 23.127 -19.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.739 25.452 -19.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.963 24.632 -19.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.872 25.626 -20.793 1.00 0.00 H new ATOM 280 N THR A 17 3.086 20.235 -24.570 1.00 0.00 N ATOM 281 CA THR A 17 1.725 20.458 -24.969 1.00 0.00 C ATOM 282 C THR A 17 1.465 19.580 -26.183 1.00 0.00 C ATOM 283 O THR A 17 2.404 19.257 -26.917 1.00 0.00 O ATOM 284 CB THR A 17 1.494 21.946 -25.311 1.00 0.00 C ATOM 285 OG1 THR A 17 1.882 22.762 -24.194 1.00 0.00 O ATOM 286 CG2 THR A 17 0.039 22.223 -25.658 1.00 0.00 C ATOM 0 H THR A 17 3.725 20.104 -25.354 1.00 0.00 H new ATOM 0 HA THR A 17 1.040 20.206 -24.159 1.00 0.00 H new ATOM 0 HB THR A 17 2.101 22.188 -26.183 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.737 23.706 -24.412 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.084 23.280 -25.893 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.250 21.624 -26.521 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.593 21.964 -24.809 1.00 0.00 H new ATOM 294 N TRP A 18 0.223 19.173 -26.392 1.00 0.00 N ATOM 295 CA TRP A 18 -0.105 18.301 -27.515 1.00 0.00 C ATOM 296 C TRP A 18 -0.185 19.102 -28.811 1.00 0.00 C ATOM 297 O TRP A 18 -1.052 18.872 -29.656 1.00 0.00 O ATOM 298 CB TRP A 18 -1.420 17.573 -27.255 1.00 0.00 C ATOM 299 CG TRP A 18 -1.416 16.767 -25.991 1.00 0.00 C ATOM 300 CD1 TRP A 18 -2.211 16.957 -24.899 1.00 0.00 C ATOM 301 CD2 TRP A 18 -0.566 15.656 -25.680 1.00 0.00 C ATOM 302 NE1 TRP A 18 -1.917 16.026 -23.933 1.00 0.00 N ATOM 303 CE2 TRP A 18 -0.909 15.217 -24.388 1.00 0.00 C ATOM 304 CE3 TRP A 18 0.448 14.985 -26.370 1.00 0.00 C ATOM 305 CZ2 TRP A 18 -0.275 14.141 -23.774 1.00 0.00 C ATOM 306 CZ3 TRP A 18 1.077 13.919 -25.757 1.00 0.00 C ATOM 307 CH2 TRP A 18 0.713 13.506 -24.471 1.00 0.00 C ATOM 0 H TRP A 18 -0.571 19.429 -25.805 1.00 0.00 H new ATOM 0 HA TRP A 18 0.687 17.560 -27.619 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.228 18.303 -27.209 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.634 16.914 -28.096 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.962 17.727 -24.807 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.375 15.949 -23.025 1.00 0.00 H new ATOM 0 HE3 TRP A 18 0.734 15.295 -27.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.554 13.820 -22.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.864 13.395 -26.280 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.224 12.668 -24.020 1.00 0.00 H new ATOM 318 N SER A 19 0.730 20.046 -28.950 1.00 0.00 N ATOM 319 CA SER A 19 0.804 20.899 -30.122 1.00 0.00 C ATOM 320 C SER A 19 2.250 21.330 -30.346 1.00 0.00 C ATOM 321 O SER A 19 2.878 21.914 -29.459 1.00 0.00 O ATOM 322 CB SER A 19 -0.101 22.125 -29.948 1.00 0.00 C ATOM 323 OG SER A 19 -1.445 21.735 -29.698 1.00 0.00 O ATOM 0 H SER A 19 1.445 20.243 -28.250 1.00 0.00 H new ATOM 0 HA SER A 19 0.459 20.343 -30.993 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.264 22.736 -29.122 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.059 22.743 -30.845 1.00 0.00 H new ATOM 0 HG SER A 19 -2.002 22.534 -29.589 1.00 0.00 H new ATOM 329 N GLY A 20 2.779 21.021 -31.518 1.00 0.00 N ATOM 330 CA GLY A 20 4.159 21.332 -31.816 1.00 0.00 C ATOM 331 C GLY A 20 5.077 20.172 -31.497 1.00 0.00 C ATOM 332 O GLY A 20 4.912 19.087 -32.055 1.00 0.00 O ATOM 0 H GLY A 20 2.273 20.557 -32.273 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.254 21.591 -32.870 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.466 22.207 -31.244 1.00 0.00 H new ATOM 336 N THR A 21 6.028 20.411 -30.588 1.00 0.00 N ATOM 337 CA THR A 21 7.003 19.407 -30.131 1.00 0.00 C ATOM 338 C THR A 21 7.601 18.593 -31.287 1.00 0.00 C ATOM 339 O THR A 21 7.784 17.383 -31.181 1.00 0.00 O ATOM 340 CB THR A 21 6.414 18.479 -29.020 1.00 0.00 C ATOM 341 OG1 THR A 21 7.422 17.583 -28.530 1.00 0.00 O ATOM 342 CG2 THR A 21 5.213 17.668 -29.496 1.00 0.00 C ATOM 0 H THR A 21 6.146 21.320 -30.141 1.00 0.00 H new ATOM 0 HA THR A 21 7.825 19.967 -29.685 1.00 0.00 H new ATOM 0 HB THR A 21 6.072 19.138 -28.222 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.960 17.254 -29.280 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.849 17.044 -28.680 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.421 18.345 -29.816 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.510 17.035 -30.333 1.00 0.00 H new ATOM 350 N LYS A 22 7.934 19.289 -32.375 1.00 0.00 N ATOM 351 CA LYS A 22 8.508 18.675 -33.575 1.00 0.00 C ATOM 352 C LYS A 22 7.632 17.523 -34.069 1.00 0.00 C ATOM 353 O LYS A 22 8.129 16.489 -34.517 1.00 0.00 O ATOM 354 CB LYS A 22 9.945 18.193 -33.315 1.00 0.00 C ATOM 355 CG LYS A 22 10.712 17.849 -34.588 1.00 0.00 C ATOM 356 CD LYS A 22 12.098 17.302 -34.284 1.00 0.00 C ATOM 357 CE LYS A 22 12.846 16.950 -35.562 1.00 0.00 C ATOM 358 NZ LYS A 22 14.218 16.443 -35.288 1.00 0.00 N ATOM 0 H LYS A 22 7.813 20.299 -32.450 1.00 0.00 H new ATOM 0 HA LYS A 22 8.543 19.435 -34.355 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.487 18.968 -32.772 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.914 17.314 -32.671 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.150 17.114 -35.163 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.801 18.740 -35.210 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.667 18.040 -33.719 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.012 16.416 -33.655 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.285 16.196 -36.113 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.907 17.832 -36.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.690 16.216 -36.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.763 17.172 -34.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.161 15.586 -34.701 1.00 0.00 H new ATOM 372 N LYS A 23 6.319 17.711 -33.960 1.00 0.00 N ATOM 373 CA LYS A 23 5.337 16.712 -34.379 1.00 0.00 C ATOM 374 C LYS A 23 5.415 15.440 -33.533 1.00 0.00 C ATOM 375 O LYS A 23 4.795 14.428 -33.869 1.00 0.00 O ATOM 376 CB LYS A 23 5.506 16.366 -35.862 1.00 0.00 C ATOM 377 CG LYS A 23 5.020 17.453 -36.807 1.00 0.00 C ATOM 378 CD LYS A 23 3.511 17.606 -36.738 1.00 0.00 C ATOM 379 CE LYS A 23 3.002 18.609 -37.758 1.00 0.00 C ATOM 380 NZ LYS A 23 1.520 18.715 -37.741 1.00 0.00 N ATOM 0 H LYS A 23 5.905 18.561 -33.578 1.00 0.00 H new ATOM 0 HA LYS A 23 4.352 17.154 -34.227 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.559 16.169 -36.061 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.964 15.445 -36.074 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.496 18.400 -36.552 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.317 17.211 -37.827 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.039 16.639 -36.911 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.223 17.927 -35.737 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.438 19.587 -37.554 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.333 18.314 -38.