USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 737 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 100 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 117 HIS : no HD1:sc= 0.515 K(o=0.52,f=-9!) USER MOD Single : A 16 SER OG : rot 32:sc= 1.27 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.969! USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= -0.0642 (180deg=-0.502) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.275 X(o=-0.27,f=-0.00066) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 24:sc= -0.357 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0157 USER MOD Single : A 43 GLN : amide:sc= -1.73! C(o=-1.7!,f=-12!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-4.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.31! USER MOD Single : A 49 THR OG1 : rot -64:sc= 0.0359 USER MOD Single : A 52 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.01!) USER MOD Single : A 54 SER OG : rot 69:sc= 0.94 USER MOD Single : A 57 TYR OH : rot 150:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc=-0.00965 USER MOD Single : A 61 ASN : amide:sc= -0.463 K(o=-0.46,f=-4.2!) USER MOD Single : A 62 THR OG1 : rot 16:sc= 0.557 USER MOD Single : A 63 THR OG1 : rot 43:sc= 1.22 USER MOD Single : A 66 GLN : amide:sc= -0.998 X(o=-1,f=-1.1!) USER MOD Single : A 69 THR OG1 : rot 79:sc= 0.855 USER MOD Single : A 73 GLN : amide:sc= -6.52! C(o=-6.5!,f=-5.6!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0977 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -14! C(o=-14!,f=-13!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -6.48! C(o=-6.5!,f=-7.6!) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0.0047) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.848 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.17) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -4.359 20.335 -59.051 1.00 0.00 N ATOM 2 CA GLY A 15 -3.681 19.124 -59.481 1.00 0.00 C ATOM 3 C GLY A 15 -3.572 18.120 -58.332 1.00 0.00 C ATOM 4 O GLY A 15 -2.471 17.782 -57.901 1.00 0.00 O ATOM 0 HA2 GLY A 15 -4.225 18.674 -60.312 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.685 19.371 -59.848 1.00 0.00 H new ATOM 8 N SER A 16 -4.730 17.672 -57.868 1.00 0.00 N ATOM 9 CA SER A 16 -4.778 16.712 -56.778 1.00 0.00 C ATOM 10 C SER A 16 -6.232 16.364 -56.451 1.00 0.00 C ATOM 11 O SER A 16 -6.632 15.204 -56.544 1.00 0.00 O ATOM 12 CB SER A 16 -4.072 17.257 -55.534 1.00 0.00 C ATOM 13 OG SER A 16 -2.684 16.927 -55.521 1.00 0.00 O ATOM 0 H SER A 16 -5.642 17.956 -58.227 1.00 0.00 H new ATOM 0 HA SER A 16 -4.256 15.809 -57.094 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.188 18.340 -55.497 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.549 16.854 -54.640 1.00 0.00 H new ATOM 0 HG SER A 16 -2.349 16.884 -56.441 1.00 0.00 H new ATOM 18 N GLY A 17 -6.983 17.389 -56.077 1.00 0.00 N ATOM 19 CA GLY A 17 -8.383 17.205 -55.736 1.00 0.00 C ATOM 20 C GLY A 17 -8.572 15.991 -54.825 1.00 0.00 C ATOM 21 O GLY A 17 -7.898 15.867 -53.803 1.00 0.00 O ATOM 0 H GLY A 17 -6.648 18.350 -56.003 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.760 18.099 -55.239 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.968 17.075 -56.646 1.00 0.00 H new ATOM 25 N MET A 18 -9.491 15.126 -55.227 1.00 0.00 N ATOM 26 CA MET A 18 -9.777 13.927 -54.458 1.00 0.00 C ATOM 27 C MET A 18 -10.195 14.277 -53.028 1.00 0.00 C ATOM 28 O MET A 18 -9.381 14.216 -52.107 1.00 0.00 O ATOM 29 CB MET A 18 -8.533 13.035 -54.423 1.00 0.00 C ATOM 30 CG MET A 18 -8.231 12.461 -55.809 1.00 0.00 C ATOM 31 SD MET A 18 -7.208 11.007 -55.657 1.00 0.00 S ATOM 32 CE MET A 18 -7.901 10.003 -56.960 1.00 0.00 C ATOM 0 H MET A 18 -10.047 15.231 -56.075 1.00 0.00 H new ATOM 0 HA MET A 18 -10.601 13.399 -54.937 1.00 0.00 H new ATOM 0 HB2 MET A 18 -7.678 13.611 -54.070 1.00 0.00 H new ATOM 0 HB3 MET A 18 -8.684 12.221 -53.714 1.00 0.00 H new ATOM 0 HG2 MET A 18 -9.161 12.210 -56.318 1.00 0.00 H new ATOM 0 HG3 MET A 18 -7.726 13.209 -56.419 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.374 9.050 -57.005 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.957 9.824 -56.759 1.00 0.00 H new ATOM 0 HE3 MET A 18 -7.796 10.521 -57.913 1.00 0.00 H new ATOM 40 N LYS A 19 -11.461 14.636 -52.888 1.00 0.00 N ATOM 41 CA LYS A 19 -11.997 14.997 -51.587 1.00 0.00 C ATOM 42 C LYS A 19 -13.520 15.111 -51.680 1.00 0.00 C ATOM 43 O LYS A 19 -14.046 15.679 -52.636 1.00 0.00 O ATOM 44 CB LYS A 19 -11.317 16.262 -51.058 1.00 0.00 C ATOM 45 CG LYS A 19 -11.700 17.482 -51.900 1.00 0.00 C ATOM 46 CD LYS A 19 -12.263 18.599 -51.020 1.00 0.00 C ATOM 47 CE LYS A 19 -13.792 18.620 -51.071 1.00 0.00 C ATOM 48 NZ LYS A 19 -14.262 19.486 -52.174 1.00 0.00 N ATOM 0 H LYS A 19 -12.132 14.685 -53.654 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.779 14.217 -50.857 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.605 16.427 -50.020 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.235 16.131 -51.072 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.825 17.845 -52.440 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.440 17.195 -52.648 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.932 18.458 -49.991 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.871 19.561 -51.352 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.171 17.607 -51.209 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.188 18.982 -50.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.302 19.489 -52.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.916 20.455 -52.