USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 808 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.00766 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -6:sc= 1.55 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= 1.23 (180deg=1.08) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 40:sc= 0.451 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.015 USER MOD Single : A 35 GLN :FLIP amide:sc= -1.58! C(o=-6.1!,f=-1.6!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -33:sc= 0.0343 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -60:sc= -0.287 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 156:sc= 0.124 (180deg=-0.507) USER MOD Single : A 71 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 78 ASN : amide:sc= -2.87! C(o=-2.9!,f=-7.1!) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.224 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -168:sc= -2.32 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00418 USER MOD Single : A 92 GLN :FLIP amide:sc= -1.84 F(o=-2.5,f=-1.8) USER MOD Single : A 97 LYS NZ :NH3+ -158:sc= 0.0916 (180deg=-0.656) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.500 -0.505 13.899 1.00 0.00 N ATOM 2 CA GLY A 1 -30.325 -1.790 13.245 1.00 0.00 C ATOM 3 C GLY A 1 -30.675 -2.940 14.191 1.00 0.00 C ATOM 4 O GLY A 1 -31.682 -2.885 14.895 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.983 0.151 13.252 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.073 -0.628 14.758 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.570 -0.117 14.156 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.956 -1.839 12.358 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.293 -1.893 12.908 1.00 0.00 H new ATOM 8 N SER A 2 -29.823 -3.955 14.178 1.00 0.00 N ATOM 9 CA SER A 2 -30.030 -5.116 15.027 1.00 0.00 C ATOM 10 C SER A 2 -28.747 -5.946 15.100 1.00 0.00 C ATOM 11 O SER A 2 -28.036 -6.085 14.106 1.00 0.00 O ATOM 12 CB SER A 2 -31.188 -5.974 14.514 1.00 0.00 C ATOM 13 OG SER A 2 -30.849 -6.668 13.316 1.00 0.00 O ATOM 0 H SER A 2 -28.988 -3.997 13.593 1.00 0.00 H new ATOM 0 HA SER A 2 -30.287 -4.767 16.027 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.474 -6.694 15.281 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.056 -5.340 14.332 1.00 0.00 H new ATOM 0 HG SER A 2 -31.614 -7.206 13.022 1.00 0.00 H new ATOM 19 N SER A 3 -28.489 -6.476 16.286 1.00 0.00 N ATOM 20 CA SER A 3 -27.304 -7.288 16.502 1.00 0.00 C ATOM 21 C SER A 3 -26.047 -6.475 16.184 1.00 0.00 C ATOM 22 O SER A 3 -25.812 -6.115 15.032 1.00 0.00 O ATOM 23 CB SER A 3 -27.344 -8.558 15.650 1.00 0.00 C ATOM 24 OG SER A 3 -27.092 -8.287 14.274 1.00 0.00 O ATOM 0 H SER A 3 -29.081 -6.359 17.108 1.00 0.00 H new ATOM 0 HA SER A 3 -27.280 -7.586 17.550 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.604 -9.267 16.021 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.320 -9.033 15.753 1.00 0.00 H new ATOM 0 HG SER A 3 -27.034 -7.318 14.137 1.00 0.00 H new ATOM 30 N GLY A 4 -25.273 -6.210 17.226 1.00 0.00 N ATOM 31 CA GLY A 4 -24.047 -5.446 17.072 1.00 0.00 C ATOM 32 C GLY A 4 -24.325 -3.943 17.137 1.00 0.00 C ATOM 33 O GLY A 4 -25.473 -3.515 17.029 1.00 0.00 O ATOM 0 H GLY A 4 -25.471 -6.511 18.180 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.341 -5.723 17.855 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.579 -5.692 16.119 1.00 0.00 H new ATOM 37 N SER A 5 -23.255 -3.183 17.314 1.00 0.00 N ATOM 38 CA SER A 5 -23.369 -1.736 17.394 1.00 0.00 C ATOM 39 C SER A 5 -22.783 -1.094 16.136 1.00 0.00 C ATOM 40 O SER A 5 -22.005 -1.721 15.419 1.00 0.00 O ATOM 41 CB SER A 5 -22.666 -1.197 18.642 1.00 0.00 C ATOM 42 OG SER A 5 -23.319 -0.043 19.165 1.00 0.00 O ATOM 0 H SER A 5 -22.304 -3.541 17.404 1.00 0.00 H new ATOM 0 HA SER A 5 -24.426 -1.480 17.465 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.636 -1.974 19.406 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.633 -0.950 18.398 1.00 0.00 H new ATOM 0 HG SER A 5 -22.842 0.270 19.962 1.00 0.00 H new ATOM 48 N SER A 6 -23.179 0.149 15.905 1.00 0.00 N ATOM 49 CA SER A 6 -22.703 0.883 14.745 1.00 0.00 C ATOM 50 C SER A 6 -22.701 2.385 15.040 1.00 0.00 C ATOM 51 O SER A 6 -23.664 3.083 14.728 1.00 0.00 O ATOM 52 CB SER A 6 -23.561 0.586 13.514 1.00 0.00 C ATOM 53 OG SER A 6 -22.995 1.128 12.324 1.00 0.00 O ATOM 0 H SER A 6 -23.824 0.667 16.502 1.00 0.00 H new ATOM 0 HA SER A 6 -21.684 0.559 14.531 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.674 -0.492 13.403 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.560 0.998 13.660 1.00 0.00 H new ATOM 0 HG SER A 6 -23.572 0.915 11.561 1.00 0.00 H new ATOM 59 N GLY A 7 -21.609 2.836 15.639 1.00 0.00 N ATOM 60 CA GLY A 7 -21.470 4.242 15.980 1.00 0.00 C ATOM 61 C GLY A 7 -20.374 4.445 17.029 1.00 0.00 C ATOM 62 O GLY A 7 -20.482 3.947 18.149 1.00 0.00 O ATOM 0 H GLY A 7 -20.812 2.253 15.897 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.232 4.816 15.084 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.418 4.623 16.360 1.00 0.00 H new ATOM 66 N PHE A 8 -19.345 5.178 16.629 1.00 0.00 N ATOM 67 CA PHE A 8 -18.231 5.454 17.521 1.00 0.00 C ATOM 68 C PHE A 8 -18.451 6.761 18.284 1.00 0.00 C ATOM 69 O PHE A 8 -19.003 7.717 17.741 1.00 0.00 O ATOM 70 CB PHE A 8 -16.983 5.591 16.647 1.00 0.00 C ATOM 71 CG PHE A 8 -16.205 4.286 16.464 1.00 0.00 C ATOM 72 CD1 PHE A 8 -15.237 3.940 17.354 1.00 0.00 C ATOM 73 CD2 PHE A 8 -16.483 3.471 15.411 1.00 0.00 C ATOM 74 CE1 PHE A 8 -14.515 2.729 17.184 1.00 0.00 C ATOM 75 CE2 PHE A 8 -15.761 2.260 15.241 1.00 0.00 C ATOM 76 CZ PHE A 8 -14.793 1.915 16.131 1.00 0.00 C ATOM 0 H PHE A 8 -19.259 5.589 15.699 1.00 0.00 H new ATOM 0 HA PHE A 8 -18.130 4.651 18.251 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -17.278 5.967 15.667 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -16.322 6.337 17.089 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -15.017 4.587 18.191 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -17.253 3.745 14.704 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -13.746 2.455 17.891 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -15.981 1.613 14.405 1.00 0.00 H new ATOM 0 HZ PHE A 8 -14.244 0.994 16.002 1.00 0.00 H new ATOM 86 N PHE A 9 -18.007 6.762 19.533 1.00 0.00 N ATOM 87 CA PHE A 9 -18.148 7.936 20.376 1.00 0.00 C ATOM 88 C PHE A 9 -16.932 8.856 20.244 1.00 0.00 C ATOM 89 O PHE A 9 -17.075 10.043 19.956 1.00 0.00 O ATOM 90 CB PHE A 9 -18.242 7.440 21.821 1.00 0.00 C ATOM 91 CG PHE A 9 -19.675 7.227 22.313 1.00 0.00 C ATOM 92 CD1 PHE A 9 -20.572 8.248 22.258 1.00 0.00 C ATOM 93 CD2 PHE A 9 -20.052 6.017 22.805 1.00 0.00 C ATOM 94 CE1 PHE A 9 -21.902 8.050 22.714 1.00 0.00 C ATOM 95 CE2 PHE A 9 -21.382 5.819 23.262 1.00 0.00 C ATOM 96 CZ PHE A 9 -22.279 6.840 23.207 1.00 0.00 C ATOM 0 H PHE A 9 -17.549 5.968 19.981 1.00 0.00 H new ATOM 0 HA PHE A 9 -19.032 8.502 20.081 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -17.695 6.501 21.908 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -17.747 8.159 22.474 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -20.273 9.209 21.867 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -19.340 5.206 22.848 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -22.614 8.861 22.669 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -21.681 4.858 23.653 1.00 0.00 H new ATOM 0 HZ PHE A 9 -23.290 6.690 23.555 1.00 0.00 H new ATOM 106 N LYS A 10 -15.762 8.272 20.460 1.00 0.00 N ATOM 107 CA LYS A 10 -14.522 9.024 20.369 1.00 0.00 C ATOM 108 C LYS A 10 -13.380 8.073 20.006 1.00 0.00 C ATOM 109 O LYS A 10 -12.908 7.313 20.850 1.00 0.00 O ATOM 110 CB LYS A 10 -14.279 9.814 21.656 1.00 0.00 C ATOM 111 CG LYS A 10 -14.184 11.314 21.369 1.00 0.00 C ATOM 112 CD LYS A 10 -12.732 11.736 21.130 1.00 0.00 C ATOM 113 CE LYS A 10 -12.495 12.077 19.658 1.00 0.00 C ATOM 114 NZ LYS A 10 -11.166 11.596 19.222 1.00 0.00 N ATOM 0 H LYS A 10 -15.647 7.287 20.698 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.584 9.767 19.574 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.089 9.626 22.361 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.359 9.472 22.129 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.786 11.559 20.494 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.596 11.875 22.208 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.494 12.600 21.750 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.061 10.932 21.433 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.272 11.622 19.044 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.564 13.155 19.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.898 12.071 18.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.461 11.810 19.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.203 10.568 19.066 1.00 0.00 H new ATOM 128 N GLY A 11 -12.969 8.146 18.748 1.00 0.00 N ATOM 129 CA GLY A 11 -11.891 7.301 18.263 1.00 0.00 C ATOM 130 C GLY A 11 -10.530 7.838 18.709 1.00 0.00 C ATOM 131 O GLY A 11 -10.380 9.035 18.954 1.00 0.00 O ATOM 0 H GLY A 11 -13.363 8.777 18.050 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -12.025 6.285 18.635 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.926 7.249 17.175 1.00 0.00 H new ATOM 135 N ALA A 12 -9.571 6.928 18.802 1.00 0.00 N ATOM 136 CA ALA A 12 -8.227 7.296 19.214 1.00 0.00 C ATOM 137 C ALA A 12 -7.216 6.395 18.503 1.00 0.00 C ATOM 138 O ALA A 12 -6.358 6.880 17.766 1.00 0.00 O ATOM 139 CB ALA A 12 -8.118 7.206 20.738 1.00 0.00 C ATOM 0 H ALA A 12 -9.698 5.937 18.599 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.007 8.325 18.931 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.110 7.482 21.048 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.837 7.886 21.195 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.329 6.186 21.058 1.00 0.00 H new ATOM 145 N ALA A 13 -7.349 5.100 18.749 1.00 0.00 N ATOM 146 CA ALA A 13 -6.457 4.127 18.141 1.00 0.00 C ATOM 147 C ALA A 13 -6.992 3.746 16.759 1.00 0.00 C ATOM 148 O ALA A 13 -8.104 4.124 16.393 1.00 0.00 O ATOM 149 CB ALA A 13 -6.316 2.916 19.066 1.00 0.00 C ATOM 0 H ALA A 13 -8.061 4.702 19.361 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.462 4.550 18.004 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.647 2.186 18.610 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.906 3.236 20.024 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.295 2.463 19.224 1.00 0.00 H new ATOM 155 N SER A 14 -6.174 3.002 16.028 1.00 0.00 N ATOM 156 CA SER A 14 -6.551 2.565 14.695 1.00 0.00 C ATOM 157 C SER A 14 -5.943 1.191 14.403 1.00 0.00 C ATOM 158 O SER A 14 -4.745 0.987 14.588 1.00 0.00 O ATOM 159 CB SER A 14 -6.105 3.577 13.638 1.00 0.00 C ATOM 160 OG SER A 14 -7.214 4.188 12.983 1.00 0.00 O ATOM 0 H SER A 14 -5.252 2.691 16.334 1.00 0.00 H new ATOM 0 HA SER A 14 -7.638 2.491 14.654 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.493 4.346 14.108 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.478 3.078 12.900 1.00 0.00 H new ATOM 0 HG SER A 14 -6.888 4.829 12.317 1.00 0.00 H new ATOM 166 N SER A 15 -6.799 0.285 13.952 1.00 0.00 N ATOM 167 CA SER A 15 -6.361 -1.063 13.633 1.00 0.00 C ATOM 168 C SER A 15 -6.763 -1.418 12.200 1.00 0.00 C ATOM 169 O SER A 15 -7.927 -1.713 11.933 1.00 0.00 O ATOM 170 CB SER A 15 -6.947 -2.079 14.616 1.00 0.00 C ATOM 171 OG SER A 15 -8.368 -1.999 14.683 1.00 0.00 O ATOM 0 H SER A 15 -7.793 0.458 13.800 1.00 0.00 H new ATOM 0 HA SER A 15 -5.275 -1.100 13.719 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.654 -3.085 14.315 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.527 -1.908 15.607 1.00 0.00 H new ATOM 0 HG SER A 15 -8.730 -1.856 13.784 1.00 0.00 H new ATOM 177 N VAL A 16 -5.777 -1.379 11.316 1.00 0.00 N ATOM 178 CA VAL A 16 -6.014 -1.693 9.917 1.00 0.00 C ATOM 179 C VAL A 16 -7.217 -0.893 9.415 1.00 0.00 C ATOM 180 O VAL A 16 -7.888 -0.219 10.196 1.00 0.00 O ATOM 181 CB VAL A 16 -6.185 -3.204 9.742 1.00 0.00 C ATOM 182 CG1 VAL A 16 -7.472 -3.690 10.411 1.00 0.00 C ATOM 183 CG2 VAL A 16 -6.157 -3.590 8.262 1.00 0.00 C ATOM 0 H VAL A 16 -4.813 -1.135 11.541 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.156 -1.404 9.310 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.345 -3.696 10.233 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.570 -4.767 10.272 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.436 -3.463 11.477 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.328 -3.187 9.962 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.280 -4.669 8.165 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.968 -3.083 7.738 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.203 -3.293 7.827 1.00 0.00 H new ATOM 193 N LEU A 17 -7.453 -0.993 8.115 1.00 0.00 N ATOM 194 CA LEU A 17 -8.564 -0.286 7.500 1.00 0.00 C ATOM 195 C LEU A 17 -9.353 -1.255 6.618 1.00 0.00 C ATOM 196 O LEU A 17 -8.779 -2.163 6.019 1.00 0.00 O ATOM 197 CB LEU A 17 -8.064 0.955 6.758 1.00 0.00 C ATOM 198 CG LEU A 17 -7.359 2.010 7.613 1.00 0.00 C ATOM 199 CD1 LEU A 17 -6.608 3.014 6.736 1.00 0.00 C ATOM 200 CD2 LEU A 17 -8.347 2.699 8.557 1.00 0.00 C ATOM 0 H LEU A 17 -6.894 -1.553 7.471 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.251 0.083 8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.378 0.633 5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.914 1.425 6.264 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.617 1.508 8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.116 3.753 7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.860 2.490 6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.312 3.516 6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.821 3.444 9.154 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.128 3.187 7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.797 1.957 9.217 1.00 0.00 H new ATOM 212 N GLU A 18 -10.657 -1.028 6.565 1.00 0.00 N ATOM 213 CA GLU A 18 -11.531 -1.870 5.765 1.00 0.00 C ATOM 214 C GLU A 18 -11.751 -1.247 4.385 1.00 0.00 C ATOM 215 O GLU A 18 -12.326 -0.165 4.273 1.00 0.00 O ATOM 216 CB GLU A 18 -12.864 -2.110 6.477 1.00 0.00 C ATOM 217 CG GLU A 18 -12.671 -2.976 7.724 1.00 0.00 C ATOM 218 CD GLU A 18 -13.896 -2.902 8.637 1.00 0.00 C ATOM 219 OE1 GLU A 18 -14.041 -1.858 9.309 1.00 0.00 O ATOM 220 OE2 GLU A 18 -14.661 -3.891 8.643 1.00 0.00 O ATOM 0 H GLU A 18 -11.130 -0.274 7.063 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.048 -2.838 5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.307 -1.155 6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.562 -2.597 5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.495 -4.010 7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.787 -2.644 8.268 1.00 0.00 H new ATOM 227 N LEU A 19 -11.283 -1.957 3.369 1.00 0.00 N ATOM 228 CA LEU A 19 -11.421 -1.487 2.001 1.00 0.00 C ATOM 229 C LEU A 19 -12.904 -1.281 1.685 1.00 0.00 C ATOM 230 O LEU A 19 -13.760 -1.485 2.544 1.00 0.00 O ATOM 231 CB LEU A 19 -10.712 -2.437 1.034 1.00 0.00 C ATOM 232 CG LEU A 19 -9.183 -2.397 1.055 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.662 -1.067 0.506 1.00 0.00 C ATOM 234 CD2 LEU A 19 -8.646 -2.688 2.457 1.00 0.00 C ATOM 0 H LEU A 19 -10.808 -2.854 3.466 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.931 -0.521 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.032 -3.455 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.048 -2.211 0.022 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.812 -3.184 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.572 -1.065 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.001 -0.940 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.041 -0.248 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.557 -2.653 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.024 -1.940 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.974 -3.678 2.774 1.00 0.00 H new ATOM 246 N THR A 20 -13.162 -0.879 0.449 1.00 0.00 N ATOM 247 CA THR A 20 -14.527 -0.644 0.008 1.00 0.00 C ATOM 248 C THR A 20 -14.715 -1.133 -1.429 1.00 0.00 C ATOM 249 O THR A 20 -13.906 -1.908 -1.936 1.00 0.00 O ATOM 250 CB THR A 20 -14.831 0.845 0.189 1.00 0.00 C ATOM 251 OG1 THR A 20 -13.923 1.495 -0.697 1.00 0.00 O ATOM 252 CG2 THR A 20 -14.435 1.360 1.574 1.00 0.00 C ATOM 0 H THR A 20 -12.449 -0.710 -0.261 1.00 0.00 H new ATOM 0 HA THR A 20 -15.240 -1.212 0.606 1.00 0.00 H new ATOM 0 HB THR A 20 -15.895 1.020 0.028 1.00 0.00 H new ATOM 0 HG1 THR A 20 -14.053 2.465 -0.645 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.672 2.421 1.649 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.985 0.810 2.338 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.365 1.216 1.724 1.00 0.00 H new ATOM 260 N GLU A 21 -15.788 -0.659 -2.046 1.00 0.00 N ATOM 261 CA GLU A 21 -16.093 -1.038 -3.415 1.00 0.00 C ATOM 262 C GLU A 21 -15.050 -0.456 -4.372 1.00 0.00 C ATOM 263 O GLU A 21 -14.632 -1.120 -5.319 1.00 0.00 O ATOM 264 CB GLU A 21 -17.504 -0.594 -3.806 1.00 0.00 C ATOM 265 CG GLU A 21 -18.166 -1.620 -4.726 1.00 0.00 C ATOM 266 CD GLU A 21 -19.097 -0.936 -5.730 1.00 0.00 C ATOM 267 OE1 GLU A 21 -20.213 -0.565 -5.307 1.00 0.00 O ATOM 268 OE2 GLU A 21 -18.671 -0.799 -6.897 1.00 0.00 O ATOM 0 H GLU A 21 -16.457 -0.016 -1.623 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.057 -2.125 -3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.109 -0.461 -2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.459 0.373 -4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.400 -2.183 -5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.731 -2.337 -4.130 1.00 0.00 H new ATOM 275 N ALA A 22 -14.659 0.779 -4.091 1.00 0.00 N ATOM 276 CA ALA A 22 -13.674 1.457 -4.915 1.00 0.00 C ATOM 277 C ALA A 22 -12.270 1.090 -4.429 1.00 0.00 C ATOM 278 O ALA A 22 -11.483 0.510 -5.176 1.00 0.00 O ATOM 279 CB ALA A 22 -13.927 2.966 -4.876 1.00 0.00 C ATOM 0 H ALA A 22 -15.007 1.327 -3.304 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.758 1.138 -5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.188 3.475 -5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.926 3.177 -5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.848 3.322 -3.849 1.00 0.00 H new ATOM 285 N GLU A 23 -11.999 1.442 -3.181 1.00 0.00 N ATOM 286 CA GLU A 23 -10.704 1.157 -2.587 1.00 0.00 C ATOM 287 C GLU A 23 -10.201 -0.214 -3.044 1.00 0.00 C ATOM 288 O GLU A 23 -9.062 -0.344 -3.490 1.00 0.00 O ATOM 289 CB GLU A 23 -10.771 1.235 -1.061 1.00 0.00 C ATOM 290 CG GLU A 23 -10.421 2.641 -0.568 1.00 0.00 C ATOM 291 CD GLU A 23 -11.021 2.902 0.815 1.00 0.00 C ATOM 292 OE1 GLU A 23 -10.807 2.044 1.698 1.00 0.00 O ATOM 293 OE2 GLU A 23 -11.680 3.954 0.958 1.00 0.00 O ATOM 0 H GLU A 23 -12.654 1.922 -2.564 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.997 1.914 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.772 0.966 -0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.082 0.511 -0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.338 2.756 -0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.793 3.382 -1.276 1.00 0.00 H new ATOM 300 N LEU A 24 -11.075 -1.202 -2.917 1.00 0.00 N ATOM 301 CA LEU A 24 -10.734 -2.558 -3.312 1.00 0.00 C ATOM 302 C LEU A 24 -10.105 -2.536 -4.706 1.00 0.00 C ATOM 303 O LEU A 24 -9.001 -3.043 -4.901 1.00 0.00 O ATOM 304 CB LEU A 24 -11.956 -3.472 -3.202 1.00 0.00 C ATOM 305 CG LEU A 24 -12.248 -4.038 -1.812 1.00 0.00 C ATOM 306 CD1 LEU A 24 -13.580 -4.792 -1.795 1.00 0.00 C ATOM 307 CD2 LEU A 24 -11.090 -4.909 -1.320 1.00 0.00 C ATOM 0 H LEU A 24 -12.019 -1.090 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.991 -2.977 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.832 -2.916 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.824 -4.306 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.342 -3.204 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.763 -5.184 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.386 -4.113 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.540 -5.617 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.323 -5.299 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.940 -5.739 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.181 -4.310 -1.269 1.00 0.00 H new ATOM 319 N VAL A 25 -10.834 -1.944 -5.640 1.00 0.00 N ATOM 320 CA VAL A 25 -10.362 -1.849 -7.011 1.00 0.00 C ATOM 321 C VAL A 25 -8.953 -1.251 -7.020 1.00 0.00 C ATOM 322 O VAL A 25 -8.045 -1.803 -7.640 1.00 0.00 O ATOM 323 CB VAL A 25 -11.357 -1.048 -7.853 1.00 0.00 C ATOM 324 CG1 VAL A 25 -10.806 -0.793 -9.258 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.714 -1.752 -7.916 1.00 0.00 C ATOM 0 H VAL A 25 -11.749 -1.525 -5.474 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.298 -2.839 -7.463 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.503 -0.082 -7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.533 -0.222 -9.836 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.875 -0.230 -9.187 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.617 -1.745 -9.753 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.403 -1.162 -8.520 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.592 -2.738 -8.364 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.116 -1.859 -6.908 1.00 0.00 H new ATOM 335 N THR A 26 -8.816 -0.132 -6.325 1.00 0.00 N ATOM 336 CA THR A 26 -7.533 0.547 -6.246 1.00 0.00 C ATOM 337 C THR A 26 -6.479 -0.376 -5.631 1.00 0.00 C ATOM 338 O THR A 26 -5.372 -0.496 -6.155 1.00 0.00 O ATOM 339 CB THR A 26 -7.734 1.846 -5.463 1.00 0.00 C ATOM 340 OG1 THR A 26 -8.389 2.711 -6.387 1.00 0.00 O ATOM 341 CG2 THR A 26 -6.413 2.557 -5.160 1.00 0.00 C ATOM 0 H THR A 26 -9.571 0.322 -5.811 1.00 0.00 H new ATOM 0 HA THR A 26 -7.158 0.802 -7.237 1.00 0.00 H new ATOM 0 HB THR A 26 -8.253 1.630 -4.529 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.559 3.577 -5.960 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.612 3.473 -4.603 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.775 1.902 -4.566 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.910 2.803 -6.095 1.00 0.00 H new ATOM 349 N ALA A 27 -6.859 -1.005 -4.529 1.00 0.00 N ATOM 350 CA ALA A 27 -5.960 -1.914 -3.838 1.00 0.00 C ATOM 351 C ALA A 27 -5.490 -2.997 -4.811 1.00 0.00 C ATOM 352 O ALA A 27 -4.349 -3.451 -4.735 1.00 0.00 O ATOM 353 CB ALA A 27 -6.667 -2.497 -2.613 1.00 0.00 C ATOM 0 H ALA A 27 -7.777 -0.903 -4.097 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.076 -1.384 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.993 -3.179 -2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.954 -1.689 -1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.558 -3.039 -2.931 1.00 0.00 H new ATOM 359 N GLU A 28 -6.393 -3.380 -5.702 1.00 0.00 N ATOM 360 CA GLU A 28 -6.084 -4.401 -6.688 1.00 0.00 C ATOM 361 C GLU A 28 -5.171 -3.831 -7.775 1.00 0.00 C ATOM 362 O GLU A 28 -4.318 -4.539 -8.308 1.00 0.00 O ATOM 363 CB GLU A 28 -7.363 -4.981 -7.295 1.00 0.00 C ATOM 364 CG GLU A 28 -7.937 -6.089 -6.410 1.00 0.00 C ATOM 365 CD GLU A 28 -7.927 -7.434 -7.139 1.00 0.00 C ATOM 366 OE1 GLU A 28 -8.266 -7.430 -8.342 1.00 0.00 O ATOM 367 OE2 GLU A 28 -7.580 -8.436 -6.477 1.00 0.00 O ATOM 0 H GLU A 28 -7.338 -3.002 -5.761 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.557 -5.213 -6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.102 -4.190 -7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.151 -5.377 -8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.354 -6.165 -5.492 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.957 -5.836 -6.120 1.00 0.00 H new ATOM 374 N ALA A 29 -5.381 -2.557 -8.072 1.00 0.00 N ATOM 375 CA ALA A 29 -4.587 -1.884 -9.085 1.00 0.00 C ATOM 376 C ALA A 29 -3.126 -1.838 -8.635 1.00 0.00 C ATOM 377 O ALA A 29 -2.221 -2.096 -9.427 1.00 0.00 O ATOM 378 CB ALA A 29 -5.163 -0.489 -9.341 1.00 0.00 C ATOM 0 H ALA A 29 -6.090 -1.973 -7.628 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.624 -2.430 -10.027 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.568 0.017 -10.101 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.193 -0.578 -9.687 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.139 0.089 -8.417 1.00 0.00 H new ATOM 384 N VAL A 30 -2.941 -1.508 -7.365 1.00 0.00 N ATOM 385 CA VAL A 30 -1.605 -1.425 -6.801 1.00 0.00 C ATOM 386 C VAL A 30 -0.962 -2.814 -6.818 1.00 0.00 C ATOM 387 O VAL A 30 0.188 -2.964 -7.228 1.00 0.00 O ATOM 388 CB VAL A 30 -1.665 -0.812 -5.401 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.336 -0.991 -4.665 1.00 0.00 C ATOM 390 CG2 VAL A 30 -2.062 0.664 -5.466 1.00 0.00 C ATOM 0 H VAL A 30 -3.694 -1.295 -6.711 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.977 -0.768 -7.402 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.433 -1.341 -4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.407 -0.546 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.112 -2.054 -4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.460 -0.501 -5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.097 1.076 -4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.328 