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.236 19.660 -38.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.113 17.993 -38.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.172 18.566 -36.772 1.00 0.00 H new ATOM 394 N ARG A 24 6.136 15.500 -32.415 1.00 0.00 N ATOM 395 CA ARG A 24 6.307 14.335 -31.548 1.00 0.00 C ATOM 396 C ARG A 24 5.116 14.201 -30.609 1.00 0.00 C ATOM 397 O ARG A 24 5.263 14.047 -29.397 1.00 0.00 O ATOM 398 CB ARG A 24 7.610 14.437 -30.747 1.00 0.00 C ATOM 399 CG ARG A 24 8.861 14.440 -31.614 1.00 0.00 C ATOM 400 CD ARG A 24 10.103 14.797 -30.809 1.00 0.00 C ATOM 401 NE ARG A 24 10.392 13.824 -29.752 1.00 0.00 N ATOM 402 CZ ARG A 24 11.279 14.026 -28.774 1.00 0.00 C ATOM 403 NH1 ARG A 24 11.938 15.177 -28.694 1.00 0.00 N ATOM 404 NH2 ARG A 24 11.498 13.082 -27.867 1.00 0.00 N ATOM 0 H ARG A 24 6.611 16.342 -32.088 1.00 0.00 H new ATOM 0 HA ARG A 24 6.363 13.445 -32.175 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.589 15.349 -30.151 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.664 13.601 -30.049 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.991 13.458 -32.068 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.738 15.154 -32.429 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.959 14.863 -31.480 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.971 15.783 -30.363 1.00 0.00 H new ATOM 0 HE ARG A 24 9.885 12.939 -29.764 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.767 15.911 -29.381 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.614 15.326 -27.945 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.988 12.200 -27.916 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.176 13.239 -27.121 1.00 0.00 H new ATOM 418 N ALA A 25 3.933 14.283 -31.193 1.00 0.00 N ATOM 419 CA ALA A 25 2.684 14.135 -30.464 1.00 0.00 C ATOM 420 C ALA A 25 1.574 13.743 -31.425 1.00 0.00 C ATOM 421 O ALA A 25 0.940 12.697 -31.270 1.00 0.00 O ATOM 422 CB ALA A 25 2.328 15.428 -29.741 1.00 0.00 C ATOM 0 H ALA A 25 3.811 14.455 -32.191 1.00 0.00 H new ATOM 0 HA ALA A 25 2.803 13.350 -29.717 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.390 15.297 -29.201 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.120 15.681 -29.036 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.219 16.233 -30.468 1.00 0.00 H new ATOM 428 N GLN A 26 1.373 14.580 -32.437 1.00 0.00 N ATOM 429 CA GLN A 26 0.333 14.356 -33.434 1.00 0.00 C ATOM 430 C GLN A 26 0.598 13.083 -34.229 1.00 0.00 C ATOM 431 O GLN A 26 -0.326 12.344 -34.557 1.00 0.00 O ATOM 432 CB GLN A 26 0.248 15.545 -34.389 1.00 0.00 C ATOM 433 CG GLN A 26 -0.017 16.870 -33.697 1.00 0.00 C ATOM 434 CD GLN A 26 -0.134 18.018 -34.676 1.00 0.00 C ATOM 435 OE1 GLN A 26 0.857 18.663 -35.019 1.00 0.00 O ATOM 436 NE2 GLN A 26 -1.345 18.280 -35.137 1.00 0.00 N ATOM 0 H GLN A 26 1.922 15.426 -32.589 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.614 14.246 -32.906 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.181 15.618 -34.947 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.544 15.360 -35.115 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.936 16.796 -33.116 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.789 17.077 -32.993 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.140 17.721 -34.828 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.484 19.041 -35.802 1.00 0.00 H new ATOM 445 N ARG A 27 1.865 12.830 -34.535 1.00 0.00 N ATOM 446 CA ARG A 27 2.234 11.646 -35.299 1.00 0.00 C ATOM 447 C ARG A 27 2.163 10.404 -34.424 1.00 0.00 C ATOM 448 O ARG A 27 1.839 9.316 -34.898 1.00 0.00 O ATOM 449 CB ARG A 27 3.637 11.796 -35.889 1.00 0.00 C ATOM 450 CG ARG A 27 3.740 12.888 -36.939 1.00 0.00 C ATOM 451 CD ARG A 27 5.148 12.986 -37.504 1.00 0.00 C ATOM 452 NE ARG A 27 5.258 14.027 -38.524 1.00 0.00 N ATOM 453 CZ ARG A 27 6.416 14.527 -38.956 1.00 0.00 C ATOM 454 NH1 ARG A 27 7.561 14.103 -38.435 1.00 0.00 N ATOM 455 NH2 ARG A 27 6.425 15.457 -39.903 1.00 0.00 N ATOM 0 H ARG A 27 2.649 13.425 -34.268 1.00 0.00 H new ATOM 0 HA ARG A 27 1.525 11.538 -36.119 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.340 12.010 -35.084 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.939 10.847 -36.332 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.036 12.686 -37.746 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.455 13.844 -36.500 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.849 13.195 -36.696 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.434 12.026 -37.934 1.00 0.00 H new ATOM 0 HE ARG A 27 4.397 14.393 -38.930 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.556 13.393 -37.703 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.446 14.487 -38.767 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.546 15.789 -40.300 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.311 15.840 -40.234 1.00 0.00 H new ATOM 469 N ILE A 28 2.438 10.581 -33.135 1.00 0.00 N ATOM 470 CA ILE A 28 2.425 9.471 -32.194 1.00 0.00 C ATOM 471 C ILE A 28 1.012 8.916 -32.038 1.00 0.00 C ATOM 472 O ILE A 28 0.830 7.745 -31.730 1.00 0.00 O ATOM 473 CB ILE A 28 2.986 9.884 -30.816 1.00 0.00 C ATOM 474 CG1 ILE A 28 4.397 10.450 -30.983 1.00 0.00 C ATOM 475 CG2 ILE A 28 3.000 8.697 -29.857 1.00 0.00 C ATOM 476 CD1 ILE A 28 5.073 10.810 -29.680 1.00 0.00 C ATOM 0 H ILE A 28 2.672 11.483 -32.721 1.00 0.00 H new ATOM 0 HA ILE A 28 3.071 8.693 -32.600 1.00 0.00 H new ATOM 0 HB ILE A 28 2.339 10.652 -30.391 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.011 9.719 -31.509 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.349 11.338 -31.613 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.399 9.013 -28.893 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.984 8.324 -29.725 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.626 7.905 -30.267 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.069 11.204 -29.883 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.483 11.565 -29.161 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.155 9.921 -29.055 1.00 0.00 H new ATOM 488 N LEU A 29 0.015 9.758 -32.279 1.00 0.00 N ATOM 489 CA LEU A 29 -1.377 9.318 -32.250 1.00 0.00 C ATOM 490 C LEU A 29 -1.616 8.222 -33.289 1.00 0.00 C ATOM 491 O LEU A 29 -2.383 7.284 -33.059 1.00 0.00 O ATOM 492 CB LEU A 29 -2.322 10.495 -32.516 1.00 0.00 C ATOM 493 CG LEU A 29 -2.309 11.602 -31.461 1.00 0.00 C ATOM 494 CD1 LEU A 29 -3.154 12.781 -31.919 1.00 0.00 C ATOM 495 CD2 LEU A 29 -2.820 11.075 -30.129 1.00 0.00 C ATOM 0 H LEU A 29 0.142 10.746 -32.496 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.582 8.917 -31.257 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.065 10.933 -33.480 