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.899 19.123 -53.079 1.00 0.00 H new ATOM 58 N GLU A 20 -14.186 14.562 -50.675 1.00 0.00 N ATOM 59 CA GLU A 20 -15.638 14.595 -50.632 1.00 0.00 C ATOM 60 C GLU A 20 -16.140 14.084 -49.280 1.00 0.00 C ATOM 61 O GLU A 20 -15.369 13.541 -48.491 1.00 0.00 O ATOM 62 CB GLU A 20 -16.239 13.785 -51.782 1.00 0.00 C ATOM 63 CG GLU A 20 -15.748 12.336 -51.748 1.00 0.00 C ATOM 64 CD GLU A 20 -15.076 11.953 -53.068 1.00 0.00 C ATOM 65 OE1 GLU A 20 -14.160 12.701 -53.476 1.00 0.00 O ATOM 66 OE2 GLU A 20 -15.493 10.923 -53.639 1.00 0.00 O ATOM 0 H GLU A 20 -13.747 14.092 -49.884 1.00 0.00 H new ATOM 0 HA GLU A 20 -15.963 15.629 -50.751 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.327 13.806 -51.716 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.968 14.242 -52.734 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.044 12.206 -50.926 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.588 11.668 -51.556 1.00 0.00 H new ATOM 71 N THR A 21 -17.432 14.276 -49.053 1.00 0.00 N ATOM 72 CA THR A 21 -18.047 13.842 -47.811 1.00 0.00 C ATOM 73 C THR A 21 -17.023 13.863 -46.674 1.00 0.00 C ATOM 74 O THR A 21 -16.782 14.907 -46.071 1.00 0.00 O ATOM 75 CB THR A 21 -18.665 12.462 -48.047 1.00 0.00 C ATOM 76 OG1 THR A 21 -18.641 11.847 -46.762 1.00 0.00 O ATOM 77 CG2 THR A 21 -17.776 11.561 -48.907 1.00 0.00 C ATOM 0 H THR A 21 -18.069 14.727 -49.709 1.00 0.00 H new ATOM 0 HA THR A 21 -18.842 14.522 -47.504 1.00 0.00 H new ATOM 0 HB THR A 21 -19.637 12.577 -48.527 1.00 0.00 H new ATOM 0 HG1 THR A 21 -19.026 10.948 -46.823 1.00 0.00 H new ATOM 0 HG21 THR A 21 -18.261 10.595 -49.044 1.00 0.00 H new ATOM 0 HG22 THR A 21 -17.617 12.028 -49.879 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.816 11.418 -48.412 1.00 0.00 H new ATOM 85 N ALA A 22 -16.450 12.696 -46.415 1.00 0.00 N ATOM 86 CA ALA A 22 -15.458 12.568 -45.361 1.00 0.00 C ATOM 87 C ALA A 22 -16.168 12.462 -44.010 1.00 0.00 C ATOM 88 O ALA A 22 -16.040 11.454 -43.315 1.00 0.00 O ATOM 89 CB ALA A 22 -14.492 13.754 -45.421 1.00 0.00 C ATOM 0 H ALA A 22 -16.654 11.832 -46.917 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.869 11.661 -45.496 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.748 13.658 -44.630 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.992 13.768 -46.390 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -15.047 14.682 -45.286 1.00 0.00 H new ATOM 95 N ALA A 23 -16.901 13.514 -43.678 1.00 0.00 N ATOM 96 CA ALA A 23 -17.631 13.552 -42.422 1.00 0.00 C ATOM 97 C ALA A 23 -18.402 14.870 -42.324 1.00 0.00 C ATOM 98 O ALA A 23 -18.283 15.729 -43.196 1.00 0.00 O ATOM 99 CB ALA A 23 -16.656 13.359 -41.258 1.00 0.00 C ATOM 0 H ALA A 23 -17.005 14.347 -44.257 1.00 0.00 H new ATOM 0 HA ALA A 23 -18.358 12.741 -42.377 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.204 13.388 -40.316 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -16.156 12.396 -41.358 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.913 14.156 -41.270 1.00 0.00 H new ATOM 105 N ALA A 24 -19.177 14.988 -41.256 1.00 0.00 N ATOM 106 CA ALA A 24 -19.967 16.185 -41.033 1.00 0.00 C ATOM 107 C ALA A 24 -20.639 16.100 -39.662 1.00 0.00 C ATOM 108 O ALA A 24 -21.819 15.766 -39.564 1.00 0.00 O ATOM 109 CB ALA A 24 -20.979 16.348 -42.169 1.00 0.00 C ATOM 0 H ALA A 24 -19.274 14.273 -40.535 1.00 0.00 H new ATOM 0 HA ALA A 24 -19.331 17.070 -41.034 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -21.572 17.247 -42.002 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -20.450 16.434 -43.118 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -21.637 15.479 -42.198 1.00 0.00 H new ATOM 115 N LYS A 25 -19.860 16.409 -38.636 1.00 0.00 N ATOM 116 CA LYS A 25 -20.365 16.372 -37.275 1.00 0.00 C ATOM 117 C LYS A 25 -19.745 17.518 -36.473 1.00 0.00 C ATOM 118 O LYS A 25 -18.936 18.281 -36.999 1.00 0.00 O ATOM 119 CB LYS A 25 -20.134 14.992 -36.654 1.00 0.00 C ATOM 120 CG LYS A 25 -18.650 14.765 -36.359 1.00 0.00 C ATOM 121 CD LYS A 25 -18.239 13.329 -36.685 1.00 0.00 C ATOM 122 CE LYS A 25 -18.022 12.517 -35.406 1.00 0.00 C ATOM 123 NZ LYS A 25 -16.881 13.059 -34.636 1.00 0.00 N ATOM 0 H LYS A 25 -18.882 16.686 -38.720 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.444 16.524 -37.266 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.709 14.903 -35.733 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.496 14.219 -37.332 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.049 15.461 -36.944 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.448 14.975 -35.309 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -19.009 12.856 -37.294 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -17.323 13.334 -37.276 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -18.925 12.541 -34.795 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -17.835 11.473 -35.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.435 12.294 -34.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.185 13.470 -35.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -17.220 13.795 -33.985 1.00 0.00 H new ATOM 133 N PHE A 26 -20.146 17.602 -35.212 1.00 0.00 N ATOM 134 CA PHE A 26 -19.639 18.642 -34.334 1.00 0.00 C ATOM 135 C PHE A 26 -18.327 18.211 -33.674 1.00 0.00 C ATOM 136 O PHE A 26 -17.907 17.064 -33.812 1.00 0.00 O ATOM 137 CB PHE A 26 -20.693 18.862 -33.247 1.00 0.00 C ATOM 138 CG PHE A 26 -22.099 19.126 -33.790 1.00 0.00 C ATOM 139 CD1 PHE A 26 -22.336 20.221 -34.562 1.00 0.00 C ATOM 140 CD2 PHE A 26 -23.113 18.267 -33.499 1.00 0.00 C ATOM 141 CE1 PHE A 26 -23.641 20.466 -35.065 1.00 0.00 C ATOM 142 CE2 PHE A 26 -24.418 18.513 -34.003 1.00 0.00 C ATOM 143 CZ PHE A 26 -24.654 19.606 -34.775 1.00 0.00 C ATOM 0 H PHE A 26 -20.816 16.967 -34.778 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.447 19.550 -34.905 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -20.723 17.985 -32.601 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -20.390 19.705 -32.626 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -21.532 20.904 -34.792 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -22.926 17.398 -32.885 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -23.829 21.335 -35.678 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -25.223 17.831 -33.773 1.00 0.00 H new ATOM 0 HZ PHE A 26 -25.646 19.792 -35.158 1.00 0.00 H new ATOM 152 N GLU A 27 -17.717 19.155 -32.973 1.00 0.00 N ATOM 153 CA GLU A 27 -16.462 18.887 -32.292 1.00 0.00 C ATOM 154 C GLU A 27 -16.722 18.475 -30.842 1.00 0.00 C ATOM 155 O GLU A 27 -17.461 19.147 -30.124 1.00 0.00 O ATOM 156 CB GLU A 27 -15.533 20.101 -32.358 1.00 0.00 C ATOM 157 CG GLU A 27 -14.090 19.673 -32.634 1.00 0.00 C ATOM 158 CD GLU A 27 -13.684 20.011 -34.070 1.00 0.00 C ATOM 159 OE1 GLU A 27 -13.886 21.182 -34.457 1.00 0.00 O ATOM 160 OE2 GLU A 27 -13.179 19.090 -34.749 1.00 0.00 O ATOM 0 H GLU A 27 -18.068 20.106 -32.862 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.965 18.061 -32.800 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.871 