1.212 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.044 0.757 -5.930 1.00 0.00 H new ATOM 400 N ARG A 31 -1.732 -3.793 -6.367 1.00 0.00 N ATOM 401 CA ARG A 31 -1.252 -5.164 -6.325 1.00 0.00 C ATOM 402 C ARG A 31 -0.613 -5.543 -7.663 1.00 0.00 C ATOM 403 O ARG A 31 0.418 -6.213 -7.694 1.00 0.00 O ATOM 404 CB ARG A 31 -2.391 -6.137 -6.018 1.00 0.00 C ATOM 405 CG ARG A 31 -1.862 -7.562 -5.840 1.00 0.00 C ATOM 406 CD ARG A 31 -2.685 -8.327 -4.801 1.00 0.00 C ATOM 407 NE ARG A 31 -3.621 -9.252 -5.478 1.00 0.00 N ATOM 408 CZ ARG A 31 -4.103 -10.372 -4.923 1.00 0.00 C ATOM 409 NH1 ARG A 31 -3.740 -10.713 -3.679 1.00 0.00 N ATOM 410 NH2 ARG A 31 -4.948 -11.152 -5.612 1.00 0.00 N ATOM 0 H ARG A 31 -2.685 -3.664 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.508 -5.231 -5.531 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.909 -5.822 -5.112 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.121 -6.115 -6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.895 -8.088 -6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.818 -7.530 -5.530 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.023 -8.886 -4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.240 -7.626 -4.177 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.918 -9.022 -6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.097 -10.120 -3.155 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.107 -11.566 -3.256 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.224 -10.893 -6.559 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.315 -12.005 -5.189 1.00 0.00 H new ATOM 424 N SER A 32 -1.252 -5.099 -8.735 1.00 0.00 N ATOM 425 CA SER A 32 -0.759 -5.384 -10.072 1.00 0.00 C ATOM 426 C SER A 32 0.640 -4.791 -10.251 1.00 0.00 C ATOM 427 O SER A 32 1.480 -5.370 -10.938 1.00 0.00 O ATOM 428 CB SER A 32 -1.709 -4.834 -11.138 1.00 0.00 C ATOM 429 OG SER A 32 -1.498 -5.446 -12.407 1.00 0.00 O ATOM 0 H SER A 32 -2.107 -4.544 -8.705 1.00 0.00 H new ATOM 0 HA SER A 32 -0.707 -6.466 -10.194 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.740 -4.997 -10.824 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.569 -3.757 -11.227 1.00 0.00 H new ATOM 0 HG SER A 32 -2.124 -5.069 -13.060 1.00 0.00 H new ATOM 435 N VAL A 33 0.847 -3.644 -9.620 1.00 0.00 N ATOM 436 CA VAL A 33 2.130 -2.967 -9.702 1.00 0.00 C ATOM 437 C VAL A 33 3.222 -3.883 -9.146 1.00 0.00 C ATOM 438 O VAL A 33 4.184 -4.201 -9.843 1.00 0.00 O ATOM 439 CB VAL A 33 2.056 -1.619 -8.981 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.371 -0.850 -9.122 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.877 -0.788 -9.491 1.00 0.00 C ATOM 0 H VAL A 33 0.148 -3.167 -9.050 1.00 0.00 H new ATOM 0 HA VAL A 33 2.384 -2.753 -10.740 1.00 0.00 H new ATOM 0 HB VAL A 33 1.894 -1.814 -7.921 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.292 0.104 -8.601 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.183 -1.434 -8.688 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.577 -0.671 -10.177 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.848 0.165 -8.962 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.995 -0.607 -10.559 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.053 -1.329 -9.315 1.00 0.00 H new ATOM 451 N TRP A 34 3.036 -4.282 -7.896 1.00 0.00 N ATOM 452 CA TRP A 34 3.993 -5.156 -7.240 1.00 0.00 C ATOM 453 C TRP A 34 4.300 -6.318 -8.186 1.00 0.00 C ATOM 454 O TRP A 34 5.455 -6.545 -8.541 1.00 0.00 O ATOM 455 CB TRP A 34 3.470 -5.616 -5.878 1.00 0.00 C ATOM 456 CG TRP A 34 3.467 -4.521 -4.809 1.00 0.00 C ATOM 457 CD1 TRP A 34 3.136 -3.230 -4.952 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.826 -4.674 -3.420 1.00 0.00 C ATOM 459 NE1 TRP A 34 3.256 -2.543 -3.761 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.689 -3.449 -2.800 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.254 -5.810 -2.710 1.00 0.00 C ATOM 462 CZ2 TRP A 34 3.958 -3.243 -1.441 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.519 -5.587 -1.354 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.385 -4.360 -0.715 1.00 0.00 C ATOM 0 H TRP A 34 2.237 -4.016 -7.321 1.00 0.00 H new ATOM 0 HA TRP A 34 4.921 -4.624 -7.031 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.455 -5.994 -5.999 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.080 -6.449 -5.529 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.816 -2.784 -5.882 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.062 -1.552 -3.613 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.369 -6.778 -3.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.842 -2.274 -0.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.851 -6.427 -0.763 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.610 -4.269 0.337 1.00 0.00 H new ATOM 475 N GLN A 35 3.245 -7.022 -8.568 1.00 0.00 N ATOM 476 CA GLN A 35 3.387 -8.155 -9.467 1.00 0.00 C ATOM 477 C GLN A 35 4.159 -7.743 -10.722 1.00 0.00 C ATOM 478 O GLN A 35 5.212 -8.304 -11.020 1.00 0.00 O ATOM 479 CB GLN A 35 2.022 -8.741 -9.831 1.00 0.00 C ATOM 480 CG GLN A 35 1.493 -9.637 -8.708 1.00 0.00 C ATOM 481 CD GLN A 35 1.911 -11.092 -8.925 1.00 0.00 C ATOM 482 OE1 GLN A 35 3.136 -11.374 -8.488 1.00 0.00 O flip ATOM 483 NE2 GLN A 35 1.171 -11.906 -9.453 1.00 0.00 N flip ATOM 0 H GLN A 35 2.288 -6.830 -8.272 1.00 0.00 H new ATOM 0 HA GLN A 35 3.954 -8.932 -8.954 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.315 -7.934 -10.021 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.103 -9.317 -10.753 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.872 -9.285 -7.748 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.406 -9.570 -8.666 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.242 -11.623 -9.766 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.481 -12.869 -9.581 1.00 0.00 H new ATOM 492 N ARG A 36 3.604 -6.766 -11.425 1.00 0.00 N ATOM 493 CA ARG A 36 4.227 -6.273 -12.642 1.00 0.00 C ATOM 494 C ARG A 36 5.724 -6.049 -12.418 1.00 0.00 C ATOM 495 O ARG A 36 6.541 -6.394 -13.271 1.00 0.00 O ATOM 496 CB ARG A 36 3.584 -4.961 -13.097 1.00 0.00 C ATOM 497 CG ARG A 36 2.675 -5.187 -14.307 1.00 0.00 C ATOM 498 CD ARG A 36 1.321 -5.755 -13.877 1.00 0.00 C ATOM 499 NE ARG A 36 0.805 -6.674 -14.916 1.00 0.00 N ATOM 500 CZ ARG A 36 1.114 -7.976 -14.987 1.00 0.00 C ATOM 501 NH1 ARG A 36 1.938 -8.520 -14.081 1.00 0.00 N ATOM 502 NH2 ARG A 36 0.599 -8.734 -15.965 1.00 0.00 N ATOM 0 H ARG A 36 2.730 -6.303 -11.175 1.00 0.00 H new ATOM 0 HA ARG A 36 4.081 -7.024 -13.418 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.006 -4.532 -12.278 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.361 -4.240 -13.351 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.527 -4.246 -14.836 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.156 -5.873 -15.005 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.424 -6.285 -12.930 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.612 -4.943 -13.713 1.00 0.00 H new ATOM 0 HE ARG A 36 0.175 -6.293 -15.622 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.330 -7.943 -13.337 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.173 -9.511 -14.135 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.028 -8.320 -16.655 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.834 -9.725 -16.019 1.00 0.00 H new ATOM 516 N ILE A 37 6.038 -5.472 -11.268 1.00 0.00 N ATOM 517 CA ILE A 37 7.422 -5.197 -10.922 1.00 0.00 C ATOM 518 C ILE A 37 8.134 -6.513 -10.602 1.00 0.00 C ATOM 519 O ILE A 37 8.975 -6.972 -11.374 1.00 0.00 O ATOM 520 CB ILE A 37 7.498 -4.167 -9.793 1.00 0.00 C ATOM 521 CG1 ILE A 37 7.094 -2.778 -10.291 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.885 -4.164 -9.146 1.00 0.00 C ATOM 523 CD1 ILE A 37 7.235 -1.735 -9.180 1.00 0.00 C ATOM 0 H ILE A 37 5.358 -5.187 -10.564 1.00 0.00 H new ATOM 0 HA ILE A 37 7.944 -4.748 -11.767 1.00 0.00 H new ATOM 0 HB ILE A 37 6.784 -4.452 -9.021 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.717 -2.497 -11.140 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.063 -2.800 -10.645 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.912 -3.423 -8.347 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.096 -5.151 -8.734 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.636 -3.916 -9.896 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.942 -0.756 -9.560 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.592 -2.006 -8.342 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.272 -1.698 -8.845 1.00 0.00 H new ATOM 535 N LEU A 38 7.771 -7.084 -9.462 1.00 0.00 N ATOM 536 CA LEU A 38 8.364 -8.338 -9.031 1.00 0.00 C ATOM 537 C LEU A 38 7.979 -9.444 -10.015 1.00 0.00 C ATOM 538 O LEU A 38 6.813 -9.827 -10.101 1.00 0.00 O ATOM 539 CB LEU A 38 7.979 -8.643 -7.582 1.00 0.00 C ATOM 540 CG LEU A 38 8.295 -7.549 -6.560 1.00 0.00 C ATOM 541 CD1 LEU A 38 7.299 -7.579 -5.399 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.743 -7.654 -6.076 1.00 0.00 C ATOM 0 H LEU A 38 7.073 -6.701 -8.824 1.00 0.00 H new ATOM 0 HA LEU A 38 9.452 -8.267 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.909 -8.848 -7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.489 -9.557 -7.276 1.00 0.00 H new ATOM 0 HG LEU A 38 8.188 -6.581 -7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.546 -6.792 -4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.290 -7.420 -5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.350 -8.547 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.942 -6.865 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.901 -8.626 -5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.419 -7.546 -6.924 1.00 0.00 H new ATOM 554 N PRO A 39 9.008 -9.941 -10.753 1.00 0.00 N ATOM 555 CA PRO A 39 8.790 -10.996 -11.728 1.00 0.00 C ATOM 556 C PRO A 39 8.587 -12.346 -11.039 1.00 0.00 C ATOM 557 O PRO A 39 7.481 -12.884 -11.031 1.00 0.00 O ATOM 558 CB PRO A 39 10.017 -10.964 -12.624 1.00 0.00 C ATOM 559 CG PRO A 39 11.083 -10.213 -11.844 1.00 0.00 C ATOM 560 CD PRO A 39 10.402 -9.513 -10.679 1.00 0.00 C ATOM 0 HA PRO A 39 7.883 -10.847 -12.313 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.349 -11.973 -12.867 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.799 -10.464 -13.568 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.847 -10.901 -11.482 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.585 -9.488 -12.485 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.853 -9.796 -9.728 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.489 -8.430 -10.763 1.00 0.00 H new ATOM 568 N LYS A 40 9.673 -12.856 -10.476 1.00 0.00 N ATOM 569 CA LYS A 40 9.628 -14.134 -9.785 1.00 0.00 C ATOM 570 C LYS A 40 8.329 -14.230 -8.983 1.00 0.00 C ATOM 571 O LYS A 40 7.680 -15.274 -8.969 1.00 0.00 O ATOM 572 CB LYS A 40 10.889 -14.330 -8.940 1.00 0.00 C ATOM 573 CG LYS A 40 12.138 -14.383 -9.823 1.00 0.00 C ATOM 574 CD LYS A 40 12.878 -15.710 -9.647 1.00 0.00 C ATOM 575 CE LYS A 40 14.081 -15.547 -8.716 1.00 0.00 C ATOM 576 NZ LYS A 40 14.939 -16.753 -8.762 1.00 0.00 N ATOM 0 H LYS A 40 10.589 -12.408 -10.484 1.00 0.00 H new ATOM 0 HA LYS A 40 9.621 -14.955 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.981 -13.514 -8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.806 -15.252 -8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.855 -14.256 -10.868 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.802 -13.556 -9.570 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.198 -16.459 -9.241 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.212 -16.076 -10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.659 -14.671 -9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.738 -15.376 -7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.751 -16.626 -8.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.389 -17.582 -8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.281 -16.899 -9.733 1.00 0.00 H new ATOM 590 N VAL A 41 7.989 -13.126 -8.333 1.00 0.00 N ATOM 591 CA VAL A 41 6.779 -13.073 -7.531 1.00 0.00 C ATOM 592 C VAL A 41 5.578 -13.448 -8.401 1.00 0.00 C ATOM 593 O VAL A 41 5.211 -12.706 -9.311 1.00 0.00 O ATOM 594 CB VAL A 41 6.641 -11.693 -6.883 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.291 -11.552 -6.178 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.796 -11.423 -5.917 1.00 0.00 C ATOM 0 H VAL A 41 8.531 -12.262 -8.346 1.00 0.00 H new ATOM 0 HA VAL A 41 6.828 -13.796 -6.717 1.00 0.00 H new ATOM 0 HB VAL A 41 6.685 -10.945 -7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.218 -10.563 -5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.487 -11.680 -6.903 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.204 -12.313 -5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.674 -10.436 -5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.798 -12.179 -5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.741 -11.461 -6.460 1.00 0.00 H new ATOM 606 N LEU A 42 4.999 -14.599 -8.091 1.00 0.00 N ATOM 607 CA LEU A 42 3.847 -15.081 -8.833 1.00 0.00 C ATOM 608 C LEU A 42 2.567 -14.565 -8.172 1.00 0.00 C ATOM 609 O LEU A 42 1.585 -14.278 -8.853 1.00 0.00 O ATOM 610 CB LEU A 42 3.898 -16.604 -8.971 1.00 0.00 C ATOM 611 CG LEU A 42 5.088 -17.168 -9.750 1.00 0.00 C ATOM 612 CD1 LEU A 42 5.993 -18.000 -8.840 1.00 0.00 C ATOM 613 CD2 LEU A 42 4.617 -17.960 -10.971 1.00 0.00 C ATOM 0 H LEU A 42 5.307 -15.212 -7.336 1.00 0.00 H new ATOM 0 HA LEU A 42 3.859 -14.691 -9.851 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.904 -17.039 -7.972 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.981 -16.936 -9.458 1.00 0.00 H new ATOM 0 HG LEU A 42 5.683 -16.333 -10.119 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.831 -18.389 -9.418 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.370 -17.374 -8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.424 -18.830 -8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.482 -18.350 -11.507 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.987 -18.788 -10.647 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.046 -17.307 -11.630 1.00 0.00 H new ATOM 625 N GLU A 43 2.621 -14.464 -6.852 1.00 0.00 N ATOM 626 CA GLU A 43 1.478 -13.988 -6.091 1.00 0.00 C ATOM 627 C GLU A 43 1.920 -12.938 -5.070 1.00 0.00 C ATOM 628 O GLU A 43 2.958 -13.089 -4.428 1.00 0.00 O ATOM 629 CB GLU A 43 0.755 -15.149 -5.405 1.00 0.00 C ATOM 630 CG GLU A 43 -0.304 -14.634 -4.427 1.00 0.00 C ATOM 631 CD GLU A 43 -1.650 -15.323 -4.664 1.00 0.00 C ATOM 632 OE1 GLU A 43 -2.046 -15.403 -5.847 1.00 0.00 O ATOM 633 OE2 GLU A 43 -2.252 -15.753 -3.657 1.00 0.00 O ATOM 0 H GLU A 43 3.438 -14.704 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 43 0.775 -13.522 -6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.284 -15.783 -6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.477 -15.768 -4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.024 -14.812 -3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.418 -13.556 -4.543 1.00 0.00 H new ATOM 640 N VAL A 44 1.111 -11.896 -4.953 1.00 0.00 N ATOM 641 CA VAL A 44 1.405 -10.820 -4.021 1.00 0.00 C ATOM 642 C VAL A 44 0.344 -10.801 -2.919 1.00 0.00 C ATOM 643 O VAL A 44 -0.804 -10.435 -3.164 1.00 0.00 O ATOM 644 CB VAL A 44 1.511 -9.491 -4.773 1.00 0.00 C ATOM 645 CG1 VAL A 44 1.143 -8.317 -3.864 1.00 0.00 C ATOM 646 CG2 VAL A 44 2.908 -9.307 -5.367 1.00 0.00 C ATOM 0 H VAL A 44 0.251 -11.773 -5.488 1.00 0.00 H new ATOM 0 HA VAL A 44 2.369 -10.984 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 44 0.798 -9.514 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.226 -7.385 -4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.119 -8.438 -3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.821 -8.291 -3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.956 -8.355 -5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.648 -9.315 -4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.117 -10.119 -6.063 1.00 0.00 H new ATOM 656 N GLU A 45 0.767 -11.200 -1.728 1.00 0.00 N ATOM 657 CA GLU A 45 -0.132 -11.233 -0.587 1.00 0.00 C ATOM 658 C GLU A 45 0.259 -10.159 0.429 1.00 0.00 C ATOM 659 O GLU A 45 1.223 -9.423 0.219 1.00 0.00 O ATOM 660 CB GLU A 45 -0.147 -12.620 0.059 1.00 0.00 C ATOM 661 CG GLU A 45 1.258 -13.033 0.503 1.00 0.00 C ATOM 662 CD GLU A 45 1.688 -14.334 -0.177 1.00 0.00 C ATOM 663 OE1 GLU A 45 1.717 -14.338 -1.427 1.00 0.00 O ATOM 664 OE2 GLU A 45 1.979 -15.295 0.568 1.00 0.00 O ATOM 0 H GLU A 45 1.720 -11.503 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.142 -11.021 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.818 -12.618 0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.538 -13.351 -0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.967 -12.241 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.278 -13.160 1.585 1.00 0.00 H new ATOM 671 N ASP A 46 -0.508 -10.102 1.507 1.00 0.00 N ATOM 672 CA ASP A 46 -0.253 -9.129 2.557 1.00 0.00 C ATOM 673 C ASP A 46 0.998 -9.541 3.335 1.00 0.00 C ATOM 674 O ASP A 46 1.501 -8.778 4.157 1.00 0.00 O ATOM 675 CB ASP A 46 -1.422 -9.062 3.541 1.00 0.00 C ATOM 676 CG ASP A 46 -2.358 -7.867 3.354 1.00 0.00 C ATOM 677 OD1 ASP A 46 -2.479 -7.417 2.194 1.00 0.00 O ATOM 678 OD2 ASP A 46 -2.930 -7.428 4.375 1.00 0.00 O ATOM 0 H ASP A 46 -1.307 -10.713 1.677 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.120 -8.154 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.005 -9.978 3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.023 -9.036 4.555 1.00 0.00 H new ATOM 683 N SER A 47 1.464 -10.748 3.048 1.00 0.00 N ATOM 684 CA SER A 47 2.646 -11.271 3.712 1.00 0.00 C ATOM 685 C SER A 47 3.878 -11.060 2.828 1.00 0.00 C ATOM 686 O SER A 47 5.009 -11.165 3.299 1.00 0.00 O ATOM 687 CB SER A 47 2.480 -12.755 4.045 1.00 0.00 C ATOM 688 OG SER A 47 3.469 -13.209 4.965 1.00 0.00 O ATOM 0 H SER A 47 1.044 -11.378 2.365 1.00 0.00 H new ATOM 0 HA SER A 47 2.780 -10.730 4.648 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.489 -12.924 4.466 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.541 -13.341 3.128 1.00 0.00 H new ATOM 0 HG SER A 47 4.306 -12.723 4.812 1.00 0.00 H new ATOM 694 N THR A 48 3.616 -10.765 1.563 1.00 0.00 N ATOM 695 CA THR A 48 4.689 -10.539 0.610 1.00 0.00 C ATOM 696 C THR A 48 5.406 -9.222 0.918 1.00 0.00 C ATOM 697 O THR A 48 4.784 -8.161 0.930 1.00 0.00 O ATOM 698 CB THR A 48 4.090 -10.590 -0.797 1.00 0.00 C ATOM 699 OG1 THR A 48 4.326 -11.929 -1.225 1.00 0.00 O ATOM 700 CG2 THR A 48 4.871 -9.736 -1.797 1.00 0.00 C ATOM 0 H THR A 48 2.676 -10.677 1.176 1.00 0.00 H new ATOM 0 HA THR A 48 5.452 -11.314 0.682 1.00 0.00 H new ATOM 0 HB THR A 48 3.054 -10.253 -0.764 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.968 -12.052 -2.129 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.404 -9.808 -2.779 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.868 -8.697 -1.469 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.899 -10.094 -1.857 1.00 0.00 H new ATOM 708 N ASP A 49 6.704 -9.335 1.158 1.00 0.00 N ATOM 709 CA ASP A 49 7.512 -8.167 1.464 1.00 0.00 C ATOM 710 C ASP A 49 8.143 -7.636 0.175 1.00 0.00 C ATOM 711 O ASP A 49 8.891 -8.348 -0.493 1.00 0.00 O ATOM 712 CB ASP A 49 8.642 -8.518 2.434 1.00 0.00 C ATOM 713 CG ASP A 49 9.016 -7.408 3.419 1.00 0.00 C ATOM 714 OD1 ASP A 49 9.882 -6.587 3.047 1.00 0.00 O ATOM 715 OD2 ASP A 49 8.429 -7.407 4.523 1.00 0.00 O ATOM 0 H ASP A 49 7.216 -10.217 1.147 1.00 0.00 H new ATOM 0 HA ASP A 49 6.864 -7.419 1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.353 -9.403 3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.527 -8.784 1.856 1.00 0.00 H new ATOM 720 N PHE A 50 7.818 -6.390 -0.135 1.00 0.00 N ATOM 721 CA PHE A 50 8.344 -5.755 -1.332 1.00 0.00 C ATOM 722 C PHE A 50 9.839 -6.037 -1.490 1.00 0.00 C ATOM 723 O PHE A 50 10.347 -6.105 -2.608 1.00 0.00 O ATOM 724 CB PHE A 50 8.135 -4.249 -1.169 1.00 0.00 C ATOM 725 CG PHE A 50 8.380 -3.444 -2.447 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.730 -3.776 -3.595 1.00 0.00 C ATOM 727 CD2 PHE A 50 9.248 -2.397 -2.435 1.00 0.00 C ATOM 728 CE1 PHE A 50 7.958 -3.029 -4.781 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.475 -1.650 -3.621 1.00 0.00 C ATOM 730 CZ PHE A 50 8.826 -1.982 -4.769 1.00 0.00 C ATOM 0 H PHE A 50 7.197 -5.803 0.422 1.00 0.00 H new ATOM 0 HA PHE A 50 7.833 -6.143 -2.214 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.115 -4.069 -0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.801 -3.883 -0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.041 -4.607 -3.604 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.764 -2.134 -1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.442 -3.292 -5.693 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.163 -0.818 -3.611 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.000 -1.414 -5.671 1.00 0.00 H new ATOM 740 N PHE A 51 10.503 -6.192 -0.354 1.00 0.00 N ATOM 741 CA PHE A 51 11.930 -6.465 -0.352 1.00 0.00 C ATOM 742 C PHE A 51 12.202 -7.964 -0.485 1.00 0.00 C ATOM 743 O PHE A 51 12.759 -8.411 -1.487 1.00 0.00 O ATOM 744 CB PHE A 51 12.476 -5.977 0.992 1.00 0.00 C ATOM 745 CG PHE A 51 12.309 -4.474 1.223 1.00 0.00 C ATOM 746 CD1 PHE A 51 12.698 -3.591 0.264 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.771 -4.020 2.387 1.00 0.00 C ATOM 748 CE1 PHE A 51 12.543 -2.196 0.478 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.616 -2.625 2.601 1.00 0.00 C ATOM 750 CZ PHE A 51 12.005 -1.742 1.642 1.00 0.00 C ATOM 0 H PHE A 51 10.079 -6.134 0.572 1.00 0.00 H new ATOM 0 HA PHE A 51 12.407 -5.961 -1.193 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.972 -6.516 1.794 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.535 -6.228 1.055 1.00 0.00 H new ATOM 0 HD1 PHE A 51 13.125 -3.951 -0.660 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.462 -4.721 3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.852 -1.495 -0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.189 -2.265 3.525 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.887 -0.681 1.805 1.00 0.00 H new ATOM 760 N LYS A 52 11.796 -8.701 0.539 1.00 0.00 N ATOM 761 CA LYS A 52 11.990 -10.141 0.548 1.00 0.00 C ATOM 762 C LYS A 52 11.708 -10.698 -0.848 1.00 0.00 C ATOM 763 O LYS A 52 12.297 -11.700 -1.251 1.00 0.00 O ATOM 764 CB LYS A 52 11.147 -10.787 1.650 1.00 0.00 C ATOM 765 CG LYS A 52 11.485 -10.194 3.019 1.00 0.00 C ATOM 766 CD LYS A 52 11.312 -11.235 4.126 1.00 0.00 C ATOM 767 CE LYS A 52 10.324 -10.748 5.188 1.00 0.00 C ATOM 768 NZ LYS A 52 10.237 -11.720 6.300 1.00 0.00 N ATOM 0 H LYS A 52 11.334 -8.328 1.368 1.00 0.00 H new ATOM 0 HA LYS A 52 13.026 -10.385 0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.088 -10.638 1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.322 -11.863 1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.512 -9.828 3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.841 -9.337 3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.957 -12.172 3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.277 -11.442 4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.641 -9.777 5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.340 -10.609 4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.562 -11.374 7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.914 -12.638 5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.174 -11.832 6.737 1.00 0.00 H new ATOM 782 N SER A 53 10.808 -10.024 -1.549 1.00 0.00 N ATOM 783 CA SER A 53 10.441 -10.439 -2.892 1.00 0.00 C ATOM 784 C SER A 53 11.653 -10.338 -3.821 1.00 0.00 C ATOM 785 O SER A 53 12.289 -11.345 -4.129 1.00 0.00 O ATOM 786 CB SER A 53 9.286 -9.595 -3.434 1.00 0.00 C ATOM 787 OG SER A 53 8.022 -10.049 -2.955 1.00 0.00 O ATOM 0 H SER A 53 10.322 -9.193 -1.212 1.00 0.00 H new ATOM 0 HA SER A 53 10.109 -11.476 -2.850 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.431 -8.554 -3.145 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.294 -9.627 -4.524 1.00 0.00 H new ATOM 0 HG SER A 53 7.879 -10.977 -3.237 1.00 0.00 H new ATOM 793 N GLY A 54 11.936 -9.114 -4.241 1.00 0.00 N ATOM 794 CA GLY A 54 13.060 -8.868 -5.128 1.00 0.00 C ATOM 795 C GLY A 54 13.026 -7.439 -5.673 1.00 0.00 C ATOM 796 O GLY A 54 13.315 -7.212 -6.847 1.00 0.00 O ATOM 0 H GLY A 54 11.406 -8.281 -3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.994 -9.034 -4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.037 -9.577 -5.955 1.00 0.00 H new ATOM 800 N ALA A 55 12.671 -6.513 -4.795 1.00 0.00 N ATOM 801 CA ALA A 55 12.595 -5.112 -5.173 1.00 0.00 C ATOM 802 C ALA A 55 13.924 -4.427 -4.845 1.00 0.00 C ATOM 803 O ALA A 55 14.440 -4.565 -3.737 1.00 0.00 O ATOM 804 CB ALA A 55 11.410 -4.455 -4.464 1.00 0.00 C ATOM 0 H ALA A 55 12.433 -6.705 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 55 12.428 -5.012 -6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.353 -3.404 -4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.488 -4.959 -4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.543 -4.533 -3.385 1.00 