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.338 10.110 -32.601 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.281 11.939 -31.329 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.135 13.560 -31.157 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.752 13.176 -32.852 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.182 12.453 -32.076 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.804 11.876 -29.390 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.841 10.712 -30.249 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.182 10.258 -29.792 1.00 0.00 H new ATOM 507 N ILE A 30 -0.947 8.347 -34.427 1.00 0.00 N ATOM 508 CA ILE A 30 -1.058 7.364 -35.495 1.00 0.00 C ATOM 509 C ILE A 30 -0.087 6.217 -35.244 1.00 0.00 C ATOM 510 O ILE A 30 -0.439 5.045 -35.391 1.00 0.00 O ATOM 511 CB ILE A 30 -0.789 7.985 -36.893 1.00 0.00 C ATOM 512 CG1 ILE A 30 -1.927 8.926 -37.312 1.00 0.00 C ATOM 513 CG2 ILE A 30 -0.602 6.898 -37.945 1.00 0.00 C ATOM 514 CD1 ILE A 30 -1.987 10.226 -36.538 1.00 0.00 C ATOM 0 H ILE A 30 -0.319 9.123 -34.634 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.082 6.992 -35.493 1.00 0.00 H new ATOM 0 HB ILE A 30 0.131 8.566 -36.820 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.820 9.154 -38.372 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.876 8.403 -37.193 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.415 7.359 -38.915 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.246 6.270 -37.672 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.503 6.287 -38.001 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.821 10.827 -36.901 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.128 10.012 -35.478 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.056 10.775 -36.677 1.00 0.00 H new ATOM 526 N PHE A 31 1.129 6.565 -34.845 1.00 0.00 N ATOM 527 CA PHE A 31 2.135 5.571 -34.493 1.00 0.00 C ATOM 528 C PHE A 31 1.609 4.637 -33.410 1.00 0.00 C ATOM 529 O PHE A 31 1.866 3.439 -33.434 1.00 0.00 O ATOM 530 CB PHE A 31 3.415 6.258 -34.011 1.00 0.00 C ATOM 531 CG PHE A 31 4.479 5.303 -33.543 1.00 0.00 C ATOM 532 CD1 PHE A 31 4.812 5.220 -32.200 1.00 0.00 C ATOM 533 CD2 PHE A 31 5.140 4.483 -34.444 1.00 0.00 C ATOM 534 CE1 PHE A 31 5.784 4.340 -31.764 1.00 0.00 C ATOM 535 CE2 PHE A 31 6.113 3.601 -34.014 1.00 0.00 C ATOM 536 CZ PHE A 31 6.435 3.529 -32.672 1.00 0.00 C ATOM 0 H PHE A 31 1.444 7.531 -34.757 1.00 0.00 H new ATOM 0 HA PHE A 31 2.361 4.983 -35.383 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.817 6.866 -34.822 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.166 6.938 -33.196 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.305 5.851 -31.485 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.892 4.534 -35.494 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.034 4.287 -30.715 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.622 2.968 -34.726 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.195 2.840 -32.334 1.00 0.00 H new ATOM 546 N LEU A 32 0.858 5.199 -32.476 1.00 0.00 N ATOM 547 CA LEU A 32 0.308 4.434 -31.367 1.00 0.00 C ATOM 548 C LEU A 32 -0.611 3.330 -31.870 1.00 0.00 C ATOM 549 O LEU A 32 -0.482 2.182 -31.461 1.00 0.00 O ATOM 550 CB LEU A 32 -0.465 5.344 -30.408 1.00 0.00 C ATOM 551 CG LEU A 32 -0.873 4.689 -29.084 1.00 0.00 C ATOM 552 CD1 LEU A 32 0.353 4.268 -28.287 1.00 0.00 C ATOM 553 CD2 LEU A 32 -1.735 5.637 -28.267 1.00 0.00 C ATOM 0 H LEU A 32 0.614 6.189 -32.464 1.00 0.00 H new ATOM 0 HA LEU A 32 1.144 3.982 -30.833 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.146 6.220 -30.190 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.363 5.699 -30.913 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.455 3.796 -29.312 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.038 3.806 -27.352 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.936 3.552 -28.867 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.965 5.144 -28.071 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.016 5.157 -27.330 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.174 6.547 -28.054 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.634 5.888 -28.830 1.00 0.00 H new ATOM 565 N LEU A 33 -1.517 3.673 -32.781 1.00 0.00 N ATOM 566 CA LEU A 33 -2.525 2.724 -33.239 1.00 0.00 C ATOM 567 C LEU A 33 -1.876 1.554 -33.975 1.00 0.00 C ATOM 568 O LEU A 33 -2.273 0.405 -33.804 1.00 0.00 O ATOM 569 CB LEU A 33 -3.583 3.426 -34.113 1.00 0.00 C ATOM 570 CG LEU A 33 -3.151 3.849 -35.524 1.00 0.00 C ATOM 571 CD1 LEU A 33 -3.388 2.734 -36.533 1.00 0.00 C ATOM 572 CD2 LEU A 33 -3.893 5.105 -35.946 1.00 0.00 C ATOM 0 H LEU A 33 -1.574 4.595 -33.214 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.036 2.320 -32.365 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.441 2.760 -34.207 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.925 4.315 -33.583 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.082 4.058 -35.499 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.072 3.065 -37.522 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.814 1.854 -36.244 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.449 2.484 -36.556 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.578 5.394 -36.948 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.966 4.912 -35.945 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.669 5.912 -35.248 1.00 0.00 H new ATOM 584 N GLU A 34 -0.853 1.847 -34.769 1.00 0.00 N ATOM 585 CA GLU A 34 -0.157 0.807 -35.507 1.00 0.00 C ATOM 586 C GLU A 34 0.785 0.037 -34.589 1.00 0.00 C ATOM 587 O GLU A 34 1.038 -1.150 -34.790 1.00 0.00 O ATOM 588 CB GLU A 34 0.620 1.392 -36.686 1.00 0.00 C ATOM 589 CG GLU A 34 1.615 2.475 -36.308 1.00 0.00 C ATOM 590 CD GLU A 34 2.639 2.721 -37.395 1.00 0.00 C ATOM 591 OE1 GLU A 34 3.540 1.872 -37.563 1.00 0.00 O ATOM 592 OE2 GLU A 34 2.553 3.757 -38.090 1.00 0.00 O ATOM 0 H GLU A 34 -0.491 2.789 -34.916 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.907 0.120 -35.899 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.153 0.586 -37.189 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.089 1.802 -37.405 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.079 3.401 -36.101 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.126 2.190 -35.388 1.00 0.00 H new ATOM 599 N PHE A 35 1.305 0.725 -33.585 1.00 0.00 N ATOM 600 CA PHE A 35 2.196 0.113 -32.612 1.00 0.00 C ATOM 601 C PHE A 35 1.421 -0.833 -31.706 1.00 0.00 C ATOM 602 O PHE A 35 1.922 -1.884 -31.324 1.00 0.00 O ATOM 603 CB PHE A 35 2.898 1.189 -31.778 1.00 0.00 C ATOM 604 CG PHE A 35 4.038 0.673 -30.949 1.00 0.00 C ATOM 605 CD1 PHE A 35 3.912 0.536 -29.576 1.00 0.00 C ATOM 606 CD2 PHE A 35 5.239 0.331 -31.544 1.00 0.00 C ATOM 607 CE1 PHE A 35 4.963 0.064 -28.816 1.00 0.00 C ATOM 608 CE2 PHE A 35 6.293 -0.142 -30.789 1.00 0.00 C ATOM 609 CZ PHE A 35 6.156 -0.273 -29.422 1.00 0.00 C ATOM 0 H PHE A 35 1.123 1.715 -33.422 1.00 0.00 H new ATOM 0 HA PHE A 35 2.953 -0.459 -33.149 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.270 1.966 -32.446 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.167 1.658 -31.120 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.982 0.801 -29.096 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.353 0.435 -32.613 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.852 -0.042 -27.747 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.224 -0.409 -31.267 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.981 -0.638 -28.828 1.00 0.00 H new ATOM 619 N LEU A 36 0.192 -0.462 -31.371 1.00 0.00 N ATOM 620 CA LEU A 36 -0.659 -1.305 -30.536 1.00 0.00 C ATOM 621 C LEU A 36 -0.991 -2.612 -31.248 1.00 0.00 C ATOM 622 O LEU A 36 -1.081 -3.665 -30.622 1.00 0.00 O ATOM 623 CB LEU A 36 -1.945 -0.568 -30.156 1.00 0.00 C ATOM 624 CG LEU A 36 -1.751 0.673 -29.281 1.00 0.00 C ATOM 625 CD1 LEU A 36 -3.075 1.386 -29.059 1.00 0.00 C ATOM 626 CD2 LEU A 36 -1.115 0.297 -27.951 1.00 0.00 C ATOM 0 H LEU A 36 -0.239 0.415 -31.663 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.110 -1.538 -29.624 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.459 -0.271 -31.071 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.602 -1.263 -29.633 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.079 1.356 -29.801 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.915 2.265 -28.435 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.488 1.694 -30.020 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.773 0.711 -28.563 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.985 1.193 -27.344 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.760 -0.408 -27.426 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.144 -0.164 -28.130 1.00 0.00 H new ATOM 638 N LEU A 37 -1.144 -2.547 -32.562 1.00 0.00 N ATOM 639 CA LEU A 37 -1.434 -3.739 -33.353 1.00 0.00 C ATOM 640 C LEU A 37 -0.155 -4.501 -33.682 1.00 0.00 C ATOM 641 O LEU A 37 -0.171 -5.449 -34.468 1.00 0.00 O ATOM 642 CB LEU A 37 -2.173 -3.370 -34.645 1.00 0.00 C ATOM 643 CG LEU A 37 -3.699 -3.243 -34.532 1.00 0.00 C ATOM 644 CD1 LEU A 37 -4.320 -4.574 -34.140 1.00 0.00 C ATOM 645 CD2 LEU A 37 -4.089 -2.163 -33.536 1.00 0.00 C ATOM 0 H LEU A 37 -1.073 -1.686 -33.104 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.077 -4.385 -32.755 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.775 -2.423 -35.011 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.945 -4.124 -35.399 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.082 -2.954 -35.511 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.402 -4.463 -34.065 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.084 -5.323 -34.896 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.921 -4.892 -33.177 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.175 -2.097 -33.478 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.688 -2.412 -32.554 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.684 -1.205 -33.861 1.00 0.00 H new ATOM 657 N ASP A 38 0.948 -4.080 -33.077 1.00 0.00 N ATOM 658 CA ASP A 38 2.237 -4.737 -33.270 1.00 0.00 C ATOM 659 C ASP A 38 2.773 -5.240 -31.935 1.00 0.00 C ATOM 660 O ASP A 38 3.160 -6.401 -31.795 1.00 0.00 O ATOM 661 CB ASP A 38 3.244 -3.763 -33.887 1.00 0.00 C ATOM 662 CG ASP A 38 4.528 -4.441 -34.324 1.00 0.00 C ATOM 663 OD1 ASP A 38 4.642 -4.790 -35.518 1.00 0.00 O ATOM 664 OD2 ASP A 38 5.437 -4.614 -33.484 1.00 0.00 O ATOM 0 H ASP A 38 0.977 -3.281 -32.444 1.00 0.00 H new ATOM 0 HA ASP A 38 2.096 -5.581 -33.945 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.787 -3.272 -34.746 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.479 -2.983 -33.162 1.00 0.00 H new ATOM 669 N PHE A 39 2.779 -4.347 -30.957 1.00 0.00 N ATOM 670 CA PHE A 39 3.280 -4.652 -29.624 1.00 0.00 C ATOM 671 C PHE A 39 2.397 -5.692 -28.941 1.00 0.00 C ATOM 672 O PHE A 39 2.893 -6.622 -28.310 1.00 0.00 O ATOM 673 CB PHE A 39 3.335 -3.370 -28.786 1.00 0.00 C ATOM 674 CG PHE A 39 4.019 -3.534 -27.458 1.00 0.00 C ATOM 675 CD1 PHE A 39 5.396 -3.419 -27.358 1.00 0.00 C ATOM 676 CD2 PHE A 39 3.287 -3.797 -26.313 1.00 0.00 C ATOM 677 CE1 PHE A 39 6.030 -3.564 -26.140 1.00 0.00 C ATOM 678 CE2 PHE A 39 3.914 -3.945 -25.092 1.00 0.00 C ATOM 679 CZ PHE A 39 5.287 -3.827 -25.005 1.00 0.00 C ATOM 0 H PHE A 39 2.437 -3.392 -31.064 1.00 0.00 H new ATOM 0 HA PHE A 39 4.285 -5.065 -29.714 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.852 -2.598 -29.356 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.318 -3.015 -28.618 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.980 -3.214 -28.243 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.213 -3.887 -26.376 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.104 -3.472 -26.075 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.332 -4.153 -24.206 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.780 -3.940 -24.051 1.00 0.00 H new ATOM 689 N CYS A 40 1.089 -5.535 -29.076 1.00 0.00 N ATOM 690 CA CYS A 40 0.152 -6.469 -28.478 1.00 0.00 C ATOM 691 C CYS A 40 -0.754 -7.090 -29.540 1.00 0.00 C ATOM 692 O CYS A 40 -1.969 -6.895 -29.538 1.00 0.00 O ATOM 693 CB CYS A 40 -0.664 -5.779 -27.377 1.00 0.00 C ATOM 694 SG CYS A 40 -1.211 -4.103 -27.785 1.00 0.00 S ATOM 0 H CYS A 40 0.655 -4.771 -29.593 1.00 0.00 H new ATOM 0 HA CYS A 40 0.718 -7.279 -28.018 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.540 -6.389 -27.155 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.064 -5.740 -26.468 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.851 -3.813 -29.000 1.00 0.00 H new ATOM 700 N THR A 41 -0.145 -7.828 -30.457 1.00 0.00 N ATOM 701 CA THR A 41 -0.884 -8.538 -31.489 1.00 0.00 C ATOM 702 C THR A 41 -1.316 -9.910 -30.980 1.00 0.00 C ATOM 703 O THR A 41 -2.412 -10.385 -31.274 1.00 0.00 O ATOM 704 CB THR A 41 -0.017 -8.728 -32.749 1.00 0.00 C ATOM 705 OG1 THR A 41 0.716 -7.528 -33.019 1.00 0.00 O ATOM 706 CG2 THR A 41 -0.874 -9.082 -33.955 1.00 0.00 C ATOM 0 H THR A 41 0.866 -7.951 -30.506 1.00 0.00 H new ATOM 0 HA THR A 41 -1.762 -7.943 -31.740 1.00 0.00 H new ATOM 0 HB THR A 41 0.675 -9.549 -32.564 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.276 -7.031 -33.740 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.236 -9.210 -34.830 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.412 -10.009 -33.759 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.589 -8.280 -34.141 1.00 0.00 H new ATOM 714 N GLY A 42 -0.439 -10.528 -30.203 1.00 0.00 N ATOM 715 CA GLY A 42 -0.670 -11.867 -29.706 1.00 0.00 C ATOM 716 C GLY A 42 0.606 -12.679 -29.738 1.00 0.00 C ATOM 717 O GLY A 42 1.030 -13.236 -28.726 1.00 0.00 O ATOM 0 H GLY A 42 0.445 -10.116 -29.904 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.051 -11.820 -28.686 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.434 -12.357 -30.310 1.00 0.00 H new ATOM 721 N GLU A 43 1.220 -12.731 -30.911 1.00 0.00 N ATOM 722 CA GLU A 43 2.493 -13.383 -31.102 1.00 0.00 C ATOM 723 C GLU A 43 3.543 -12.344 -31.479 1.00 0.00 C ATOM 724 O GLU A 43 3.231 -11.362 -32.155 1.00 0.00 O ATOM 725 CB GLU A 43 2.356 -14.422 -32.207 1.00 0.00 C ATOM 726 CG GLU A 43 1.251 -15.430 -31.946 1.00 0.00 C ATOM 727 CD GLU A 43 0.959 -16.305 -33.142 1.00 0.00 C ATOM 728 OE1 GLU A 43 1.422 -17.465 -33.169 1.00 0.00 O ATOM 729 OE2 GLU A 43 0.256 -15.839 -34.065 1.00 0.00 O ATOM 0 H GLU A 43 0.839 -12.316 -31.761 1.00 0.00 H new ATOM 0 HA GLU A 43 2.803 -13.877 -30.181 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.161 -13.915 -33.152 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.302 -14.951 -32.319 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.532 -16.059 -31.102 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.343 -14.900 -31.660 1.00 0.00 H new ATOM 736 N ASP A 44 4.774 -12.552 -31.033 1.00 0.00 N ATOM 737 CA ASP A 44 5.857 -11.613 -31.306 1.00 0.00 C ATOM 738 C ASP A 44 6.554 -11.954 -32.611 1.00 0.00 C ATOM 739 O ASP A 44 6.661 -11.122 -33.509 1.00 0.00 O ATOM 740 CB ASP A 44 6.876 -11.614 -30.163 1.00 0.00 C ATOM 741 CG ASP A 44 8.089 -10.756 -30.472 1.00 0.00 C ATOM 742 OD1 ASP A 44 9.122 -11.309 -30.911 1.00 0.00 O ATOM 743 OD2 ASP A 44 8.017 -9.524 -30.280 1.00 0.00 O ATOM 0 H ASP A 44 5.049 -13.363 -30.480 1.00 0.00 H new ATOM 0 HA ASP A 44 5.419 -10.618 -31.391 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.399 -11.250 -29.253 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.198 -12.637 -29.967 1.00 0.00 H new ATOM 748 N SER A 45 7.027 -13.180 -32.702 1.00 0.00 N ATOM 749 CA SER A 45 7.741 -13.646 -33.880 1.00 0.00 C ATOM 750 C SER A 45 7.500 -15.136 -34.085 1.00 0.00 C ATOM 751 O SER A 45 7.605 -15.925 -33.144 1.00 0.00 O ATOM 752 CB SER A 45 9.243 -13.386 -33.731 1.00 0.00 C ATOM 753 OG SER A 45 9.521 -12.011 -33.516 1.00 0.00 O ATOM 0 H SER A 45 6.930 -13.881 -31.967 1.00 0.00 H new ATOM 0 HA SER A 45 7.369 -13.099 -34.746 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.632 -13.970 -32.897 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.761 -13.726 -34.628 1.00 0.00 H new ATOM 0 HG SER A 45 9.306 -11.775 -32.589 1.00 0.00 H new ATOM 759 N VAL A 46 7.161 -15.513 -35.311 1.00 0.00 N ATOM 760 CA VAL A 46 6.957 -16.916 -35.643 1.00 0.00 C ATOM 761 C VAL A 46 8.296 -17.579 -35.930 1.00 0.00 C ATOM 762 O VAL A 46 8.533 -18.728 -35.561 1.00 0.00 O ATOM 763 CB VAL A 46 6.029 -17.090 -36.863 1.00 0.00 C ATOM 764 CG1 VAL A 46 5.679 -18.556 -37.068 1.00 0.00 C ATOM 765 CG2 VAL A 46 4.770 -16.252 -36.703 1.00 0.00 C ATOM 0 H VAL A 46 7.022 -14.869 -36.089 1.00 0.00 H new ATOM 0 HA VAL A 46 6.479 -17.390 -34.785 1.00 0.00 H new ATOM 0 HB VAL A 46 6.560 -16.741 -37.749 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.024 -18.656 -37.933 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.592 -19.128 -37.236 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.170 -18.936 -36.182 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.129 -16.389 -37.574 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.236 -16.566 -35.806 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.042 -15.200 -36.614 1.00 0.00 H new ATOM 775 N ASP A 47 9.171 -16.838 -36.587 1.00 0.00 N ATOM 776 CA ASP A 47 10.520 -17.309 -36.868 1.00 0.00 C ATOM 777 C ASP A 47 11.506 -16.159 -36.723 1.00 0.00 C ATOM 778 O ASP A 47 11.115 -15.039 -36.383 1.00 0.00 O ATOM 779 CB ASP A 47 10.616 -17.928 -38.272 1.00 0.00 C ATOM 780 CG ASP A 47 10.598 -16.905 -39.395 1.00 0.00 C ATOM 781 OD1 ASP A 47 11.676 -16.612 -39.959 1.00 0.00 O ATOM 782 OD2 ASP A 47 9.505 -16.405 -39.736 1.00 0.00 O ATOM 0 H ASP A 47 8.972 -15.902 -36.939 1.00 0.00 H new ATOM 0 HA ASP A 47 10.769 -18.088 -36.148 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.534 -18.512 -38.340 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.786 -18.621 -38.411 1.00 0.00 H new ATOM 787 N GLY A 48 12.777 -16.439 -36.952 1.00 0.00 N ATOM 788 CA GLY A 48 13.792 -15.412 -36.842 1.00 0.00 C ATOM 789 C GLY A 48 14.874 -15.786 -35.854 1.00 0.00 C ATOM 790 O GLY A 48 15.908 -15.123 -35.778 1.00 0.00 O ATOM 0 H GLY A 48 13.127 -17.361 -37.213 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.239 -15.239 -37.821 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.328 -14.475 -36.533 1.00 0.00 H new ATOM 794 N LYS A 49 14.626 -16.857 -35.101 1.00 0.00 N ATOM 795 CA LYS A 49 15.566 -17.344 -34.094 1.00 0.00 C ATOM 796 C LYS A 49 15.931 -16.231 -33.117 1.00 0.00 C ATOM 797 O LYS A 49 17.099 -15.859 -32.978 1.00 0.00 O ATOM 798 CB LYS A 49 16.822 -17.917 -34.759 1.00 0.00 C ATOM 799 CG LYS A 49 16.536 -19.106 -35.663 1.00 0.00 C ATOM 800 CD LYS A 49 17.809 -19.643 -36.296 1.00 0.00 C ATOM 801 CE LYS A 49 17.528 -20.834 -37.198 1.00 0.00 C ATOM 802 NZ LYS A 49 16.983 -21.992 -36.442 1.00 0.00 N ATOM 0 H LYS A 49 13.771 -17.409 -35.172 1.00 0.00 H new ATOM 0 HA LYS A 49 15.083 -18.144 -33.533 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.305 -17.133 -35.343 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.528 -18.219 -33.986 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.054 -19.895 -35.086 1.00 0.00 H new ATOM 0 HG3 LYS A 49 15.836 -18.810 -36.445 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.289 -18.854 -36.874 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.509 -19.936 -35.514 1.00 0.00 H new ATOM 0 HE2 LYS A 49 16.820 -20.542 -37.973 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.448 -21.131 -37.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.997 -22.838 -37.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 17.566 -22.160 -35.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.005 -21.789 -36.153 1.00 0.00 H new ATOM 816 N LYS A 50 14.918 -15.699 -32.456 1.00 0.00 N ATOM 817 CA LYS A 50 15.102 -14.608 -31.519 1.00 0.00 C ATOM 818 C LYS A 50 14.815 -15.090 -30.099 1.00 0.00 C ATOM 819 O LYS A 50 14.275 -16.180 -29.901 1.00 0.00 O ATOM 820 CB LYS A 50 14.179 -13.443 -31.892 1.00 0.00 C ATOM 821 CG LYS A 50 14.475 -12.158 -31.138 1.00 0.00 C ATOM 822 CD LYS A 50 13.519 -11.049 -31.527 1.00 0.00 C ATOM 823 CE LYS A 50 13.825 -9.762 -30.780 1.00 0.00 C ATOM 824 NZ LYS A 50 15.202 -9.273 -31.051 1.00 0.00 N ATOM 0 H LYS A 50 13.951 -16.009 -32.553 1.00 0.00 H new ATOM 0 HA LYS A 50 16.134 -14.261 -31.564 1.00 0.00 H new ATOM 0 HB2 LYS A 50 14.264 -13.253 -32.962 1.00 0.00 H new ATOM 0 HB3 LYS A 50 13.146 -13.735 -31.701 1.00 0.00 H new ATOM 0 HG2 LYS A 50 14.404 -12.340 -30.066 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.499 -11.844 -31.341 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.583 -10.872 -32.601 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.496 -11.359 -31.316 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.105 -8.996 -31.068 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.703 -9.927 -29.