20.780 -33.141 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.580 20.651 -31.418 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.419 20.172 -31.935 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.986 18.601 -32.465 1.00 0.00 H new ATOM 165 N ARG A 28 -16.100 17.372 -30.454 1.00 0.00 N ATOM 166 CA ARG A 28 -16.254 16.861 -29.102 1.00 0.00 C ATOM 167 C ARG A 28 -14.912 16.886 -28.368 1.00 0.00 C ATOM 168 O ARG A 28 -13.871 16.607 -28.961 1.00 0.00 O ATOM 169 CB ARG A 28 -16.796 15.430 -29.112 1.00 0.00 C ATOM 170 CG ARG A 28 -18.225 15.381 -28.568 1.00 0.00 C ATOM 171 CD ARG A 28 -18.243 15.602 -27.055 1.00 0.00 C ATOM 172 NE ARG A 28 -19.587 16.050 -26.624 1.00 0.00 N ATOM 173 CZ ARG A 28 -20.035 15.978 -25.364 1.00 0.00 C ATOM 174 NH1 ARG A 28 -19.248 15.478 -24.400 1.00 0.00 N ATOM 175 NH2 ARG A 28 -21.268 16.408 -25.066 1.00 0.00 N ATOM 0 H ARG A 28 -15.488 16.817 -31.052 1.00 0.00 H new ATOM 0 HA ARG A 28 -16.966 17.503 -28.585 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -16.776 15.037 -30.129 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -16.152 14.789 -28.510 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -18.831 16.143 -29.058 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -18.675 14.417 -28.804 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -17.977 14.678 -26.541 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -17.497 16.347 -26.779 1.00 0.00 H new ATOM 0 HE ARG A 28 -20.211 16.438 -27.331 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -18.308 15.153 -24.627 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.589 15.423 -23.440 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -21.866 16.790 -25.799 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -21.609 16.353 -24.106 1.00 0.00 H new ATOM 186 N GLN A 29 -14.980 17.223 -27.088 1.00 0.00 N ATOM 187 CA GLN A 29 -13.782 17.289 -26.268 1.00 0.00 C ATOM 188 C GLN A 29 -13.889 16.312 -25.095 1.00 0.00 C ATOM 189 O GLN A 29 -13.260 15.255 -25.104 1.00 0.00 O ATOM 190 CB GLN A 29 -13.535 18.715 -25.772 1.00 0.00 C ATOM 191 CG GLN A 29 -12.073 19.119 -25.976 1.00 0.00 C ATOM 192 CD GLN A 29 -11.949 20.202 -27.051 1.00 0.00 C ATOM 193 OE1 GLN A 29 -11.494 19.964 -28.158 1.00 0.00 O ATOM 194 NE2 GLN A 29 -12.378 21.400 -26.664 1.00 0.00 N ATOM 0 H GLN A 29 -15.845 17.453 -26.599 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.928 17.000 -26.881 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.186 19.408 -26.306 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.792 18.786 -24.715 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.658 19.485 -25.037 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.487 18.246 -26.265 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.748 21.530 -25.722 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.338 22.189 -27.309 1.00 0.00 H new ATOM 201 N HIS A 30 -14.691 16.699 -24.113 1.00 0.00 N ATOM 202 CA HIS A 30 -14.888 15.871 -22.937 1.00 0.00 C ATOM 203 C HIS A 30 -13.612 15.868 -22.092 1.00 0.00 C ATOM 204 O HIS A 30 -13.002 14.820 -21.887 1.00 0.00 O ATOM 205 CB HIS A 30 -15.341 14.464 -23.332 1.00 0.00 C ATOM 206 CG HIS A 30 -15.934 13.668 -22.195 1.00 0.00 C ATOM 207 ND1 HIS A 30 -16.977 12.775 -22.367 1.00 0.00 N ATOM 208 CD2 HIS A 30 -15.617 13.637 -20.868 1.00 0.00 C ATOM 209 CE1 HIS A 30 -17.269 12.239 -21.192 1.00 0.00 C ATOM 210 NE2 HIS A 30 -16.424 12.774 -20.264 1.00 0.00 N ATOM 0 H HIS A 30 -15.212 17.576 -24.109 1.00 0.00 H new ATOM 0 HA HIS A 30 -15.687 16.288 -22.324 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -16.078 14.542 -24.131 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -14.488 13.919 -23.737 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -14.841 14.217 -20.390 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -18.040 11.507 -21.002 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -16.414 12.548 -19.269 1.00 0.00 H new ATOM 217 N MET A 31 -13.247 17.053 -21.625 1.00 0.00 N ATOM 218 CA MET A 31 -12.055 17.200 -20.806 1.00 0.00 C ATOM 219 C MET A 31 -11.861 18.655 -20.378 1.00 0.00 C ATOM 220 O MET A 31 -11.600 19.522 -21.212 1.00 0.00 O ATOM 221 CB MET A 31 -10.832 16.731 -21.598 1.00 0.00 C ATOM 222 CG MET A 31 -10.609 17.608 -22.831 1.00 0.00 C ATOM 223 SD MET A 31 -9.954 16.625 -24.169 1.00 0.00 S ATOM 224 CE MET A 31 -8.691 17.729 -24.777 1.00 0.00 C ATOM 0 H MET A 31 -13.755 17.920 -21.798 1.00 0.00 H new ATOM 0 HA MET A 31 -12.174 16.591 -19.910 1.00 0.00 H new ATOM 0 HB2 MET A 31 -9.948 16.761 -20.961 1.00 0.00 H new ATOM 0 HB3 MET A 31 -10.968 15.694 -21.905 1.00 0.00 H new ATOM 0 HG2 MET A 31 -11.549 18.069 -23.134 1.00 0.00 H new ATOM 0 HG3 MET A 31 -9.919 18.417 -22.592 1.00 0.00 H new ATOM 0 HE1 MET A 31 -8.179 17.267 -25.621 1.00 0.00 H new ATOM 0 HE2 MET A 31 -9.149 18.664 -25.098 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.972 17.931 -23.983 1.00 0.00 H new ATOM 232 N ASP A 32 -11.992 18.880 -19.079 1.00 0.00 N ATOM 233 CA ASP A 32 -11.834 20.216 -18.531 1.00 0.00 C ATOM 234 C ASP A 32 -10.524 20.286 -17.743 1.00 0.00 C ATOM 235 O ASP A 32 -10.462 19.848 -16.595 1.00 0.00 O ATOM 236 CB ASP A 32 -12.979 20.558 -17.576 1.00 0.00 C ATOM 237 CG ASP A 32 -14.119 19.539 -17.541 1.00 0.00 C ATOM 238 OD1 ASP A 32 -13.922 18.488 -16.893 1.00 0.00 O ATOM 239 OD2 ASP A 32 -15.163 19.833 -18.164 1.00 0.00 O ATOM 0 H ASP A 32 -12.206 18.159 -18.390 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.833 20.924 -19.360 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.574 20.662 -16.569 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.388 21.529 -17.856 1.00 0.00 H new ATOM 243 N SER A 33 -9.511 20.842 -18.391 1.00 0.00 N ATOM 244 CA SER A 33 -8.206 20.975 -17.764 1.00 0.00 C ATOM 245 C SER A 33 -7.660 19.596 -17.393 1.00 0.00 C ATOM 246 O SER A 33 -8.425 18.678 -17.104 1.00 0.00 O ATOM 247 CB SER A 33 -8.280 21.868 -16.523 1.00 0.00 C ATOM 248 OG SER A 33 -8.236 23.252 -16.859 1.00 0.00 O ATOM 0 H SER A 33 -9.567 21.205 -19.342 1.00 0.00 H new ATOM 0 HA SER A 33 -7.530 21.446 -18.478 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.200 21.656 -15.978 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.452 21.630 -15.855 1.00 0.00 H new ATOM 0 HG SER A 33 -8.287 23.789 -16.041 1.00 0.00 H new ATOM 253 N PRO A 34 -6.304 19.489 -17.416 1.00 0.00 N ATOM 254 CA PRO A 34 -5.646 18.236 -17.086 1.00 0.00 C ATOM 255 C PRO A 34 -5.676 17.983 -15.577 1.00 0.00 C ATOM 256 O PRO A 34 -6.466 18.591 -14.857 1.00 0.00 O ATOM 257 CB PRO A 34 -4.236 18.375 -17.637 1.00 0.00 C ATOM 258 CG PRO A 34 -4.013 19.866 -17.842 1.00 0.00 C ATOM 259 CD PRO A 34 -5.366 20.554 -17.755 1.00 0.00 C ATOM 0 HA PRO A 34 -6.146 17.371 -17.521 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.503 17.962 -16.944 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.128 17.831 -18.576 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.335 20.259 -17.084 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.551 20.054 -18.811 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.364 21.336 -16.996 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.630 21.028 -18.700 1.00 0.00 H new ATOM 264 N ASP A 35 -4.804 17.083 -15.144 1.00 0.00 N ATOM 265 CA ASP A 35 -4.720 16.741 -13.735 1.00 0.00 C ATOM 266 C ASP A 35 -3.252 16.562 -13.344 1.00 0.00 C ATOM 267 O ASP A 35 -2.549 15.734 -13.921 1.00 0.00 O ATOM 268 CB ASP A 35 -5.450 15.429 -13.442 1.00 0.00 C ATOM 269 CG ASP A 35 -6.645 15.136 -14.353 1.00 0.00 C ATOM 270 OD1 ASP A 35 -7.695 15.777 -14.134 1.00 0.00 O ATOM 271 OD2 ASP A 35 -6.480 14.278 -15.247 1.00 0.00 O ATOM 0 H ASP A 35 -4.150 16.581 -15.745 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.183 17.547 -13.165 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.738 14.608 -13.526 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.796 15.446 -12.408 1.00 0.00 H new ATOM 275 N LEU A 36 -2.832 17.352 -12.366 1.00 0.00 N ATOM 276 CA LEU A 36 -1.460 17.292 -11.893 1.00 0.00 C ATOM 277 C LEU A 36 -1.282 18.274 -10.733 1.00 0.00 C ATOM 278 O LEU A 36 -1.113 19.472 -10.951 1.00 0.00 O ATOM 279 CB LEU A 36 -0.483 17.520 -13.047 1.00 0.00 C ATOM 280 CG LEU A 36 0.298 16.291 -13.518 1.00 0.00 C ATOM 281 CD1 LEU A 36 0.410 16.263 -15.043 1.00 0.00 C ATOM 282 CD2 LEU A 36 1.668 16.219 -12.840 1.00 0.00 C ATOM 0 H LEU A 36 -3.418 18.037 -11.889 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.234 16.298 -11.508 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.040 17.919 -13.895 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.231 18.286 -12.746 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.255 15.400 -13.221 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.970 15.380 -15.351 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.588 16.231 -15.481 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.928 17.158 -15.386 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.202 15.337 -13.192 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.242 17.113 -13.084 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.537 16.156 -11.760 1.00 0.00 H new ATOM 293 N GLY A 37 -1.325 17.730 -9.526 1.00 0.00 N ATOM 294 CA GLY A 37 -1.170 18.543 -8.332 1.00 0.00 C ATOM 295 C GLY A 37 -0.519 17.742 -7.203 1.00 0.00 C ATOM 296 O GLY A 37 -1.046 17.688 -6.093 1.00 0.00 O ATOM 0 H GLY A 37 -1.465 16.735 -9.349 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.561 19.418 -8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.144 18.909 -8.008 1.00 0.00 H new ATOM 300 N THR A 38 0.616 17.140 -7.526 1.00 0.00 N ATOM 301 CA THR A 38 1.344 16.344 -6.552 1.00 0.00 C ATOM 302 C THR A 38 0.381 15.451 -5.767 1.00 0.00 C ATOM 303 O THR A 38 -0.776 15.286 -6.153 1.00 0.00 O ATOM 304 CB THR A 38 2.146 17.299 -5.667 1.00 0.00 C ATOM 305 OG1 THR A 38 1.158 18.134 -5.071 1.00 0.00 O ATOM 306 CG2 THR A 38 3.011 18.265 -6.480 1.00 0.00 C ATOM 0 H THR A 38 1.049 17.187 -8.448 1.00 0.00 H new ATOM 0 HA THR A 38 2.044 15.664 -7.039 1.00 0.00 H new ATOM 0 HB THR A 38 2.781 16.722 -4.994 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.297 17.666 -5.061 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.559 18.920 -5.803 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.717 17.698 -7.087 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.374 18.865 -7.129 1.00 0.00 H new ATOM 314 N THR A 39 0.894 14.897 -4.678 1.00 0.00 N ATOM 315 CA THR A 39 0.094 14.025 -3.835 1.00 0.00 C ATOM 316 C THR A 39 0.146 14.495 -2.380 1.00 0.00 C ATOM 317 O THR A 39 0.380 13.698 -1.474 1.00 0.00 O ATOM 318 CB THR A 39 0.594 12.591 -4.028 1.00 0.00 C ATOM 319 OG1 THR A 39 0.741 12.462 -5.439 1.00 0.00 O ATOM 320 CG2 THR A 39 -0.464 11.547 -3.666 1.00 0.00 C ATOM 0 H THR A 39 1.853 15.035 -4.360 1.00 0.00 H new ATOM 0 HA THR A 39 -0.958 14.059 -4.118 1.00 0.00 H new ATOM 0 HB THR A 39 1.483 12.432 -3.418 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.063 11.562 -5.653 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.057 10.548 -3.821 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.748 11.665 -2.620 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.341 11.684 -4.298 1.00 0.00 H new ATOM 328 N LEU A 40 -0.077 15.788 -2.202 1.00 0.00 N ATOM 329 CA LEU A 40 -0.059 16.375 -0.872 1.00 0.00 C ATOM 330 C LEU A 40 -0.845 15.479 0.087 1.00 0.00 C ATOM 331 O LEU A 40 -2.064 15.358 -0.029 1.00 0.00 O ATOM 332 CB LEU A 40 -0.563 17.819 -0.917 1.00 0.00 C ATOM 333 CG LEU A 40 -2.033 18.005 -1.301 1.00 0.00 C ATOM 334 CD1 LEU A 40 -2.851 18.508 -0.110 1.00 0.00 C ATOM 335 CD2 LEU A 40 -2.169 18.920 -2.519 1.00 0.00 C ATOM 0 H LEU A 40 -0.271 16.447 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 40 0.962 16.430 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.404 18.269 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.050 18.375 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.439 17.033 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.892 18.632 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.791 17.785 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.454 19.466 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.223 19.036 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.741 19.896 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.640 18.481 -3.365 1.00 0.00 H new ATOM 346 N LEU A 41 -0.115 14.872 1.011 1.00 0.00 N ATOM 347 CA LEU A 41 -0.729 13.991 1.990 1.00 0.00 C ATOM 348 C LEU A 41 -1.806 13.148 1.305 1.00 0.00 C ATOM 349 O LEU A 41 -2.812 12.800 1.921 1.00 0.00 O ATOM 350 