0.00 H new ATOM 810 N ALA A 56 14.439 -3.704 -5.828 1.00 0.00 N ATOM 811 CA ALA A 56 15.697 -2.997 -5.658 1.00 0.00 C ATOM 812 C ALA A 56 15.429 -1.637 -5.011 1.00 0.00 C ATOM 813 O ALA A 56 14.362 -1.416 -4.441 1.00 0.00 O ATOM 814 CB ALA A 56 16.399 -2.871 -7.011 1.00 0.00 C ATOM 0 H ALA A 56 14.008 -3.592 -6.746 1.00 0.00 H new ATOM 0 HA ALA A 56 16.362 -3.551 -4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.343 -2.341 -6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.593 -3.865 -7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.762 -2.318 -7.701 1.00 0.00 H new ATOM 820 N SER A 57 16.417 -0.761 -5.121 1.00 0.00 N ATOM 821 CA SER A 57 16.302 0.572 -4.554 1.00 0.00 C ATOM 822 C SER A 57 15.579 1.497 -5.534 1.00 0.00 C ATOM 823 O SER A 57 15.210 2.617 -5.181 1.00 0.00 O ATOM 824 CB SER A 57 17.677 1.142 -4.202 1.00 0.00 C ATOM 825 OG SER A 57 18.122 0.709 -2.919 1.00 0.00 O ATOM 0 H SER A 57 17.301 -0.948 -5.594 1.00 0.00 H new ATOM 0 HA SER A 57 15.722 0.503 -3.634 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.400 0.837 -4.958 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.634 2.231 -4.222 1.00 0.00 H new ATOM 0 HG SER A 57 19.004 1.093 -2.732 1.00 0.00 H new ATOM 831 N VAL A 58 15.397 0.996 -6.747 1.00 0.00 N ATOM 832 CA VAL A 58 14.725 1.764 -7.782 1.00 0.00 C ATOM 833 C VAL A 58 13.225 1.461 -7.742 1.00 0.00 C ATOM 834 O VAL A 58 12.403 2.360 -7.908 1.00 0.00 O ATOM 835 CB VAL A 58 15.358 1.473 -9.144 1.00 0.00 C ATOM 836 CG1 VAL A 58 16.879 1.354 -9.028 1.00 0.00 C ATOM 837 CG2 VAL A 58 14.755 0.214 -9.771 1.00 0.00 C ATOM 0 H VAL A 58 15.703 0.067 -7.037 1.00 0.00 H new ATOM 0 HA VAL A 58 14.846 2.833 -7.605 1.00 0.00 H new ATOM 0 HB VAL A 58 15.138 2.313 -9.802 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.304 1.147 -10.010 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.289 2.289 -8.645 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.129 0.541 -8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.222 0.030 -10.738 1.00 0.00 H new ATOM 0 HG22 VAL A 58 14.930 -0.639 -9.115 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.682 0.353 -9.907 1.00 0.00 H new ATOM 847 N ASP A 59 12.916 0.192 -7.522 1.00 0.00 N ATOM 848 CA ASP A 59 11.530 -0.241 -7.459 1.00 0.00 C ATOM 849 C ASP A 59 10.783 0.607 -6.428 1.00 0.00 C ATOM 850 O ASP A 59 9.604 0.910 -6.605 1.00 0.00 O ATOM 851 CB ASP A 59 11.429 -1.705 -7.029 1.00 0.00 C ATOM 852 CG ASP A 59 12.195 -2.693 -7.912 1.00 0.00 C ATOM 853 OD1 ASP A 59 13.353 -2.370 -8.253 1.00 0.00 O ATOM 854 OD2 ASP A 59 11.604 -3.749 -8.226 1.00 0.00 O ATOM 0 H ASP A 59 13.602 -0.551 -7.385 1.00 0.00 H new ATOM 0 HA ASP A 59 11.095 -0.127 -8.452 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.797 -1.794 -6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.378 -1.992 -7.016 1.00 0.00 H new ATOM 859 N VAL A 60 11.499 0.966 -5.373 1.00 0.00 N ATOM 860 CA VAL A 60 10.918 1.774 -4.313 1.00 0.00 C ATOM 861 C VAL A 60 10.300 3.035 -4.920 1.00 0.00 C ATOM 862 O VAL A 60 9.150 3.365 -4.636 1.00 0.00 O ATOM 863 CB VAL A 60 11.973 2.077 -3.248 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.424 3.037 -2.190 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.489 0.789 -2.604 1.00 0.00 C ATOM 0 H VAL A 60 12.476 0.712 -5.229 1.00 0.00 H new ATOM 0 HA VAL A 60 10.118 1.229 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 60 12.814 2.565 -3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.194 3.236 -1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.129 3.972 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.557 2.587 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.238 1.034 -1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.660 0.260 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.937 0.154 -3.368 1.00 0.00 H new ATOM 875 N VAL A 61 11.092 3.706 -5.743 1.00 0.00 N ATOM 876 CA VAL A 61 10.638 4.924 -6.392 1.00 0.00 C ATOM 877 C VAL A 61 9.597 4.572 -7.456 1.00 0.00 C ATOM 878 O VAL A 61 8.665 5.338 -7.696 1.00 0.00 O ATOM 879 CB VAL A 61 11.833 5.694 -6.956 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.395 7.040 -7.536 1.00 0.00 C ATOM 881 CG2 VAL A 61 12.916 5.882 -5.892 1.00 0.00 C ATOM 0 H VAL A 61 12.046 3.429 -5.975 1.00 0.00 H new ATOM 0 HA VAL A 61 10.155 5.584 -5.671 1.00 0.00 H new ATOM 0 HB VAL A 61 12.259 5.103 -7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.264 7.567 -7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.677 6.874 -8.339 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.931 7.640 -6.753 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.754 6.432 -6.319 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.506 6.441 -5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.260 4.907 -5.547 1.00 0.00 H new ATOM 891 N ARG A 62 9.791 3.412 -8.067 1.00 0.00 N ATOM 892 CA ARG A 62 8.881 2.949 -9.101 1.00 0.00 C ATOM 893 C ARG A 62 7.488 2.710 -8.513 1.00 0.00 C ATOM 894 O ARG A 62 6.518 3.340 -8.931 1.00 0.00 O ATOM 895 CB ARG A 62 9.386 1.655 -9.740 1.00 0.00 C ATOM 896 CG ARG A 62 9.152 1.662 -11.252 1.00 0.00 C ATOM 897 CD ARG A 62 9.843 0.472 -11.920 1.00 0.00 C ATOM 898 NE ARG A 62 8.985 -0.073 -12.996 1.00 0.00 N ATOM 899 CZ ARG A 62 9.372 -1.026 -13.855 1.00 0.00 C ATOM 900 NH1 ARG A 62 10.604 -1.546 -13.769 1.00 0.00 N ATOM 901 NH2 ARG A 62 8.526 -1.460 -14.799 1.00 0.00 N ATOM 0 H ARG A 62 10.565 2.779 -7.866 1.00 0.00 H new ATOM 0 HA ARG A 62 8.828 3.722 -9.867 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.449 1.534 -9.534 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.876 0.802 -9.293 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.082 1.628 -11.458 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.529 2.592 -11.678 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.803 0.783 -12.332 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.049 -0.302 -11.180 1.00 0.00 H new ATOM 0 HE ARG A 62 8.040 0.300 -13.089 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.248 -1.216 -13.050 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.898 -2.271 -14.423 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.588 -1.065 -14.864 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.820 -2.185 -15.453 1.00 0.00 H new ATOM 915 N LEU A 63 7.435 1.798 -7.553 1.00 0.00 N ATOM 916 CA LEU A 63 6.177 1.468 -6.904 1.00 0.00 C ATOM 917 C LEU A 63 5.479 2.758 -6.467 1.00 0.00 C ATOM 918 O LEU A 63 4.279 2.922 -6.682 1.00 0.00 O ATOM 919 CB LEU A 63 6.408 0.477 -5.762 1.00 0.00 C ATOM 920 CG LEU A 63 5.429 0.564 -4.590 1.00 0.00 C ATOM 921 CD1 LEU A 63 4.001 0.256 -5.044 1.00 0.00 C ATOM 922 CD2 LEU A 63 5.871 -0.340 -3.437 1.00 0.00 C ATOM 0 H LEU A 63 8.242 1.278 -7.209 1.00 0.00 H new ATOM 0 HA LEU A 63 5.509 0.965 -7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.367 -0.533 -6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.417 0.625 -5.378 1.00 0.00 H new ATOM 0 HG LEU A 63 5.435 1.588 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.325 0.325 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.698 0.975 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.960 -0.751 -5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.157 -0.259 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.913 -1.374 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.858 -0.032 -3.091 1.00 0.00 H new ATOM 934 N VAL A 64 6.261 3.640 -5.863 1.00 0.00 N ATOM 935 CA VAL A 64 5.734 4.910 -5.394 1.00 0.00 C ATOM 936 C VAL A 64 5.259 5.734 -6.593 1.00 0.00 C ATOM 937 O VAL A 64 4.171 6.308 -6.564 1.00 0.00 O ATOM 938 CB VAL A 64 6.785 5.634 -4.550 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.229 6.944 -3.988 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.303 4.732 -3.428 1.00 0.00 C ATOM 0 H VAL A 64 7.256 3.500 -5.687 1.00 0.00 H new ATOM 0 HA VAL A 64 4.872 4.750 -4.747 1.00 0.00 H new ATOM 0 HB VAL A 64 7.626 5.878 -5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.996 7.439 -3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.932 7.595 -4.810 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.363 6.732 -3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.049 5.271 -2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.474 4.443 -2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.756 3.839 -3.859 1.00 0.00 H new ATOM 950 N GLU A 65 6.097 5.765 -7.618 1.00 0.00 N ATOM 951 CA GLU A 65 5.776 6.509 -8.824 1.00 0.00 C ATOM 952 C GLU A 65 4.531 5.923 -9.494 1.00 0.00 C ATOM 953 O GLU A 65 3.671 6.663 -9.969 1.00 0.00 O ATOM 954 CB GLU A 65 6.962 6.525 -9.791 1.00 0.00 C ATOM 955 CG GLU A 65 8.004 7.561 -9.364 1.00 0.00 C ATOM 956 CD GLU A 65 7.913 8.819 -10.230 1.00 0.00 C ATOM 957 OE1 GLU A 65 7.974 8.660 -11.468 1.00 0.00 O ATOM 958 OE2 GLU A 65 7.784 9.910 -9.634 1.00 0.00 O ATOM 0 H GLU A 65 6.998 5.287 -7.639 1.00 0.00 H new ATOM 0 HA GLU A 65 5.563 7.541 -8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.420 5.537 -9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.612 6.750 -10.798 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.853 7.824 -8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.003 7.132 -9.444 1.00 0.00 H new ATOM 965 N GLU A 66 4.475 4.600 -9.510 1.00 0.00 N ATOM 966 CA GLU A 66 3.349 3.906 -10.114 1.00 0.00 C ATOM 967 C GLU A 66 2.053 4.262 -9.383 1.00 0.00 C ATOM 968 O GLU A 66 1.105 4.752 -9.996 1.00 0.00 O ATOM 969 CB GLU A 66 3.577 2.393 -10.120 1.00 0.00 C ATOM 970 CG GLU A 66 4.648 2.005 -11.142 1.00 0.00 C ATOM 971 CD GLU A 66 4.226 0.765 -11.934 1.00 0.00 C ATOM 972 OE1 GLU A 66 3.059 0.749 -12.383 1.00 0.00 O ATOM 973 OE2 GLU A 66 5.079 -0.137 -12.072 1.00 0.00 O ATOM 0 H GLU A 66 5.190 3.990 -9.115 1.00 0.00 H new ATOM 0 HA GLU A 66 3.260 4.231 -11.151 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.881 2.063 -9.126 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.643 1.882 -10.354 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.822 2.836 -11.826 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.591 1.811 -10.630 1.00 0.00 H new ATOM 980 N VAL A 67 2.052 4.002 -8.084 1.00 0.00 N ATOM 981 CA VAL A 67 0.888 4.289 -7.264 1.00 0.00 C ATOM 982 C VAL A 67 0.548 5.777 -7.371 1.00 0.00 C ATOM 983 O VAL A 67 -0.587 6.178 -7.120 1.00 0.00 O ATOM 984 CB VAL A 67 1.137 3.835 -5.824 1.00 0.00 C ATOM 985 CG1 VAL A 67 -0.068 4.148 -4.934 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.485 2.346 -5.772 1.00 0.00 C ATOM 0 H VAL A 67 2.839 3.595 -7.579 1.00 0.00 H new ATOM 0 HA VAL A 67 0.023 3.731 -7.622 1.00 0.00 H new ATOM 0 HB VAL A 67 1.991 4.393 -5.439 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.135 3.815 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.251 5.222 -4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.947 3.630 -5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.657 2.049 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.660 1.765 -6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.386 2.162 -6.357 1.00 0.00 H new ATOM 996 N LYS A 68 1.554 6.556 -7.742 1.00 0.00 N ATOM 997 CA LYS A 68 1.376 7.991 -7.885 1.00 0.00 C ATOM 998 C LYS A 68 0.371 8.267 -9.005 1.00 0.00 C ATOM 999 O LYS A 68 -0.509 9.114 -8.860 1.00 0.00 O ATOM 1000 CB LYS A 68 2.727 8.680 -8.088 1.00 0.00 C ATOM 1001 CG LYS A 68 3.050 9.609 -6.915 1.00 0.00 C ATOM 1002 CD LYS A 68 4.385 9.233 -6.270 1.00 0.00 C ATOM 1003 CE LYS A 68 5.135 10.479 -5.796 1.00 0.00 C ATOM 1004 NZ LYS A 68 6.429 10.104 -5.184 1.00 0.00 N ATOM 0 H LYS A 68 2.495 6.220 -7.948 1.00 0.00 H new ATOM 0 HA LYS A 68 0.961 8.416 -6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.511 7.929 -8.189 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.712 9.252 -9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.088 10.641 -7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.254 9.553 -6.172 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.210 8.566 -5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.998 8.686 -6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.305 11.150 -6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.528 11.023 -5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.085 10.909 -5.