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.292 -8.290 -30.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.888 -9.870 -30.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.391 -9.316 -32.073 1.00 0.00 H new ATOM 838 N ARG A 51 15.200 -14.282 -29.120 1.00 0.00 N ATOM 839 CA ARG A 51 15.014 -14.603 -27.719 1.00 0.00 C ATOM 840 C ARG A 51 13.536 -14.544 -27.326 1.00 0.00 C ATOM 841 O ARG A 51 13.096 -13.591 -26.682 1.00 0.00 O ATOM 842 CB ARG A 51 15.824 -13.616 -26.877 1.00 0.00 C ATOM 843 CG ARG A 51 16.409 -14.221 -25.618 1.00 0.00 C ATOM 844 CD ARG A 51 15.333 -14.606 -24.615 1.00 0.00 C ATOM 845 NE ARG A 51 15.896 -15.175 -23.391 1.00 0.00 N ATOM 846 CZ ARG A 51 15.224 -15.293 -22.246 1.00 0.00 C ATOM 847 NH1 ARG A 51 13.967 -14.877 -22.161 1.00 0.00 N ATOM 848 NH2 ARG A 51 15.816 -15.825 -21.186 1.00 0.00 N ATOM 0 H ARG A 51 15.652 -13.382 -29.281 1.00 0.00 H new ATOM 0 HA ARG A 51 15.360 -15.621 -27.540 1.00 0.00 H new ATOM 0 HB2 ARG A 51 16.634 -13.213 -27.485 1.00 0.00 H new ATOM 0 HB3 ARG A 51 15.184 -12.777 -26.602 1.00 0.00 H new ATOM 0 HG2 ARG A 51 16.994 -15.103 -25.878 1.00 0.00 H new ATOM 0 HG3 ARG A 51 17.094 -13.509 -25.158 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.740 -13.726 -24.365 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.655 -15.328 -25.071 1.00 0.00 H new ATOM 0 HE ARG A 51 16.862 -15.502 -23.415 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.510 -14.464 -22.974 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.457 -14.970 -21.282 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.783 -16.143 -21.248 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.304 -15.917 -20.308 1.00 0.00 H new ATOM 862 N GLN A 52 12.777 -15.558 -27.717 1.00 0.00 N ATOM 863 CA GLN A 52 11.390 -15.677 -27.306 1.00 0.00 C ATOM 864 C GLN A 52 11.322 -16.282 -25.912 1.00 0.00 C ATOM 865 O GLN A 52 11.036 -15.593 -24.932 1.00 0.00 O ATOM 866 CB GLN A 52 10.604 -16.544 -28.295 1.00 0.00 C ATOM 867 CG GLN A 52 10.590 -16.013 -29.721 1.00 0.00 C ATOM 868 CD GLN A 52 9.980 -14.629 -29.828 1.00 0.00 C ATOM 869 OE1 GLN A 52 9.124 -14.247 -29.030 1.00 0.00 O ATOM 870 NE2 GLN A 52 10.409 -13.869 -30.822 1.00 0.00 N ATOM 0 H GLN A 52 13.103 -16.312 -28.321 1.00 0.00 H new ATOM 0 HA GLN A 52 10.942 -14.684 -27.292 1.00 0.00 H new ATOM 0 HB2 GLN A 52 11.029 -17.548 -28.298 1.00 0.00 H new ATOM 0 HB3 GLN A 52 9.576 -16.634 -27.943 1.00 0.00 H new ATOM 0 HG2 GLN A 52 11.610 -15.986 -30.103 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.031 -16.701 -30.354 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.120 -14.221 -31.463 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.029 -12.931 -30.947 1.00 0.00 H new ATOM 879 N ARG A 53 11.606 -17.573 -25.828 1.00 0.00 N ATOM 880 CA ARG A 53 11.637 -18.267 -24.547 1.00 0.00 C ATOM 881 C ARG A 53 13.074 -18.568 -24.143 1.00 0.00 C ATOM 882 O ARG A 53 13.374 -18.740 -22.959 1.00 0.00 O ATOM 883 CB ARG A 53 10.840 -19.571 -24.612 1.00 0.00 C ATOM 884 CG ARG A 53 9.377 -19.388 -24.983 1.00 0.00 C ATOM 885 CD ARG A 53 8.661 -20.725 -25.065 1.00 0.00 C ATOM 886 NE ARG A 53 7.272 -20.588 -25.501 1.00 0.00 N ATOM 887 CZ ARG A 53 6.405 -21.599 -25.551 1.00 0.00 C ATOM 888 NH1 ARG A 53 6.774 -22.814 -25.162 1.00 0.00 N ATOM 889 NH2 ARG A 53 5.166 -21.392 -25.985 1.00 0.00 N ATOM 0 H ARG A 53 11.819 -18.163 -26.632 1.00 0.00 H new ATOM 0 HA ARG A 53 11.181 -17.615 -23.802 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.308 -20.234 -25.340 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.898 -20.068 -23.644 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.888 -18.755 -24.243 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.303 -18.873 -25.941 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.193 -21.377 -25.757 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.686 -21.208 -24.088 1.00 0.00 H new ATOM 0 HE ARG A 53 6.947 -19.663 -25.784 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.723 -22.975 -24.824 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.109 -23.586 -25.201 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.878 -20.459 -26.280 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.503 -22.166 -26.023 1.00 0.00 H new ATOM 903 N HIS A 54 13.956 -18.620 -25.135 1.00 0.00 N ATOM 904 CA HIS A 54 15.356 -18.962 -24.905 1.00 0.00 C ATOM 905 C HIS A 54 16.252 -18.244 -25.906 1.00 0.00 C ATOM 906 O HIS A 54 15.816 -17.889 -27.001 1.00 0.00 O ATOM 907 CB HIS A 54 15.565 -20.483 -24.995 1.00 0.00 C ATOM 908 CG HIS A 54 15.189 -21.094 -26.314 1.00 0.00 C ATOM 909 ND1 HIS A 54 16.113 -21.580 -27.217 1.00 0.00 N ATOM 910 CD2 HIS A 54 13.975 -21.312 -26.870 1.00 0.00 C ATOM 911 CE1 HIS A 54 15.481 -22.066 -28.269 1.00 0.00 C ATOM 912 NE2 HIS A 54 14.184 -21.916 -28.082 1.00 0.00 N ATOM 0 H HIS A 54 13.726 -18.429 -26.110 1.00 0.00 H new ATOM 0 HA HIS A 54 15.626 -18.636 -23.901 1.00 0.00 H new ATOM 0 HB2 HIS A 54 16.613 -20.704 -24.794 1.00 0.00 H new ATOM 0 HB3 HIS A 54 14.982 -20.963 -24.209 1.00 0.00 H new ATOM 0 HD1 HIS A 54 17.125 -21.566 -27.091 1.00 0.00 H new ATOM 0 HD2 HIS A 54 13.018 -21.057 -26.438 1.00 0.00 H new ATOM 0 HE1 HIS A 54 15.947 -22.511 -29.136 1.00 0.00 H new ATOM 921 N SER A 55 17.496 -18.021 -25.516 1.00 0.00 N ATOM 922 CA SER A 55 18.455 -17.328 -26.360 1.00 0.00 C ATOM 923 C SER A 55 19.295 -18.328 -27.143 1.00 0.00 C ATOM 924 O SER A 55 19.424 -18.230 -28.364 1.00 0.00 O ATOM 925 CB SER A 55 19.357 -16.437 -25.501 1.00 0.00 C ATOM 926 OG SER A 55 20.257 -15.684 -26.298 1.00 0.00 O ATOM 0 H SER A 55 17.868 -18.313 -24.612 1.00 0.00 H new ATOM 0 HA SER A 55 17.911 -16.704 -27.069 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.742 -15.761 -24.907 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.919 -17.055 -24.801 1.00 0.00 H new ATOM 0 HG SER A 55 20.817 -15.125 -25.720 1.00 0.00 H new ATOM 932 N GLY A 56 19.853 -19.297 -26.437 1.00 0.00 N ATOM 933 CA GLY A 56 20.693 -20.282 -27.073 1.00 0.00 C ATOM 934 C GLY A 56 20.096 -21.667 -26.994 1.00 0.00 C ATOM 935 O GLY A 56 18.879 -21.829 -27.133 1.00 0.00 O ATOM 0 H GLY A 56 19.737 -19.418 -25.431 1.00 0.00 H new ATOM 0 HA2 GLY A 56 20.843 -20.011 -28.118 1.00 0.00 H new ATOM 0 HA3 GLY A 56 21.675 -20.282 -26.599 1.00 0.00 H new ATOM 939 N LEU A 57 20.950 -22.654 -26.746 1.00 0.00 N ATOM 940 CA LEU A 57 20.539 -24.053 -26.683 1.00 0.00 C ATOM 941 C LEU A 57 19.899 -24.479 -27.990 1.00 0.00 C ATOM 942 O LEU A 57 18.705 -24.769 -28.059 1.00 0.00 O ATOM 943 CB LEU A 57 19.598 -24.321 -25.499 1.00 0.00 C ATOM 944 CG LEU A 57 20.283 -24.503 -24.139 1.00 0.00 C ATOM 