CB LEU A 41 -1.243 14.794 3.186 1.00 0.00 C ATOM 351 CG LEU A 41 -0.854 16.273 3.219 1.00 0.00 C ATOM 352 CD1 LEU A 41 -1.828 17.076 4.084 1.00 0.00 C ATOM 353 CD2 LEU A 41 0.596 16.449 3.673 1.00 0.00 C ATOM 0 H LEU A 41 0.896 14.973 1.102 1.00 0.00 H new ATOM 0 HA LEU A 41 0.008 13.298 2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.331 14.725 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.878 14.323 4.098 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.923 16.667 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.529 18.124 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.835 16.988 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.815 16.688 5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.847 17.510 3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.717 16.034 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.259 15.929 2.982 1.00 0.00 H new ATOM 364 N GLU A 42 -1.559 12.843 0.039 1.00 0.00 N ATOM 365 CA GLU A 42 -2.496 12.047 -0.735 1.00 0.00 C ATOM 366 C GLU A 42 -3.934 12.416 -0.371 1.00 0.00 C ATOM 367 O GLU A 42 -4.717 11.556 0.031 1.00 0.00 O ATOM 368 CB GLU A 42 -2.244 10.551 -0.531 1.00 0.00 C ATOM 369 CG GLU A 42 -2.378 10.169 0.944 1.00 0.00 C ATOM 370 CD GLU A 42 -1.090 10.479 1.709 1.00 0.00 C ATOM 371 OE1 GLU A 42 -0.020 10.430 1.064 1.00 0.00 O ATOM 372 OE2 GLU A 42 -1.203 10.758 2.923 1.00 0.00 O ATOM 0 H GLU A 42 -0.724 13.133 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.343 12.267 -1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.953 9.975 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.246 10.295 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.210 10.713 1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.609 9.107 1.029 1.00 0.00 H new ATOM 377 N GLN A 43 -4.240 13.696 -0.524 1.00 0.00 N ATOM 378 CA GLN A 43 -5.571 14.190 -0.215 1.00 0.00 C ATOM 379 C GLN A 43 -6.630 13.193 -0.689 1.00 0.00 C ATOM 380 O GLN A 43 -7.714 13.112 -0.114 1.00 0.00 O ATOM 381 CB GLN A 43 -5.801 15.570 -0.834 1.00 0.00 C ATOM 382 CG GLN A 43 -5.814 15.490 -2.362 1.00 0.00 C ATOM 383 CD GLN A 43 -4.400 15.623 -2.929 1.00 0.00 C ATOM 384 OE1 GLN A 43 -3.421 15.206 -2.332 1.00 0.00 O ATOM 385 NE2 GLN A 43 -4.347 16.225 -4.115 1.00 0.00 N ATOM 0 H GLN A 43 -3.589 14.406 -0.858 1.00 0.00 H new ATOM 0 HA GLN A 43 -5.657 14.295 0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -6.747 15.978 -0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -5.017 16.254 -0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -6.248 14.541 -2.676 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -6.448 16.280 -2.766 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.205 16.551 -4.560 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.449 16.361 -4.578 1.00 0.00 H new ATOM 392 N TYR A 44 -6.279 12.457 -1.734 1.00 0.00 N ATOM 393 CA TYR A 44 -7.186 11.468 -2.292 1.00 0.00 C ATOM 394 C TYR A 44 -6.544 10.742 -3.476 1.00 0.00 C ATOM 395 O TYR A 44 -6.472 9.514 -3.490 1.00 0.00 O ATOM 396 CB TYR A 44 -8.406 12.247 -2.788 1.00 0.00 C ATOM 397 CG TYR A 44 -9.742 11.703 -2.277 1.00 0.00 C ATOM 398 CD1 TYR A 44 -9.855 11.263 -0.974 1.00 0.00 C ATOM 399 CD2 TYR A 44 -10.833 11.650 -3.120 1.00 0.00 C ATOM 400 CE1 TYR A 44 -11.112 10.750 -0.494 1.00 0.00 C ATOM 401 CE2 TYR A 44 -12.090 11.137 -2.641 1.00 0.00 C ATOM 402 CZ TYR A 44 -12.167 10.713 -1.350 1.00 0.00 C ATOM 403 OH TYR A 44 -13.354 10.228 -0.897 1.00 0.00 O ATOM 0 H TYR A 44 -5.379 12.526 -2.209 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.444 10.719 -1.544 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -8.308 13.288 -2.481 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.413 12.235 -3.878 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.001 11.303 -0.314 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.744 11.994 -4.140 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -11.214 10.402 0.523 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -12.951 11.090 -3.291 1.00 0.00 H new ATOM 0 HH TYR A 44 -14.018 10.263 -1.617 1.00 0.00 H new ATOM 412 N CYS A 45 -6.094 11.532 -4.440 1.00 0.00 N ATOM 413 CA CYS A 45 -5.461 10.979 -5.625 1.00 0.00 C ATOM 414 C CYS A 45 -6.546 10.351 -6.501 1.00 0.00 C ATOM 415 O CYS A 45 -6.524 9.148 -6.756 1.00 0.00 O ATOM 416 CB CYS A 45 -4.365 9.973 -5.265 1.00 0.00 C ATOM 417 SG CYS A 45 -3.567 10.257 -3.642 1.00 0.00 S ATOM 0 H CYS A 45 -6.155 12.550 -4.424 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.964 11.775 -6.179 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.794 8.971 -5.273 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.599 9.998 -6.040 1.00 0.00 H new ATOM 421 N HIS A 46 -7.470 11.194 -6.939 1.00 0.00 N ATOM 422 CA HIS A 46 -8.562 10.736 -7.781 1.00 0.00 C ATOM 423 C HIS A 46 -8.823 11.762 -8.886 1.00 0.00 C ATOM 424 O HIS A 46 -9.604 12.695 -8.701 1.00 0.00 O ATOM 425 CB HIS A 46 -9.807 10.439 -6.943 1.00 0.00 C ATOM 426 CG HIS A 46 -11.109 10.737 -7.648 1.00 0.00 C ATOM 427 ND1 HIS A 46 -12.262 11.100 -6.974 1.00 0.00 N ATOM 428 CD2 HIS A 46 -11.426 10.725 -8.975 1.00 0.00 C ATOM 429 CE1 HIS A 46 -13.224 11.293 -7.864 1.00 0.00 C ATOM 430 NE2 HIS A 46 -12.705 11.059 -9.103 1.00 0.00 N ATOM 0 H HIS A 46 -7.485 12.192 -6.726 1.00 0.00 H new ATOM 0 HA HIS A 46 -8.286 9.797 -8.261 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.795 9.388 -6.653 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -9.761 11.023 -6.024 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -10.752 10.485 -9.784 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -14.241 11.585 -7.646 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -13.215 11.129 -9.983 1.00 0.00 H new ATOM 437 N ARG A 47 -8.154 11.555 -10.010 1.00 0.00 N ATOM 438 CA ARG A 47 -8.303 12.450 -11.145 1.00 0.00 C ATOM 439 C ARG A 47 -9.784 12.736 -11.405 1.00 0.00 C ATOM 440 O ARG A 47 -10.271 13.824 -11.104 1.00 0.00 O ATOM 441 CB ARG A 47 -7.678 11.850 -12.406 1.00 0.00 C ATOM 442 CG ARG A 47 -7.774 10.323 -12.392 1.00 0.00 C ATOM 443 CD ARG A 47 -6.403 9.690 -12.141 1.00 0.00 C ATOM 444 NE ARG A 47 -5.725 9.424 -13.429 1.00 0.00 N ATOM 445 CZ ARG A 47 -6.169 8.555 -14.347 1.00 0.00 C ATOM 446 NH1 ARG A 47 -7.294 7.863 -14.125 1.00 0.00 N ATOM 447 NH2 ARG A 47 -5.487 8.379 -15.488 