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.280 9.846 -4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.833 9.293 -5.695 1.00 0.00 H new ATOM 1018 N GLU A 69 0.535 7.535 -10.098 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.347 7.691 -11.242 1.00 0.00 C ATOM 1020 C GLU A 69 -1.747 7.172 -10.907 1.00 0.00 C ATOM 1021 O GLU A 69 -2.729 7.583 -11.524 1.00 0.00 O ATOM 1022 CB GLU A 69 0.221 6.981 -12.472 1.00 0.00 C ATOM 1023 CG GLU A 69 1.689 7.351 -12.690 1.00 0.00 C ATOM 1024 CD GLU A 69 1.868 8.148 -13.984 1.00 0.00 C ATOM 1025 OE1 GLU A 69 1.714 7.527 -15.059 1.00 0.00 O ATOM 1026 OE2 GLU A 69 2.153 9.360 -13.870 1.00 0.00 O ATOM 0 H GLU A 69 1.265 6.833 -10.215 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.421 8.753 -11.478 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.129 5.902 -12.348 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.361 7.252 -13.353 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.049 7.938 -11.845 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.294 6.445 -12.730 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.794 6.277 -9.931 1.00 0.00 N ATOM 1034 CA LEU A 70 -3.057 5.698 -9.507 1.00 0.00 C ATOM 1035 C LEU A 70 -3.933 6.791 -8.891 1.00 0.00 C ATOM 1036 O LEU A 70 -5.099 6.937 -9.256 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.816 4.507 -8.577 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.514 3.173 -9.262 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.327 2.058 -8.231 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.592 2.828 -10.291 1.00 0.00 C ATOM 0 H LEU A 70 -0.977 5.939 -9.422 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.599 5.299 -10.364 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.984 4.750 -7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.697 4.379 -7.948 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.573 3.272 -9.804 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.113 1.120 -8.744 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.496 2.308 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.238 1.950 -7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.353 1.875 -10.763 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.559 2.754 -9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.633 3.609 -11.050 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.338 7.532 -7.968 1.00 0.00 N ATOM 1053 CA CYS A 71 -4.049 8.607 -7.298 1.00 0.00 C ATOM 1054 C CYS A 71 -3.732 9.917 -8.022 1.00 0.00 C ATOM 1055 O CYS A 71 -4.230 10.976 -7.644 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.697 8.678 -5.810 1.00 0.00 C ATOM 1057 SG CYS A 71 -5.116 9.339 -4.862 1.00 0.00 S ATOM 0 H CYS A 71 -2.371 7.409 -7.668 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.122 8.419 -7.342 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.434 7.686 -5.442 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.824 9.314 -5.664 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.807 9.393 -3.600 1.00 0.00 H new ATOM 1063 N ASP A 72 -2.903 9.803 -9.050 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.514 10.965 -9.830 1.00 0.00 C ATOM 1065 C ASP A 72 -1.781 11.958 -8.926 1.00 0.00 C ATOM 1066 O ASP A 72 -2.313 13.019 -8.603 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.738 11.672 -10.414 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.439 12.975 -11.158 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -3.438 14.027 -10.483 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -3.218 12.889 -12.386 1.00 0.00 O ATOM 0 H ASP A 72 -2.490 8.923 -9.360 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.872 10.626 -10.643 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.242 10.989 -11.097 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.436 11.885 -9.605 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.570 11.579 -8.543 1.00 0.00 N ATOM 1076 CA GLY A 73 0.241 12.424 -7.683 1.00 0.00 C ATOM 1077 C GLY A 73 0.042 12.058 -6.210 1.00 0.00 C ATOM 1078 O GLY A 73 -0.040 12.937 -5.354 1.00 0.00 O ATOM 0 H GLY A 73 -0.131 10.698 -8.812 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.293 12.317 -7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.023 13.470 -7.841 1.00 0.00 H new ATOM 1082 N LEU A 74 -0.028 10.759 -5.961 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.216 10.266 -4.607 1.00 0.00 C ATOM 1084 C LEU A 74 0.900 10.810 -3.712 1.00 0.00 C ATOM 1085 O LEU A 74 2.050 10.906 -4.137 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.319 8.739 -4.602 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.545 8.087 -3.237 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -1.845 8.583 -2.601 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.506 6.561 -3.345 1.00 0.00 C ATOM 0 H LEU A 74 0.042 10.033 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.159 10.627 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.136 8.448 -5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.597 8.331 -5.030 1.00 0.00 H new ATOM 0 HG LEU A 74 0.270 8.384 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.982 8.104 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.796 9.664 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.685 8.335 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.669 6.122 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.287 6.224 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.466 6.248 -3.725 1.00 0.00 H new ATOM 1101 N GLU A 75 0.520 11.151 -2.489 1.00 0.00 N ATOM 1102 CA GLU A 75 1.473 11.683 -1.531 1.00 0.00 C ATOM 1103 C GLU A 75 2.273 10.546 -0.890 1.00 0.00 C ATOM 1104 O GLU A 75 2.243 10.370 0.327 1.00 0.00 O ATOM 1105 CB GLU A 75 0.768 12.525 -0.465 1.00 0.00 C ATOM 1106 CG GLU A 75 -0.303 11.708 0.259 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.750 12.407 1.544 1.00 0.00 C ATOM 1108 OE1 GLU A 75 0.008 12.316 2.534 1.00 0.00 O ATOM 1109 OE2 GLU A 75 -1.841 13.017 1.508 1.00 0.00 O ATOM 0 H GLU A 75 -0.435 11.069 -2.140 1.00 0.00 H new ATOM 0 HA GLU A 75 2.166 12.335 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.499 12.892 0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.311 13.399 -0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.161 11.563 -0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.088 10.718 0.496 1.00 0.00 H new ATOM 1116 N LEU A 76 2.969 9.804 -1.739 1.00 0.00 N ATOM 1117 CA LEU A 76 3.775 8.689 -1.271 1.00 0.00 C ATOM 1118 C LEU A 76 5.254 9.077 -1.324 1.00 0.00 C ATOM 1119 O LEU A 76 5.664 9.858 -2.181 1.00 0.00 O ATOM 1120 CB LEU A 76 3.443 7.420 -2.060 1.00 0.00 C ATOM 1121 CG LEU A 76 3.686 6.096 -1.332 1.00 0.00 C ATOM 1122 CD1 LEU A 76 2.593 5.833 -0.295 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.822 4.942 -2.327 1.00 0.00 C ATOM 0 H LEU A 76 2.991 9.953 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 76 3.542 8.460 -0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.394 7.463 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.032 7.421 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 76 4.630 6.170 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.789 4.886 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.586 6.639 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.624 5.786 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.994 4.012 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.906 4.856 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.662 5.134 -2.994 1.00 0.00 H new ATOM 1135 N GLU A 77 6.014 8.514 -0.396 1.00 0.00 N ATOM 1136 CA GLU A 77 7.438 8.791 -0.326 1.00 0.00 C ATOM 1137 C GLU A 77 8.223 7.493 -0.126 1.00 0.00 C ATOM 1138 O GLU A 77 7.701 6.528 0.431 1.00 0.00 O ATOM 1139 CB GLU A 77 7.747 9.796 0.786 1.00 0.00 C ATOM 1140 CG GLU A 77 6.657 9.778 1.859 1.00 0.00 C ATOM 1141 CD GLU A 77 6.991 10.747 2.995 1.00 0.00 C ATOM 1142 OE1 GLU A 77 6.594 11.925 2.871 1.00 0.00 O ATOM 1143 OE2 GLU A 77 7.636 10.287 3.962 1.00 0.00 O ATOM 0 H GLU A 77 5.670 7.867 0.314 1.00 0.00 H new ATOM 0 HA GLU A 77 7.748 9.237 -1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.711 9.560 1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.830 10.797 0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.699 10.049 1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.550 8.769 2.257 1.00 0.00 H new ATOM 1150 N ASN A 78 9.463 7.510 -0.590 1.00 0.00 N ATOM 1151 CA ASN A 78 10.324 6.346 -0.469 1.00 0.00 C ATOM 1152 C ASN A 78 10.213 5.781 0.948 1.00 0.00 C ATOM 1153 O ASN A 78 10.347 4.575 1.151 1.00 0.00 O ATOM 1154 CB ASN A 78 11.788 6.716 -0.716 1.00 0.00 C ATOM 1155 CG ASN A 78 11.982 7.274 -2.128 1.00 0.00 C ATOM 1156 OD1 ASN A 78 12.094 6.546 -3.101 1.00 0.00 O ATOM 1157 ND2 ASN A 78 12.014 8.602 -2.185 1.00 0.00 N ATOM 0 H ASN A 78 9.893 8.312 -1.051 1.00 0.00 H new ATOM 0 HA ASN A 78 10.007 5.613 -1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.109 7.455 0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.417 5.837 -0.579 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.138 9.071 -3.082 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.914 9.152 -1.332 1.00 0.00 H new ATOM 1164 N GLU A 79 9.969 6.678 1.892 1.00 0.00 N ATOM 1165 CA GLU A 79 9.838 6.283 3.284 1.00 0.00 C ATOM 1166 C GLU A 79 8.679 5.298 3.450 1.00 0.00 C ATOM 1167 O GLU A 79 8.845 4.233 4.042 1.00 0.00 O ATOM 1168 CB GLU A 79 9.652 7.505 4.185 1.00 0.00 C ATOM 1169 CG GLU A 79 10.924 7.798 4.982 1.00 0.00 C ATOM 1170 CD GLU A 79 10.591 8.188 6.424 1.00 0.00 C ATOM 1171 OE1 GLU A 79 9.591 8.917 6.598 1.00 0.00 O ATOM 1172 OE2 GLU A 79 11.344 7.748 7.319 1.00 0.00 O ATOM 0 H GLU A 79 9.859 7.677 1.720 1.00 0.00 H new ATOM 0 HA GLU A 79 10.759 5.785 3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.391 8.372 3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.821 7.333 4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.570 6.920 4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.480 8.604 4.503 1.00 0.00 H new ATOM 1179 N ASP A 80 7.531 5.689 2.915 1.00 0.00 N ATOM 1180 CA ASP A 80 6.345 4.853 2.997 1.00 0.00 C ATOM 1181 C ASP A 80 6.719 3.410 2.650 1.00 0.00 C ATOM 1182 O ASP A 80 6.384 2.485 3.388 1.00 0.00 O ATOM 1183 CB ASP A 80 5.277 5.316 2.005 1.00 0.00 C ATOM 1184 CG ASP A 80 4.600 6.643 2.355 1.00 0.00 C ATOM 1185 OD1 ASP A 80 4.174 6.772 3.523 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.525 7.499 1.447 1.00 0.00 O ATOM 0 H ASP A 80 7.397 6.573 2.424 1.00 0.00 H new ATOM 0 HA ASP A 80 5.951 4.924 4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.733 5.407 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.512 4.543 1.932 1.00 0.00 H new ATOM 1191 N VAL A 81 7.407 3.264 1.528 1.00 0.00 N ATOM 1192 CA VAL A 81 7.829 1.950 1.075 1.00 0.00 C ATOM 1193 C VAL A 81 8.680 1.289 2.161 1.00 0.00 C ATOM 1194 O VAL A 81 8.511 0.106 2.452 1.00 0.00 O ATOM 1195 CB VAL A 81 8.558 2.067 -0.266 1.00 0.00 C ATOM 1196 CG1 VAL A 81 8.942 0.687 -0.804 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.714 2.837 -1.283 1.00 0.00 C ATOM 0 H VAL A 81 7.683 4.034 0.919 1.00 0.00 H new ATOM 0 HA VAL A 81 6.964 1.310 0.905 1.00 0.00 H new ATOM 0 HB VAL A 81 9.477 2.629 -0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.458 0.799 -1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.599 0.189 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.042 0.089 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.255 2.906 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.771 2.315 -1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.514 3.840 -0.905 1.00 0.00 H new ATOM 1207 N TYR A 82 9.574 2.082 2.732 1.00 0.00 N ATOM 1208 CA TYR A 82 10.451 1.589 3.780 1.00 0.00 C ATOM 1209 C TYR A 82 9.663 1.283 5.055 1.00 0.00 C ATOM 1210 O TYR A 82 10.054 0.419 5.839 1.00 0.00 O ATOM 1211 CB TYR A 82 11.442 2.719 4.067 1.00 0.00 C ATOM 1212 CG TYR A 82 12.217 3.194 2.836 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.257 2.410 1.701 1.00 0.00 C ATOM 1214 CD2 TYR A 82 12.876 4.406 2.861 1.00 0.00 C ATOM 1215 CE1 TYR A 82 12.986 2.857 0.543 1.00 0.00 C ATOM 1216 CE2 TYR A 82 13.605 4.854 1.703 1.00 0.00 C ATOM 1217 CZ TYR A 82 13.624 4.057 0.601 1.00 0.00 C ATOM 1218 OH TYR A 82 14.313 4.479 -0.494 1.00 0.00 O ATOM 0 H TYR A 82 9.710 3.063 2.489 1.00 0.00 H new ATOM 0 HA TYR A 82 10.945 0.669 3.466 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.900 3.564 4.491 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.152 2.383 4.823 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.741 1.461 1.682 1.00 0.00 H new ATOM 0 HD2 TYR A 82 12.845 5.019 3.750 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.026 2.253 -0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.125 5.801 1.709 1.00 0.00 H new ATOM 0 HH TYR A 82 14.717 5.353 -0.310 1.00 0.00 H new ATOM 1228 N MET A 83 