945 CD1 LEU A 57 21.262 -25.668 -24.186 1.00 0.00 C ATOM 946 CD2 LEU A 57 20.994 -23.228 -23.715 1.00 0.00 C ATOM 0 H LEU A 57 21.946 -22.508 -26.583 1.00 0.00 H new ATOM 0 HA LEU A 57 21.436 -24.652 -26.523 1.00 0.00 H new ATOM 0 HB2 LEU A 57 18.893 -23.493 -25.423 1.00 0.00 H new ATOM 0 HB3 LEU A 57 19.016 -25.217 -25.716 1.00 0.00 H new ATOM 0 HG LEU A 57 19.514 -24.726 -23.399 1.00 0.00 H new ATOM 0 HD11 LEU A 57 21.739 -25.782 -23.212 1.00 0.00 H new ATOM 0 HD12 LEU A 57 20.726 -26.583 -24.437 1.00 0.00 H new ATOM 0 HD13 LEU A 57 22.023 -25.474 -24.942 1.00 0.00 H new ATOM 0 HD21 LEU A 57 21.472 -23.382 -22.748 1.00 0.00 H new ATOM 0 HD22 LEU A 57 21.750 -22.969 -24.456 1.00 0.00 H new ATOM 0 HD23 LEU A 57 20.270 -22.417 -23.637 1.00 0.00 H new ATOM 958 N THR A 58 20.714 -24.510 -29.025 1.00 0.00 N ATOM 959 CA THR A 58 20.274 -24.924 -30.344 1.00 0.00 C ATOM 960 C THR A 58 20.590 -26.395 -30.570 1.00 0.00 C ATOM 961 O THR A 58 20.375 -26.942 -31.652 1.00 0.00 O ATOM 962 CB THR A 58 20.949 -24.075 -31.431 1.00 0.00 C ATOM 963 OG1 THR A 58 22.334 -23.880 -31.108 1.00 0.00 O ATOM 964 CG2 THR A 58 20.260 -22.729 -31.571 1.00 0.00 C ATOM 0 H THR A 58 21.699 -24.249 -28.977 1.00 0.00 H new ATOM 0 HA THR A 58 19.195 -24.778 -30.404 1.00 0.00 H new ATOM 0 HB THR A 58 20.868 -24.605 -32.380 1.00 0.00 H new ATOM 0 HG1 THR A 58 22.760 -23.339 -31.806 1.00 0.00 H new ATOM 0 HG21 THR A 58 20.756 -22.145 -32.347 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.216 -22.881 -31.843 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.313 -22.193 -30.624 1.00 0.00 H new ATOM 972 N GLU A 59 21.110 -27.023 -29.531 1.00 0.00 N ATOM 973 CA GLU A 59 21.454 -28.430 -29.571 1.00 0.00 C ATOM 974 C GLU A 59 20.690 -29.164 -28.481 1.00 0.00 C ATOM 975 O GLU A 59 20.784 -28.795 -27.309 1.00 0.00 O ATOM 976 CB GLU A 59 22.957 -28.597 -29.365 1.00 0.00 C ATOM 977 CG GLU A 59 23.791 -27.785 -30.340 1.00 0.00 C ATOM 978 CD GLU A 59 25.242 -27.710 -29.931 1.00 0.00 C ATOM 979 OE1 GLU A 59 25.594 -26.804 -29.148 1.00 0.00 O ATOM 980 OE2 GLU A 59 26.037 -28.558 -30.380 1.00 0.00 O ATOM 0 H GLU A 59 21.305 -26.571 -28.637 1.00 0.00 H new ATOM 0 HA GLU A 59 21.184 -28.848 -30.541 1.00 0.00 H new ATOM 0 HB2 GLU A 59 23.212 -28.303 -28.347 1.00 0.00 H new ATOM 0 HB3 GLU A 59 23.216 -29.651 -29.467 1.00 0.00 H new ATOM 0 HG2 GLU A 59 23.719 -28.228 -31.333 1.00 0.00 H new ATOM 0 HG3 GLU A 59 23.383 -26.777 -30.411 1.00 0.00 H new ATOM 987 N GLN A 60 19.930 -30.184 -28.874 1.00 0.00 N ATOM 988 CA GLN A 60 19.080 -30.929 -27.943 1.00 0.00 C ATOM 989 C GLN A 60 18.081 -29.989 -27.287 1.00 0.00 C ATOM 990 O GLN A 60 17.905 -29.983 -26.068 1.00 0.00 O ATOM 991 CB GLN A 60 19.924 -31.640 -26.883 1.00 0.00 C ATOM 992 CG GLN A 60 20.844 -32.695 -27.461 1.00 0.00 C ATOM 993 CD GLN A 60 20.088 -33.864 -28.061 1.00 0.00 C ATOM 994 OE1 GLN A 60 19.769 -34.830 -27.370 1.00 0.00 O ATOM 995 NE2 GLN A 60 19.810 -33.792 -29.353 1.00 0.00 N ATOM 0 H GLN A 60 19.885 -30.516 -29.837 1.00 0.00 H new ATOM 0 HA GLN A 60 18.535 -31.689 -28.503 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.520 -30.901 -26.347 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.262 -32.105 -26.153 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.473 -32.242 -28.227 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.508 -33.060 -26.678 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.092 -32.972 -29.891 1.00 0.00 H new ATOM 0 HE22 GLN A 60 19.313 -34.556 -29.811 1.00 0.00 H new ATOM 1004 N THR A 61 17.437 -29.195 -28.120 1.00 0.00 N ATOM 1005 CA THR A 61 16.516 -28.170 -27.659 1.00 0.00 C ATOM 1006 C THR A 61 15.188 -28.772 -27.202 1.00 0.00 C ATOM 1007 O THR A 61 14.828 -28.696 -26.027 1.00 0.00 O ATOM 1008 CB THR A 61 16.253 -27.147 -28.779 1.00 0.00 C ATOM 1009 OG1 THR A 61 17.499 -26.720 -29.343 1.00 0.00 O ATOM 1010 CG2 THR A 61 15.492 -25.939 -28.253 1.00 0.00 C ATOM 0 H THR A 61 17.536 -29.241 -29.134 1.00 0.00 H new ATOM 0 HA THR A 61 16.980 -27.673 -26.807 1.00 0.00 H new ATOM 0 HB THR A 61 15.644 -27.628 -29.544 1.00 0.00 H new ATOM 0 HG1 THR A 61 18.005 -26.215 -28.673 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.321 -25.234 -29.067 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.534 -26.262 -27.845 1.00 0.00 H new ATOM 0 HG23 THR A 61 16.075 -25.454 -27.470 1.00 0.00 H new ATOM 1018 N TYR A 62 14.476 -29.389 -28.132 1.00 0.00 N ATOM 1019 CA TYR A 62 13.137 -29.888 -27.859 1.00 0.00 C ATOM 1020 C TYR A 62 13.175 -31.383 -27.561 1.00 0.00 C ATOM 1021 O TYR A 62 12.175 -32.087 -27.688 1.00 0.00 O ATOM 1022 CB TYR A 62 12.220 -29.586 -29.052 1.00 0.00 C ATOM 1023 CG TYR A 62 10.737 -29.657 -28.739 1.00 0.00 C ATOM 1024 CD1 TYR A 62 9.927 -30.631 -29.311 1.00 0.00 C ATOM 1025 CD2 TYR A 62 10.149 -28.743 -27.873 1.00 0.00 C ATOM 1026 CE1 TYR A 62 8.576 -30.691 -29.031 1.00 0.00 C ATOM 1027 CE2 TYR A 62 8.799 -28.798 -27.586 1.00 0.00 C ATOM 1028 CZ TYR A 62 8.016 -29.773 -28.168 1.00 0.00 C ATOM 1029 OH TYR A 62 6.669 -29.827 -27.887 1.00 0.00 O ATOM 0 H TYR A 62 14.803 -29.556 -29.083 1.00 0.00 H new ATOM 0 HA TYR A 62 12.739 -29.384 -26.978 1.00 0.00 H new ATOM 0 HB2 TYR A 62 12.452 -28.590 -29.429 1.00 0.00 H new ATOM 0 HB3 TYR A 62 12.444 -30.290 -29.853 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.362 -31.353 -29.986 1.00 0.00 H new ATOM 0 HD2 TYR A 62 10.758 -27.977 -27.417 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.961 -31.453 -29.486 1.00 0.00 H new ATOM 0 HE2 TYR A 62 8.359 -28.081 -26.909 1.00 0.00 H new ATOM 0 HH TYR A 62 6.436 -29.110 -27.261 1.00 0.00 H new ATOM 1039 N SER A 63 14.339 -31.863 -27.159 1.00 0.00 N ATOM 1040 CA SER A 63 14.495 -33.260 -26.787 1.00 0.00 C ATOM 1041 C SER A 63 14.190 -33.445 -25.305 1.00 0.00 C ATOM 1042 O SER A 63 14.209 -34.559 -24.781 1.00 0.00 O ATOM 1043 CB SER A 63 15.908 -33.736 -27.118 1.00 0.00 C ATOM 1044 OG SER A 63 16.877 -32.848 -26.590 1.00 0.00 O ATOM 0 H SER A 63 15.190 -31.307 -27.082 1.00 0.00 H new ATOM 0 HA SER A 63 13.789 -33.863 -27.358 1.00 0.00 H new ATOM 0 HB2 SER A 63 16.064 -34.735 -26.711 1.00 0.00 H new ATOM 0 HB3 SER A 63 16.027 -33.810 -28.199 1.00 0.00 H new ATOM 0 HG SER A 63 17.453 -33.330 -25.961 1.00 0.00 H new ATOM 1050 N ALA A 64 13.920 -32.334 -24.634 1.00 0.00 N ATOM 1051 CA ALA A 64 13.491 -32.355 -23.249 1.00 0.00 C ATOM 1052 C ALA A 64 12.167 -31.620 -23.122 1.00 0.00 C ATOM 1053 O ALA A 64 12.095 -30.525 -22.562 1.00 0.00 O ATOM 1054 CB ALA A 64 14.545 -31.735 -22.348 1.00 0.00 C ATOM 0 H ALA A 64 13.993 -31.399 -25.035 1.00 0.00 H new ATOM 0 HA ALA A 64 13.356 -33.389 -22.931 1.00 0.00 H new ATOM 0 HB1 ALA A 64 14.201 -31.762 -21.314 1.00 0.00 H new ATOM 0 HB2 ALA A 64 15.475 -32.297 -22.436 1.00 0.00 H new ATOM 0 HB3 ALA A 64 14.716 -30.701 -22.647 1.00 0.00 H new ATOM 1060 N LEU A 65 11.135 -32.231 -23.686 