1.00 0.00 N ATOM 0 H ARG A 47 -7.507 10.781 -10.159 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.786 13.379 -10.904 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.184 12.242 -13.289 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.633 12.152 -12.477 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.472 10.006 -11.617 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.172 9.971 -13.344 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.793 10.355 -11.530 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.519 8.761 -11.583 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.865 9.934 -13.631 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.813 7.998 -13.257 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.632 7.201 -14.824 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.631 8.907 -15.657 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.825 7.717 -16.187 1.00 0.00 H new ATOM 458 N THR A 48 -10.457 11.740 -11.961 1.00 0.00 N ATOM 459 CA THR A 48 -11.872 11.870 -12.265 1.00 0.00 C ATOM 460 C THR A 48 -12.515 10.490 -12.414 1.00 0.00 C ATOM 461 O THR A 48 -13.451 10.155 -11.689 1.00 0.00 O ATOM 462 CB THR A 48 -12.009 12.743 -13.515 1.00 0.00 C ATOM 463 OG1 THR A 48 -10.692 13.242 -13.735 1.00 0.00 O ATOM 464 CG2 THR A 48 -12.847 13.999 -13.263 1.00 0.00 C ATOM 0 H THR A 48 -10.049 10.839 -12.209 1.00 0.00 H new ATOM 0 HA THR A 48 -12.408 12.357 -11.450 1.00 0.00 H new ATOM 0 HB THR A 48 -12.461 12.160 -14.318 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.688 13.817 -14.528 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.913 14.583 -14.181 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.848 13.710 -12.944 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.377 14.600 -12.484 1.00 0.00 H new ATOM 472 N THR A 49 -11.987 9.727 -13.360 1.00 0.00 N ATOM 473 CA THR A 49 -12.498 8.390 -13.614 1.00 0.00 C ATOM 474 C THR A 49 -14.010 8.343 -13.380 1.00 0.00 C ATOM 475 O THR A 49 -14.506 7.469 -12.673 1.00 0.00 O ATOM 476 CB THR A 49 -11.718 7.411 -12.735 1.00 0.00 C ATOM 477 OG1 THR A 49 -11.979 6.136 -13.318 1.00 0.00 O ATOM 478 CG2 THR A 49 -12.298 7.300 -11.323 1.00 0.00 C ATOM 0 H THR A 49 -11.211 10.009 -13.959 1.00 0.00 H new ATOM 0 HA THR A 49 -12.352 8.103 -14.655 1.00 0.00 H new ATOM 0 HB THR A 49 -10.677 7.728 -12.676 1.00 0.00 H new ATOM 0 HG1 THR A 49 -12.934 5.930 -13.240 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.707 6.592 -10.741 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.272 8.277 -10.841 1.00 0.00 H new ATOM 0 HG23 THR A 49 -13.329 6.951 -11.380 1.00 0.00 H new ATOM 486 N ILE A 50 -14.700 9.297 -13.990 1.00 0.00 N ATOM 487 CA ILE A 50 -16.145 9.375 -13.858 1.00 0.00 C ATOM 488 C ILE A 50 -16.512 9.481 -12.376 1.00 0.00 C ATOM 489 O ILE A 50 -15.688 9.200 -11.507 1.00 0.00 O ATOM 490 CB ILE A 50 -16.813 8.201 -14.575 1.00 0.00 C ATOM 491 CG1 ILE A 50 -17.934 8.687 -15.496 1.00 0.00 C ATOM 492 CG2 ILE A 50 -17.307 7.156 -13.573 1.00 0.00 C ATOM 493 CD1 ILE A 50 -18.509 7.531 -16.318 1.00 0.00 C ATOM 0 H ILE A 50 -14.285 10.021 -14.576 1.00 0.00 H new ATOM 0 HA ILE A 50 -16.524 10.273 -14.346 1.00 0.00 H new ATOM 0 HB ILE A 50 -16.067 7.716 -15.204 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -18.725 9.144 -14.902 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -17.551 9.458 -16.165 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -17.778 6.332 -14.109 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -16.463 6.778 -12.996 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -18.032 7.612 -12.899 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -19.304 7.904 -16.964 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -17.721 7.092 -16.929 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -18.913 6.773 -15.647 1.00 0.00 H new ATOM 504 N GLY A 51 -17.750 9.886 -12.133 1.00 0.00 N ATOM 505 CA GLY A 51 -18.237 10.031 -10.772 1.00 0.00 C ATOM 506 C GLY A 51 -19.049 8.808 -10.346 1.00 0.00 C ATOM 507 O GLY A 51 -18.533 7.690 -10.331 1.00 0.00 O ATOM 0 H GLY A 51 -18.431 10.118 -12.856 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.395 10.167 -10.093 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.855 10.926 -10.697 1.00 0.00 H new ATOM 511 N ASN A 52 -20.305 9.058 -10.010 1.00 0.00 N ATOM 512 CA ASN A 52 -21.194 7.991 -9.584 1.00 0.00 C ATOM 513 C ASN A 52 -20.550 7.230 -8.423 1.00 0.00 C ATOM 514 O ASN A 52 -20.888 6.075 -8.170 1.00 0.00 O ATOM 515 CB ASN A 52 -21.443 6.996 -10.721 1.00 0.00 C ATOM 516 CG ASN A 52 -22.672 6.131 -10.432 1.00 0.00 C ATOM 517 OD1 ASN A 52 -22.662 5.260 -9.578 1.00 0.00 O ATOM 518 ND2 ASN A 52 -23.726 6.419 -11.190 1.00 0.00 N ATOM 0 H ASN A 52 -20.729 9.986 -10.024 1.00 0.00 H new ATOM 0 HA ASN A 52 -22.141 8.440 -9.283 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -21.586 7.536 -11.657 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -20.568 6.359 -10.850 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -24.595 5.897 -11.075 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -23.666 7.162 -11.887 1.00 0.00 H new ATOM 524 N PHE A 53 -19.634 7.908 -7.748 1.00 0.00 N ATOM 525 CA PHE A 53 -18.941 7.312 -6.620 1.00 0.00 C ATOM 526 C PHE A 53 -18.539 5.867 -6.925 1.00 0.00 C ATOM 527 O PHE A 53 -18.766 4.971 -6.114 1.00 0.00 O ATOM 528 CB PHE A 53 -19.915 7.318 -5.441 1.00 0.00 C ATOM 529 CG PHE A 53 -20.786 8.575 -5.360 1.00 0.00 C ATOM 530 CD1 PHE A 53 -20.293 9.770 -5.782 1.00 0.00 C ATOM 531 CD2 PHE A 53 -22.049 8.495 -4.867 1.00 0.00 C ATOM 532 CE1 PHE A 53 -21.101 10.937 -5.707 1.00 0.00 C ATOM 533 CE2 PHE A 53 -22.857 9.661 -4.792 1.00 0.00 C ATOM 534 CZ PHE A 53 -22.366 10.857 -5.213 1.00 0.00 C ATOM 0 H PHE A 53 -19.356 8.866 -7.961 1.00 0.00 H new ATOM 0 HA PHE A 53 -18.034 7.876 -6.401 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -20.562 6.444 -5.513 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -19.349 7.220 -4.515 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -19.288 9.832 -6.174 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -22.439 7.545 -4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -20.711 11.887 -6.042 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -23.862 9.597 -4.400 1.00 0.00 H new ATOM 0 HZ PHE A 53 -22.980 11.743 -5.155 1.00 0.00 H new ATOM 543 N SER A 54 -17.948 5.687 -8.098 1.00 0.00 N ATOM 544 CA SER A 54 -17.513 4.366 -8.521 1.00 0.00 C ATOM 545 C SER A 54 -17.337 4.335 -10.041 1.00 0.00 C ATOM 546 O SER A 54 -16.257 4.020 -10.538 1.00 0.00 O ATOM 547 CB SER A 54 -18.507 3.290 -8.079 1.00 0.00 C ATOM 548 OG SER A 54 -18.080 2.623 -6.893 1.00 0.00 O ATOM 0 H SER A 54 -17.760 6.433 -8.768 1.00 0.00 H new ATOM 0 HA SER A 54 -16.555 4.153 -8.046 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.482 3.746 -7.907 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.632 2.561 -8.880 1.00 0.00 H new ATOM 0 HG SER A 54 -18.132 3.240 -6.134 1.00 0.00 H new ATOM 553 N GLY A 55 -18.416 4.664 -10.735 1.00 0.00 N ATOM 554 CA GLY A 55 -18.396 4.677 -12.188 1.00 0.00 C ATOM 555 C GLY A 55 -19.175 3.492 -12.759 1.00 0.00 C ATOM 556 O GLY A 55 -19.585 2.599 -12.018 1.00 0.00 O ATOM 0 H GLY A 55 -19.310 4.924 -10.318 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.827 5.609 -12.553 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.365 4.643 -12.541 1.00 0.00 H new ATOM 560 N PRO A 56 -19.362 3.521 -14.106 1.00 0.00 N ATOM 561 CA PRO A 56 -20.087 2.459 -14.785 1.00 0.00 C ATOM 562 C PRO A 56 -19.230 1.197 -14.897 1.00 0.00 C ATOM 563 O PRO A 56 -19.513 0.191 -14.246 1.00 0.00 O ATOM 564 CB PRO A 56 -20.465 3.043 -16.136 1.00 0.00 C ATOM 565 CG PRO A 56 -19.545 4.234 -16.348 1.00 0.00 C ATOM 566 CD PRO A 56 -18.892 4.562 -15.015 1.00 0.00 C ATOM 0 HA PRO A 56 -20.976 2.141 -14.241 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -20.339 2.306 -16.929 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -21.511 3.350 -16.150 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.788 4.003 -17.097 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -20.109 5.091 -16.718 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.805 4.557 -15.095 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -19.181 5.553 -14.666 1.00 0.00 H new ATOM 571 N TYR A 57 -18.202 1.290 -15.726 1.00 0.00 N ATOM 572 CA TYR A 57 -17.303 0.167 -15.932 1.00 0.00 C ATOM 573 C TYR A 57 -16.822 -0.402 -14.596 1.00 0.00 C ATOM 574 O TYR A 57 -17.128 0.144 -13.537 1.00 0.00 O ATOM 575 CB TYR A 57 -16.100 0.724 -16.696 1.00 0.00 C ATOM 576 CG TYR A 57 -15.055 -0.329 -17.066 1.00 0.00 C ATOM 577 CD1 TYR A 57 -15.262 -1.154 -18.154 1.00 0.00 C ATOM 578 CD2 TYR A 57 -13.905 -0.455 -16.313 1.00 0.00 C ATOM 579 CE1 TYR A 57 -14.278 -2.147 -18.502 1.00 0.00 C ATOM 580 CE2 TYR A 57 -12.922 -1.448 -16.662 1.00 0.00 C ATOM 581 CZ TYR A 57 -13.157 -2.245 -17.739 1.00 0.00 C ATOM 582 OH TYR A 57 -12.227 -3.181 -18.068 1.00 0.00 O ATOM 0 H TYR A 57 -17.971 2.126 -16.263 1.00 0.00 H new ATOM 0 HA TYR A 57 -17.808 -0.634 -16.472 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -16.453 1.206 -17.608 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -15.624 1.496 -16.091 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -16.161 -1.055 -18.744 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.742 0.191 -15.463 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -14.427 -2.799 -19.350 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -12.018 -1.557 -16.081 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.338 -2.865 -17.804 1.00 0.00 H new ATOM 591 N THR A 58 -16.078 -1.495 -14.688 1.00 0.00 N ATOM 592 CA THR A 58 -15.553 -2.145 -13.499 1.00 0.00 C ATOM 593 C THR A 58 -14.065 -1.832 -13.334 1.00 0.00 C ATOM 594 O THR A 58 -13.236 -2.740 -13.285 1.00 0.00 O ATOM 595 CB THR A 58 -15.850 -3.642 -13.609 1.00 0.00 C ATOM 596 OG1 THR A 58 -17.266 -3.727 -13.466 1.00 0.00 O ATOM 597 CG2 THR A 58 -15.307 -4.435 -12.419 1.00 0.00 C ATOM 0 H THR A 58 -15.826 -1.947 -15.567 1.00 0.00 H new ATOM 0 HA THR A 58 -16.035 -1.768 -12.597 1.00 0.00 H new ATOM 0 HB THR A 58 -15.419 -4.031 -14.532 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.545 -4.664 -13.527 1.00 0.00 H new ATOM 0 HG21 THR A 58 -15.545 -5.491 -12.547 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.226 -4.311 -12.362 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.763 -4.069 -11.499 1.00 0.00 H new ATOM 605 N TYR A 59 -13.770 -0.542 -13.251 1.00 0.00 N ATOM 606 CA TYR A 59 -12.396 -0.097 -13.092 1.00 0.00 C ATOM 607 C TYR A 59 -11.951 -0.204 -11.633 1.00 0.00 C ATOM 608 O TYR A 59 -12.771 -0.436 -10.745 1.00 0.00 O ATOM 609 CB TYR A 59 -12.377 1.373 -13.513 1.00 0.00 C ATOM 610 CG TYR A 59 -11.143 1.773 -14.325 1.00 0.00 C ATOM 611 CD1 TYR A 59 -10.880 1.152 -15.529 1.00 0.00 C ATOM 612 CD2 TYR A 59 -10.295 2.754 -13.853 1.00 0.00 C ATOM 613 CE1 TYR A 59 -9.718 1.528 -16.293 1.00 0.00 C ATOM 614 CE2 TYR A 59 -9.134 3.130 -14.618 1.00 0.00 C ATOM 615 CZ TYR A 59 -8.903 2.499 -15.800 1.00 0.00 C ATOM 616 OH TYR A 59 -7.806 2.854 -16.521 1.00 0.00 O ATOM 0 H TYR A 59 -14.459 0.209 -13.291 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.722 -0.711 -13.690 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -13.270 1.583 -14.102 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.429 1.996 -12.620 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.545 0.385 -15.898 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.502 3.239 -12.911 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.499 1.050 -17.236 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.462 3.896 -14.261 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.318 3.560 -16.048 1.00 0.00 H new ATOM 625 N CYS A 60 -10.654 -0.029 -11.428 1.00 0.00 N ATOM 626 CA CYS A 60 -10.090 -0.103 -10.091 1.00 0.00 C ATOM 627 C CYS A 60 -10.306 1.247 -9.404 1.00 0.00 C ATOM 628 O CYS A 60 -10.417 2.276 -10.069 1.00 0.00 O ATOM 629 CB CYS A 60 -8.612 -0.497 -10.121 1.00 0.00 C ATOM 630 SG CYS A 60 -8.297 -2.270 -10.450 1.00 0.00 S ATOM 0 H CYS A 60 -9.977 0.164 -12.166 1.00 0.00 H new ATOM 0 HA CYS A 60 -10.595 -0.885 -9.523 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -8.108 0.095 -10.885 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.161 -0.234 -9.164 1.00 0.00 H new ATOM 634 N ASN A 61 -10.359 1.200 -8.081 1.00 0.00 N ATOM 635 CA ASN A 61 -10.561 2.407 -7.296 1.00 0.00 C ATOM 636 C ASN A 61 -9.222 2.855 -6.707 1.00 0.00 C ATOM 637 O ASN A 61 -8.234 2.126 -6.774 1.00 0.00 O ATOM 638 CB ASN A 61 -11.527 2.155 -6.138 1.00 