8.567 2.008 5.224 1.00 0.00 N ATOM 1229 CA MET A 83 7.720 1.825 6.391 1.00 0.00 C ATOM 1230 C MET A 83 6.867 0.562 6.256 1.00 0.00 C ATOM 1231 O MET A 83 6.758 -0.221 7.198 1.00 0.00 O ATOM 1232 CB MET A 83 6.808 3.042 6.556 1.00 0.00 C ATOM 1233 CG MET A 83 7.619 4.339 6.557 1.00 0.00 C ATOM 1234 SD MET A 83 7.591 5.075 8.183 1.00 0.00 S ATOM 1235 CE MET A 83 9.234 4.658 8.741 1.00 0.00 C ATOM 0 H MET A 83 8.246 2.724 4.572 1.00 0.00 H new ATOM 0 HA MET A 83 8.359 1.718 7.268 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.078 3.066 5.747 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.249 2.958 7.488 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.647 4.135 6.259 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.208 5.035 5.826 1.00 0.00 H new ATOM 0 HE1 MET A 83 9.385 5.046 9.748 1.00 0.00 H new ATOM 0 HE2 MET A 83 9.352 3.574 8.748 1.00 0.00 H new ATOM 0 HE3 MET A 83 9.970 5.099 8.068 1.00 0.00 H new ATOM 1245 N ALA A 84 6.285 0.403 5.077 1.00 0.00 N ATOM 1246 CA ALA A 84 5.445 -0.752 4.807 1.00 0.00 C ATOM 1247 C ALA A 84 6.028 -1.537 3.630 1.00 0.00 C ATOM 1248 O ALA A 84 5.666 -1.297 2.479 1.00 0.00 O ATOM 1249 CB ALA A 84 4.010 -0.290 4.546 1.00 0.00 C ATOM 0 H ALA A 84 6.378 1.054 4.298 1.00 0.00 H new ATOM 0 HA ALA A 84 5.421 -1.419 5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.380 -1.156 4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.632 0.237 5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.994 0.379 3.686 1.00 0.00 H new ATOM 1255 N SER A 85 6.920 -2.459 3.959 1.00 0.00 N ATOM 1256 CA SER A 85 7.557 -3.281 2.944 1.00 0.00 C ATOM 1257 C SER A 85 6.562 -4.311 2.405 1.00 0.00 C ATOM 1258 O SER A 85 6.626 -4.689 1.237 1.00 0.00 O ATOM 1259 CB SER A 85 8.797 -3.982 3.501 1.00 0.00 C ATOM 1260 OG SER A 85 8.464 -4.945 4.498 1.00 0.00 O ATOM 0 H SER A 85 7.217 -2.655 4.915 1.00 0.00 H new ATOM 0 HA SER A 85 7.876 -2.632 2.129 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.332 -4.472 2.688 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.473 -3.240 3.925 1.00 0.00 H new ATOM 0 HG SER A 85 9.279 -5.232 4.961 1.00 0.00 H new ATOM 1266 N THR A 86 5.665 -4.736 3.283 1.00 0.00 N ATOM 1267 CA THR A 86 4.658 -5.715 2.910 1.00 0.00 C ATOM 1268 C THR A 86 3.421 -5.017 2.341 1.00 0.00 C ATOM 1269 O THR A 86 2.993 -3.986 2.856 1.00 0.00 O ATOM 1270 CB THR A 86 4.358 -6.576 4.139 1.00 0.00 C ATOM 1271 OG1 THR A 86 3.919 -5.640 5.120 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.621 -7.188 4.747 1.00 0.00 C ATOM 0 H THR A 86 5.615 -4.420 4.252 1.00 0.00 H new ATOM 0 HA THR A 86 5.018 -6.370 2.116 1.00 0.00 H new ATOM 0 HB THR A 86 3.665 -7.371 3.865 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.701 -6.114 5.950 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.352 -7.789 5.616 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.112 -7.820 4.007 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.300 -6.392 5.053 1.00 0.00 H new ATOM 1280 N PHE A 87 2.882 -5.608 1.284 1.00 0.00 N ATOM 1281 CA PHE A 87 1.704 -5.056 0.638 1.00 0.00 C ATOM 1282 C PHE A 87 0.620 -4.725 1.667 1.00 0.00 C ATOM 1283 O PHE A 87 0.051 -3.634 1.645 1.00 0.00 O ATOM 1284 CB PHE A 87 1.174 -6.127 -0.316 1.00 0.00 C ATOM 1285 CG PHE A 87 0.131 -5.613 -1.312 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.487 -4.707 -2.261 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -1.150 -6.063 -1.247 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.480 -4.230 -3.185 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.118 -5.586 -2.171 1.00 0.00 C ATOM 1290 CZ PHE A 87 -1.762 -4.679 -3.120 1.00 0.00 C ATOM 0 H PHE A 87 3.240 -6.464 0.859 1.00 0.00 H new ATOM 0 HA PHE A 87 1.963 -4.136 0.113 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.011 -6.552 -0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.735 -6.935 0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.505 -4.350 -2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.432 -6.783 -0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.197 -3.511 -3.939 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.136 -5.943 -2.120 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.498 -4.315 -3.822 1.00 0.00 H new ATOM 1300 N GLY A 88 0.367 -5.686 2.543 1.00 0.00 N ATOM 1301 CA GLY A 88 -0.638 -5.510 3.577 1.00 0.00 C ATOM 1302 C GLY A 88 -0.461 -4.168 4.291 1.00 0.00 C ATOM 1303 O GLY A 88 -1.329 -3.301 4.214 1.00 0.00 O ATOM 0 H GLY A 88 0.841 -6.589 2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.633 -5.562 3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.567 -6.323 4.300 1.00 0.00 H new ATOM 1307 N ASP A 89 0.669 -4.041 4.971 1.00 0.00 N ATOM 1308 CA ASP A 89 0.971 -2.820 5.698 1.00 0.00 C ATOM 1309 C ASP A 89 0.877 -1.627 4.745 1.00 0.00 C ATOM 1310 O ASP A 89 0.285 -0.603 5.083 1.00 0.00 O ATOM 1311 CB ASP A 89 2.389 -2.856 6.271 1.00 0.00 C ATOM 1312 CG ASP A 89 2.582 -2.071 7.570 1.00 0.00 C ATOM 1313 OD1 ASP A 89 1.913 -1.023 7.704 1.00 0.00 O ATOM 1314 OD2 ASP A 89 3.395 -2.535 8.399 1.00 0.00 O ATOM 0 H ASP A 89 1.386 -4.763 5.034 1.00 0.00 H new ATOM 0 HA ASP A 89 0.254 -2.728 6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.667 -3.895 6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.077 -2.465 5.522 1.00 0.00 H new ATOM 1319 N PHE A 90 1.469 -1.799 3.573 1.00 0.00 N ATOM 1320 CA PHE A 90 1.459 -0.749 2.568 1.00 0.00 C ATOM 1321 C PHE A 90 0.029 -0.312 2.245 1.00 0.00 C ATOM 1322 O PHE A 90 -0.327 0.850 2.437 1.00 0.00 O ATOM 1323 CB PHE A 90 2.100 -1.331 1.307 1.00 0.00 C ATOM 1324 CG PHE A 90 2.301 -0.311 0.184 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.372 0.527 0.211 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.410 -0.243 -0.841 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.559 1.473 -0.831 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.597 0.704 -1.883 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.668 1.542 -1.856 1.00 0.00 C ATOM 0 H PHE A 90 1.959 -2.650 3.296 1.00 0.00 H new ATOM 0 HA PHE A 90 2.002 0.122 2.935 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.066 -1.763 1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.477 -2.145 0.937 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.080 0.473 1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.560 -0.909 -0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.409 2.138 -0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.889 0.759 -2.697 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.811 2.262 -2.648 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.752 -1.267 1.761 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.135 -0.995 1.410 1.00 0.00 C ATOM 1341 C ILE A 91 -2.761 -0.096 2.478 1.00 0.00 C ATOM 1342 O ILE A 91 -3.276 0.977 2.167 1.00 0.00 O ATOM 1343 CB ILE A 91 -2.897 -2.303 1.183 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.408 -3.009 -0.083 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.407 -2.060 1.157 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.667 -2.152 -1.324 1.00 0.00 C ATOM 0 H ILE A 91 -0.453 -2.229 1.604 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.189 -0.453 0.466 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.693 -2.968 2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.342 -3.219 0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.914 -3.969 -0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.925 -3.005 0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.723 -1.632 2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.651 -1.369 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.310 -2.677 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.736 -1.964 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.139 -1.203 -1.227 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.696 -0.567 3.714 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.250 0.181 4.830 1.00 0.00 C ATOM 1360 C GLN A 92 -2.792 1.640 4.771 1.00 0.00 C ATOM 1361 O GLN A 92 -3.591 2.554 4.968 1.00 0.00 O ATOM 1362 CB GLN A 92 -2.866 -0.461 6.165 1.00 0.00 C ATOM 1363 CG GLN A 92 -3.883 -1.529 6.572 1.00 0.00 C ATOM 1364 CD GLN A 92 -4.392 -2.296 5.349 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -5.693 -2.144 5.119 1.00 0.00 O flip ATOM 1366 NE2 GLN A 92 -3.652 -2.979 4.661 1.00 0.00 N flip ATOM 0 H GLN A 92 -2.268 -1.457 3.968 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.337 0.159 4.753 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.875 -0.909 6.086 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.809 0.305 6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.425 -2.223 7.276 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.722 -1.060 7.087 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.662 -3.052 4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -4.023 -3.477 3.852 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.506 1.812 4.500 1.00 0.00 N ATOM 1376 CA LEU A 93 -0.932 3.144 4.413 1.00 0.00 C ATOM 1377 C LEU A 93 -1.499 3.860 3.185 1.00 0.00 C ATOM 1378 O LEU A 93 -1.904 5.019 3.270 1.00 0.00 O ATOM 1379 CB LEU A 93 0.596 3.071 4.430 1.00 0.00 C ATOM 1380 CG LEU A 93 1.327 4.111 3.579 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.560 4.648 4.310 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.679 3.545 2.202 1.00 0.00 C ATOM 0 H LEU A 93 -0.846 1.051 4.338 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.210 3.736 5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.933 3.173 5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.896 2.079 4.093 1.00 0.00 H new ATOM 0 HG LEU A 93 0.655 4.954 3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.062 5.386 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.253 5.115 5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.244 3.826 4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.198 4.305 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.325 2.675 2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.765 3.251 1.685 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.511 3.140 2.073 1.00 0.00 N ATOM 1395 CA LEU A 94 -2.022 3.692 0.830 1.00 0.00 C ATOM 1396 C LEU A 94 -3.482 4.110 1.024 1.00 0.00 C ATOM 1397 O LEU A 94 -3.830 5.272 0.826 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.813 2.706 -0.321 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.758 2.857 -1.514 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -2.311 4.000 -2.427 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -2.896 1.536 -2.274 1.00 0.00 C ATOM 0 H LEU A 94 -1.175 2.179 2.007 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.467 4.589 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.789 2.808 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.914 1.694 0.071 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.747 3.116 -1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.000 4.085 -3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.306 4.934 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.307 3.796 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.573 1.671 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.918 1.223 -2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.295 0.772 -1.607 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.295 3.138 1.410 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.709 3.389 1.633 1.00 0.00 C ATOM 1415 C VAL A 95 -5.870 4.659 2.472 1.00 0.00 C ATOM 1416 O VAL A 95 -6.827 5.409 2.290 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.364 2.163 2.272 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.796 2.473 2.711 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.329 0.965 1.321 1.00 0.00 C ATOM 0 H VAL A 95 -4.002 2.175 1.574 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.222 3.557 0.686 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.790 1.902 3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.239 1.585 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.786 3.283 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.386 2.772 1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.801 0.107 1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.867 1.211 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.294 0.722 1.080 1.00 0.00 H new ATOM 1429 N ARG A 96 -4.919 4.859 3.373 1.00 0.00 N ATOM 1430 CA ARG A 96 -4.944 6.025 4.240 1.00 0.00 C ATOM 1431 C ARG A 96 -4.718 7.299 3.424 1.00 0.00 C ATOM 1432 O ARG A 96 -5.445 8.278 3.582 1.00 0.00 