1.00 0.00 N ATOM 1061 CA LEU A 65 9.795 -31.660 -23.725 1.00 0.00 C ATOM 1062 C LEU A 65 9.292 -31.345 -22.316 1.00 0.00 C ATOM 1063 O LEU A 65 9.120 -32.249 -21.497 1.00 0.00 O ATOM 1064 CB LEU A 65 8.849 -32.655 -24.409 1.00 0.00 C ATOM 1065 CG LEU A 65 7.649 -32.058 -25.146 1.00 0.00 C ATOM 1066 CD1 LEU A 65 6.895 -33.155 -25.874 1.00 0.00 C ATOM 1067 CD2 LEU A 65 6.711 -31.322 -24.202 1.00 0.00 C ATOM 0 H LEU A 65 11.204 -33.145 -24.133 1.00 0.00 H new ATOM 0 HA LEU A 65 9.824 -30.727 -24.287 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.429 -33.243 -25.121 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.476 -33.346 -23.653 1.00 0.00 H new ATOM 0 HG LEU A 65 8.029 -31.332 -25.865 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.041 -32.724 -26.397 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.557 -33.635 -26.594 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.544 -33.895 -25.154 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.873 -30.914 -24.767 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.337 -32.014 -23.447 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.250 -30.510 -23.714 1.00 0.00 H new ATOM 1079 N PRO A 66 9.062 -30.057 -22.017 1.00 0.00 N ATOM 1080 CA PRO A 66 8.504 -29.633 -20.735 1.00 0.00 C ATOM 1081 C PRO A 66 7.040 -30.039 -20.603 1.00 0.00 C ATOM 1082 O PRO A 66 6.198 -29.592 -21.385 1.00 0.00 O ATOM 1083 CB PRO A 66 8.632 -28.102 -20.756 1.00 0.00 C ATOM 1084 CG PRO A 66 9.503 -27.782 -21.926 1.00 0.00 C ATOM 1085 CD PRO A 66 9.334 -28.912 -22.896 1.00 0.00 C ATOM 0 HA PRO A 66 9.022 -30.093 -19.893 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.655 -27.629 -20.855 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.072 -27.734 -19.829 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.213 -26.834 -22.379 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.545 -27.684 -21.620 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.513 -28.730 -23.590 1.00 0.00 H new ATOM 0 HD3 PRO A 66 10.230 -29.067 -23.497 1.00 0.00 H new ATOM 1093 N GLU A 67 6.759 -30.893 -19.618 1.00 0.00 N ATOM 1094 CA GLU A 67 5.407 -31.391 -19.352 1.00 0.00 C ATOM 1095 C GLU A 67 4.937 -32.344 -20.450 1.00 0.00 C ATOM 1096 O GLU A 67 4.557 -31.915 -21.541 1.00 0.00 O ATOM 1097 CB GLU A 67 4.407 -30.242 -19.198 1.00 0.00 C ATOM 1098 CG GLU A 67 4.643 -29.385 -17.970 1.00 0.00 C ATOM 1099 CD GLU A 67 3.630 -28.269 -17.854 1.00 0.00 C ATOM 1100 OE1 GLU A 67 2.468 -28.552 -17.495 1.00 0.00 O ATOM 1101 OE2 GLU A 67 3.991 -27.105 -18.130 1.00 0.00 O ATOM 0 H GLU A 67 7.464 -31.261 -18.980 1.00 0.00 H new ATOM 0 HA GLU A 67 5.452 -31.940 -18.411 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.455 -29.610 -20.085 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.399 -30.654 -19.154 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.598 -30.010 -17.078 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.646 -28.961 -18.011 1.00 0.00 H new ATOM 1108 N PRO A 68 4.945 -33.657 -20.169 1.00 0.00 N ATOM 1109 CA PRO A 68 4.495 -34.673 -21.122 1.00 0.00 C ATOM 1110 C PRO A 68 2.972 -34.707 -21.259 1.00 0.00 C ATOM 1111 O PRO A 68 2.327 -35.717 -20.968 1.00 0.00 O ATOM 1112 CB PRO A 68 5.015 -35.979 -20.522 1.00 0.00 C ATOM 1113 CG PRO A 68 5.105 -35.720 -19.058 1.00 0.00 C ATOM 1114 CD PRO A 68 5.402 -34.252 -18.900 1.00 0.00 C ATOM 0 HA PRO A 68 4.863 -34.480 -22.130 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.340 -36.808 -20.736 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.987 -36.245 -20.937 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.172 -35.983 -18.560 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.890 -36.325 -18.605 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.873 -33.827 -18.047 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.465 -34.075 -18.736 1.00 0.00 H new ATOM 1122 N LYS A 69 2.403 -33.596 -21.705 1.00 0.00 N ATOM 1123 CA LYS A 69 0.962 -33.493 -21.899 1.00 0.00 C ATOM 1124 C LYS A 69 0.597 -33.797 -23.344 1.00 0.00 C ATOM 1125 O LYS A 69 -0.473 -33.428 -23.825 1.00 0.00 O ATOM 1126 CB LYS A 69 0.457 -32.105 -21.495 1.00 0.00 C ATOM 1127 CG LYS A 69 1.191 -30.956 -22.169 1.00 0.00 C ATOM 1128 CD LYS A 69 0.594 -29.614 -21.777 1.00 0.00 C ATOM 1129 CE LYS A 69 1.379 -28.456 -22.368 1.00 0.00 C ATOM 1130 NZ LYS A 69 1.437 -28.514 -23.853 1.00 0.00 N ATOM 0 H LYS A 69 2.920 -32.749 -21.941 1.00 0.00 H new ATOM 0 HA LYS A 69 0.477 -34.230 -21.258 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.604 -32.033 -21.733 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.550 -31.997 -20.414 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.245 -30.982 -21.892 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.143 -31.076 -23.251 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.441 -29.563 -22.116 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.578 -29.526 -20.691 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.922 -27.515 -22.061 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.392 -28.464 -21.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.832 -27.624 -24.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.042 -29.308 -24.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.478 -28.650 -24.233 1.00 0.00 H new ATOM 1144 N ALA A 70 1.499 -34.473 -24.025 1.00 0.00 N ATOM 1145 CA ALA A 70 1.281 -34.881 -25.397 1.00 0.00 C ATOM 1146 C ALA A 70 1.560 -36.369 -25.539 1.00 0.00 C ATOM 1147 O ALA A 70 1.844 -36.861 -26.631 1.00 0.00 O ATOM 1148 CB ALA A 70 2.167 -34.071 -26.327 1.00 0.00 C ATOM 0 H ALA A 70 2.402 -34.755 -23.644 1.00 0.00 H new ATOM 0 HA ALA A 70 0.242 -34.696 -25.671 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.996 -34.385 -27.357 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.929 -33.012 -26.226 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.213 -34.234 -26.067 1.00 0.00 H new ATOM 1154 N THR A 71 1.476 -37.070 -24.410 1.00 0.00 N ATOM 1155 CA THR A 71 1.742 -38.500 -24.353 1.00 0.00 C ATOM 1156 C THR A 71 3.191 -38.793 -24.748 1.00 0.00 C ATOM 1157 O THR A 71 4.083 -38.589 -23.900 1.00 0.00 O ATOM 1158 CB THR A 71 0.764 -39.283 -25.255 1.00 0.00 C ATOM 1159 OG1 THR A 71 -0.586 -38.900 -24.950 1.00 0.00 O ATOM 1160 CG2 THR A 71 0.914 -40.785 -25.059 1.00 0.00 C ATOM 1161 OXT THR A 71 3.441 -39.205 -25.899 1.00 0.00 O ATOM 0 H THR A 71 1.222 -36.660 -23.511 1.00 0.00 H new ATOM 0 HA THR A 71 1.590 -38.831 -23.326 1.00 0.00 H new ATOM 0 HB THR A 71 0.997 -39.044 -26.293 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.205 -39.397 -25.525 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.212 -41.309 -25.708 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.932 -41.085 -25.309 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.706 -41.039 -24.020 1.00 0.00 H new TER 1169 THR A 71