O ATOM 1433 CB ARG A 96 -3.871 5.926 5.326 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.504 5.779 6.711 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.430 5.676 7.796 1.00 0.00 C ATOM 1436 NE ARG A 96 -3.990 6.088 9.103 1.00 0.00 N ATOM 1437 CZ ARG A 96 -4.322 7.349 9.414 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -4.152 8.328 8.515 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -4.824 7.630 10.624 1.00 0.00 N ATOM 0 H ARG A 96 -4.127 4.234 3.521 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.924 6.064 4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.224 5.072 5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.242 6.816 5.303 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.149 6.634 6.913 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.136 4.891 6.734 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.059 4.653 7.856 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.580 6.309 7.539 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.132 5.368 9.811 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.770 8.114 7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.405 9.287 8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.953 6.885 11.308 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.077 8.589 10.861 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.708 7.244 2.568 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.377 8.381 1.727 1.00 0.00 C ATOM 1455 C LYS A 97 -4.481 8.578 0.686 1.00 0.00 C ATOM 1456 O LYS A 97 -4.811 9.709 0.332 1.00 0.00 O ATOM 1457 CB LYS A 97 -1.983 8.212 1.120 1.00 0.00 C ATOM 1458 CG LYS A 97 -0.909 8.194 2.209 1.00 0.00 C ATOM 1459 CD LYS A 97 0.101 7.071 1.966 1.00 0.00 C ATOM 1460 CE LYS A 97 1.303 7.203 2.903 1.00 0.00 C ATOM 1461 NZ LYS A 97 1.995 8.492 2.680 1.00 0.00 N ATOM 0 H LYS A 97 -3.108 6.429 2.439 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.331 9.293 2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.942 7.285 0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.785 9.026 0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.393 9.154 2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.377 8.062 3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.380 6.105 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.438 7.098 0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.973 7.135 3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.995 6.378 2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.975 8.423 3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.996 8.714 1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.500 9.246 3.198 1.00 0.00 H new ATOM 1475 N LEU A 98 -5.022 7.460 0.225 1.00 0.00 N ATOM 1476 CA LEU A 98 -6.082 7.495 -0.768 1.00 0.00 C ATOM 1477 C LEU A 98 -7.333 8.124 -0.151 1.00 0.00 C ATOM 1478 O LEU A 98 -7.931 9.027 -0.735 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.319 6.100 -1.349 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.146 5.485 -2.117 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -5.616 4.328 -3.000 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -4.397 6.551 -2.919 1.00 0.00 C ATOM 0 H LEU A 98 -4.746 6.524 0.521 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.792 8.122 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.585 5.428 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.180 6.147 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.442 5.073 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.764 3.909 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.069 3.556 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.351 4.693 -3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.569 6.088 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.078 7.014 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.010 7.312 -2.241 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.691 7.623 1.022 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.860 8.125 1.725 1.00 0.00 C ATOM 1496 C ARG A 99 -8.693 9.613 2.038 1.00 0.00 C ATOM 1497 O ARG A 99 -9.614 10.402 1.830 1.00 0.00 O ATOM 1498 CB ARG A 99 -9.088 7.359 3.030 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.706 5.986 2.759 1.00 0.00 C ATOM 1500 CD ARG A 99 -10.021 5.259 4.068 1.00 0.00 C ATOM 1501 NE ARG A 99 -10.168 3.808 3.818 1.00 0.00 N ATOM 1502 CZ ARG A 99 -10.462 2.908 4.766 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -10.641 3.304 6.033 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -10.575 1.611 4.447 1.00 0.00 N ATOM 0 H ARG A 99 -7.192 6.875 1.504 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.724 7.982 1.076 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.141 7.238 3.555 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.744 7.934 3.684 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.619 6.103 2.175 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.020 5.386 2.161 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.224 5.433 4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.938 5.656 4.503 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.037 3.472 2.864 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.554 4.291 6.276 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.865 2.619 6.755 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.437 1.309 3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.799 0.926 5.169 1.00 0.00 H new ATOM 1518 N GLY A 100 -7.511 9.953 2.532 1.00 0.00 N ATOM 1519 CA GLY A 100 -7.211 11.333 2.875 1.00 0.00 C ATOM 1520 C GLY A 100 -6.509 11.420 4.231 1.00 0.00 C ATOM 1521 O GLY A 100 -7.052 10.983 5.245 1.00 0.00 O ATOM 0 H GLY A 100 -6.750 9.296 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.578 11.774 2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.133 11.914 2.901 1.00 0.00 H new ATOM 1525 N ASP A 101 -5.312 11.988 4.206 1.00 0.00 N ATOM 1526 CA ASP A 101 -4.530 12.138 5.422 1.00 0.00 C ATOM 1527 C ASP A 101 -3.391 13.128 5.170 1.00 0.00 C ATOM 1528 O ASP A 101 -2.848 13.189 4.068 1.00 0.00 O ATOM 1529 CB ASP A 101 -3.912 10.805 5.848 1.00 0.00 C ATOM 1530 CG ASP A 101 -2.822 10.910 6.916 1.00 0.00 C ATOM 1531 OD1 ASP A 101 -3.163 11.354 8.033 1.00 0.00 O ATOM 1532 OD2 ASP A 101 -1.672 10.542 6.591 1.00 0.00 O ATOM 0 H ASP A 101 -4.865 12.350 3.364 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.195 12.495 6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.705 10.157 6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.492 10.319 4.968 1.00 0.00 H new ATOM 1537 N ASP A 102 -3.062 13.880 6.211 1.00 0.00 N ATOM 1538 CA ASP A 102 -1.997 14.864 6.117 1.00 0.00 C ATOM 1539 C ASP A 102 -0.792 14.384 6.927 1.00 0.00 C ATOM 1540 O ASP A 102 -0.875 14.242 8.146 1.00 0.00 O ATOM 1541 CB ASP A 102 -2.442 16.213 6.685 1.00 0.00 C ATOM 1542 CG ASP A 102 -2.228 17.409 5.756 1.00 0.00 C ATOM 1543 OD1 ASP A 102 -2.797 17.372 4.644 1.00 0.00 O ATOM 1544 OD2 ASP A 102 -1.499 18.333 6.179 1.00 0.00 O ATOM 0 H ASP A 102 -3.515 13.827 7.124 1.00 0.00 H new ATOM 0 HA ASP A 102 -1.740 14.983 5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -3.501 16.153 6.936 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.903 16.394 7.615 1.00 0.00 H new ATOM 1549 N GLU A 103 0.302 14.146 6.217 1.00 0.00 N ATOM 1550 CA GLU A 103 1.523 13.685 6.855 1.00 0.00 C ATOM 1551 C GLU A 103 2.285 14.866 7.459 1.00 0.00 C ATOM 1552 O GLU A 103 3.239 14.674 8.211 1.00 0.00 O ATOM 1553 CB GLU A 103 2.400 12.914 5.866 1.00 0.00 C ATOM 1554 CG GLU A 103 3.353 11.969 6.601 1.00 0.00 C ATOM 1555 CD GLU A 103 4.526 11.567 5.704 1.00 0.00 C ATOM 1556 OE1 GLU A 103 4.379 10.544 5.002 1.00 0.00 O ATOM 1557 OE2 GLU A 103 5.543 12.293 5.741 1.00 0.00 O ATOM 0 H GLU A 103 0.368 14.264 5.206 1.00 0.00 H new ATOM 0 HA GLU A 103 1.254 13.002 7.661 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.770 12.343 5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.973 13.615 5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.729 12.454 7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.813 11.078 6.921 1.00 0.00 H new ATOM 1564 N GLU A 104 1.835 16.061 7.107 1.00 0.00 N ATOM 1565 CA GLU A 104 2.463 17.274 7.605 1.00 0.00 C ATOM 1566 C GLU A 104 3.929 17.329 7.171 1.00 0.00 C ATOM 1567 O GLU A 104 4.587 16.296 7.062 1.00 0.00 O ATOM 1568 CB GLU A 104 2.338 17.370 9.127 1.00 0.00 C ATOM 1569 CG GLU A 104 1.764 18.725 9.545 1.00 0.00 C ATOM 1570 CD GLU A 104 2.110 19.042 11.002 1.00 0.00 C ATOM 1571 OE1 GLU A 104 3.269 18.770 11.382 1.00 0.00 O ATOM 1572 OE2 GLU A 104 1.207 19.548 11.702 1.00 0.00 O ATOM 0 H GLU A 104 1.043 16.216 6.483 1.00 0.00 H new ATOM 0 HA GLU A 104 1.945 18.131 7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.695 16.570 9.494 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.317 17.228 9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.158 19.507 8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.682 18.720 9.417 1.00 0.00 H new ATOM 1579 N SER A 105 4.397 18.546 6.934 1.00 0.00 N ATOM 1580 CA SER A 105 5.773 18.749 6.514 1.00 0.00 C ATOM 1581 C SER A 105 6.022 18.047 5.178 1.00 0.00 C ATOM 1582 O SER A 105 5.503 16.957 4.939 1.00 0.00 O ATOM 1583 CB SER A 105 6.753 18.239 7.572 1.00 0.00 C ATOM 1584 OG SER A 105 7.519 19.296 8.145 1.00 0.00 O ATOM 0 H SER A 105 3.848 19.401 7.025 1.00 0.00 H new ATOM 0 HA SER A 105 5.938 19.819 6.391 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.202 17.724 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.424 17.508 7.122 1.00 0.00 H new ATOM 0 HG SER A 105 8.131 18.929 8.817 1.00 0.00 H new ATOM 1590 N GLY A 106 6.815 18.700 4.341 1.00 0.00 N ATOM 1591 CA GLY A 106 7.139 18.152 3.035 1.00 0.00 C ATOM 1592 C GLY A 106 8.367 17.243 3.111 1.00 0.00 C ATOM 1593 O GLY A 106 9.259 17.465 3.929 1.00 0.00 O ATOM 0 H GLY A 106 7.243 19.604 4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.288 17.589 2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.326 18.964 2.332 1.00 0.00 H new ATOM 1597 N PRO A 107 8.374 16.211 2.224 1.00 0.00 N ATOM 1598 CA PRO A 107 9.479 15.268 2.183 1.00 0.00 C ATOM 1599 C PRO A 107 10.709 15.892 1.521 1.00 0.00 C ATOM 1600 O PRO A 107 10.651 17.019 1.033 1.00 0.00 O ATOM 1601 CB PRO A 107 8.941 14.066 1.424 1.00 0.00 C ATOM 1602 CG PRO A 107 7.719 14.562 0.669 1.00 0.00 C ATOM 1603 CD PRO A 107 7.336 15.917 1.241 1.00 0.00 C ATOM 0 HA PRO A 107 9.820 14.976 3.176 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.690 13.670 0.738 1.00 0.00 H new ATOM 0 HB3 PRO A 107 8.677 13.259 2.107 1.00 0.00 H new ATOM 0 HG2 PRO A 107 7.936 14.645 -0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 107 6.894 13.857 0.773 1.00 0.00 H new ATOM 0 HD2 PRO A 107 7.300 16.679 0.463 1.00 0.00 H new ATOM 0 HD3 PRO A 107 6.350 15.887 1.704 1.00 0.00 H new ATOM 1611 N SER A 108 11.793 15.130 1.525 1.00 0.00 N ATOM 1612 CA SER A 108 13.035 15.595 0.930 1.00 0.00 C ATOM 1613 C SER A 108 13.534 16.840 1.666 1.00 0.00 C ATOM 1614 O SER A 108 13.092 17.952 1.382 1.00 0.00 O ATOM 1615 CB SER A 108 12.855 15.895 -0.559 1.00 0.00 C ATOM 1616 OG SER A 108 13.879 15.300 -1.351 1.00 0.00 O ATOM 0 H SER A 108 11.837 14.195 1.930 1.00 0.00 H new ATOM 0 HA SER A 108 13.777 14.802 1.025 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.883 15.528 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.857 16.974 -0.714 1.00 0.00 H new ATOM 0 HG SER A 108 13.728 15.513 -2.295 1.00 0.00 H new ATOM 1622 N SER A 109 14.449 16.611 2.597 1.00 0.00 N ATOM 1623 CA SER A 109 15.013 17.701 3.375 1.00 0.00 C ATOM 1624 C SER A 109 16.061 18.448 2.547 1.00 0.00 C ATOM 1625 O SER A 109 16.998 17.840 2.031 1.00 0.00 O ATOM 1626 CB SER A 109 15.633 17.185 4.675 1.00 0.00 C ATOM 1627 OG SER A 109 14.961 17.692 5.825 1.00 0.00 O ATOM 0 H SER A 109 14.813 15.687 2.830 1.00 0.00 H new ATOM 0 HA SER A 109 14.208 18.388 3.635 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.598 16.096 4.686 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.684 17.471 4.714 1.00 0.00 H new ATOM 0 HG SER A 109 15.385 17.338 6.634 1.00 0.00 H new ATOM 1633 N GLY A 110 15.867 19.755 2.446 1.00 0.00 N ATOM 1634 CA GLY A 110 16.783 20.591 1.690 1.00 0.00 C ATOM 1635 C GLY A 110 18.163 20.630 2.351 1.00 0.00 C ATOM 1636 O GLY A 110 18.415 21.463 3.220 1.00 0.00 O ATOM 0 H GLY A 110 15.089 20.255 2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 110 16.874 20.210 0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.382 21.602 1.617 1.00 0.00 H new TER 1640 GLY A 110