0.00 C ATOM 639 CG ASN A 61 -12.021 3.473 -5.539 1.00 0.00 C ATOM 640 OD1 ASN A 61 -12.023 4.513 -6.178 1.00 0.00 O ATOM 641 ND2 ASN A 61 -12.438 3.374 -4.281 1.00 0.00 N ATOM 0 H ASN A 61 -10.266 0.345 -7.532 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.977 3.172 -7.952 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.377 1.570 -6.490 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.031 1.565 -5.368 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.786 4.199 -3.793 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.410 2.473 -3.804 1.00 0.00 H new ATOM 647 N THR A 62 -9.233 4.053 -6.142 1.00 0.00 N ATOM 648 CA THR A 62 -8.032 4.609 -5.542 1.00 0.00 C ATOM 649 C THR A 62 -8.013 4.334 -4.036 1.00 0.00 C ATOM 650 O THR A 62 -9.051 4.391 -3.379 1.00 0.00 O ATOM 651 CB THR A 62 -7.973 6.097 -5.889 1.00 0.00 C ATOM 652 OG1 THR A 62 -6.653 6.488 -5.525 1.00 0.00 O ATOM 653 CG2 THR A 62 -8.874 6.944 -4.986 1.00 0.00 C ATOM 0 H THR A 62 -10.055 4.655 -6.087 1.00 0.00 H new ATOM 0 HA THR A 62 -7.135 4.134 -5.940 1.00 0.00 H new ATOM 0 HB THR A 62 -8.264 6.238 -6.930 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.098 5.690 -5.402 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.795 7.992 -5.274 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.908 6.615 -5.092 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.561 6.828 -3.948 1.00 0.00 H new ATOM 661 N THR A 63 -6.822 4.042 -3.535 1.00 0.00 N ATOM 662 CA THR A 63 -6.654 3.759 -2.119 1.00 0.00 C ATOM 663 C THR A 63 -5.170 3.623 -1.776 1.00 0.00 C ATOM 664 O THR A 63 -4.347 3.364 -2.652 1.00 0.00 O ATOM 665 CB THR A 63 -7.473 2.511 -1.787 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.666 3.023 -1.202 1.00 0.00 O ATOM 667 CG2 THR A 63 -6.839 1.675 -0.672 1.00 0.00 C ATOM 0 H THR A 63 -5.964 3.995 -4.084 1.00 0.00 H new ATOM 0 HA THR A 63 -7.023 4.580 -1.504 1.00 0.00 H new ATOM 0 HB THR A 63 -7.582 1.899 -2.683 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.979 3.794 -1.720 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.460 0.801 -0.475 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.845 1.352 -0.980 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.761 2.276 0.234 1.00 0.00 H new ATOM 675 N LEU A 64 -4.873 3.802 -0.496 1.00 0.00 N ATOM 676 CA LEU A 64 -3.503 3.703 -0.025 1.00 0.00 C ATOM 677 C LEU A 64 -3.257 2.295 0.522 1.00 0.00 C ATOM 678 O LEU A 64 -4.203 1.565 0.813 1.00 0.00 O ATOM 679 CB LEU A 64 -3.199 4.815 0.980 1.00 0.00 C ATOM 680 CG LEU A 64 -4.036 4.809 2.261 1.00 0.00 C ATOM 681 CD1 LEU A 64 -3.342 4.008 3.365 1.00 0.00 C ATOM 682 CD2 LEU A 64 -4.366 6.234 2.707 1.00 0.00 C ATOM 0 H LEU A 64 -5.559 4.015 0.228 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.806 3.852 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.147 4.750 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.339 5.775 0.483 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.982 4.312 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.957 4.019 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.202 2.979 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.372 4.454 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.961 6.201 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.441 6.779 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.931 6.739 1.923 1.00 0.00 H new ATOM 693 N ASP A 65 -1.982 1.958 0.646 1.00 0.00 N ATOM 694 CA ASP A 65 -1.601 0.651 1.154 1.00 0.00 C ATOM 695 C ASP A 65 -0.971 0.810 2.539 1.00 0.00 C ATOM 696 O ASP A 65 -1.207 1.805 3.222 1.00 0.00 O ATOM 697 CB ASP A 65 -0.570 -0.016 0.240 1.00 0.00 C ATOM 698 CG ASP A 65 -0.660 -1.542 0.169 1.00 0.00 C ATOM 699 OD1 ASP A 65 -1.564 -2.089 0.837 1.00 0.00 O ATOM 700 OD2 ASP A 65 0.177 -2.127 -0.552 1.00 0.00 O ATOM 0 H ASP A 65 -1.200 2.567 0.404 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.498 0.033 1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.684 0.387 -0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.428 0.259 0.582 1.00 0.00 H new ATOM 704 N GLN A 66 -0.180 -0.185 2.913 1.00 0.00 N ATOM 705 CA GLN A 66 0.485 -0.167 4.204 1.00 0.00 C ATOM 706 C GLN A 66 1.756 0.681 4.135 1.00 0.00 C ATOM 707 O GLN A 66 2.357 0.992 5.163 1.00 0.00 O ATOM 708 CB GLN A 66 0.801 -1.588 4.678 1.00 0.00 C ATOM 709 CG GLN A 66 0.128 -1.879 6.022 1.00 0.00 C ATOM 710 CD GLN A 66 0.969 -1.344 7.183 1.00 0.00 C ATOM 711 OE1 GLN A 66 1.514 -0.253 7.136 1.00 0.00 O ATOM 712 NE2 GLN A 66 1.043 -2.169 8.223 1.00 0.00 N ATOM 0 H GLN A 66 0.015 -1.009 2.344 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.190 0.283 4.932 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.461 -2.308 3.933 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.880 -1.712 4.773 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.861 -1.422 6.044 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.015 -2.954 6.136 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.562 -3.068 8.196 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.581 -1.903 9.048 1.00 0.00 H new ATOM 719 N ILE A 67 2.129 1.033 2.913 1.00 0.00 N ATOM 720 CA ILE A 67 3.317 1.841 2.696 1.00 0.00 C ATOM 721 C ILE A 67 2.903 3.290 2.432 1.00 0.00 C ATOM 722 O ILE A 67 3.503 3.968 1.599 1.00 0.00 O ATOM 723 CB ILE A 67 4.181 1.235 1.587 1.00 0.00 C ATOM 724 CG1 ILE A 67 3.422 1.198 0.260 1.00 0.00 C ATOM 725 CG2 ILE A 67 4.701 -0.146 1.989 1.00 0.00 C ATOM 726 CD1 ILE A 67 4.376 1.379 -0.922 1.00 0.00 C ATOM 0 H ILE A 67 1.629 0.773 2.063 1.00 0.00 H new ATOM 0 HA ILE A 67 3.942 1.847 3.589 1.00 0.00 H new ATOM 0 HB ILE A 67 5.051 1.876 1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.895 0.249 0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.667 1.984 0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.312 -0.554 1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.304 -0.059 2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.858 -0.811 2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.811 1.349 -1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.883 2.340 -0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.115 0.577 -0.920 1.00 0.00 H new ATOM 737 N GLY A 68 1.881 3.721 3.156 1.00 0.00 N ATOM 738 CA GLY A 68 1.380 5.077 3.011 1.00 0.00 C ATOM 739 C GLY A 68 1.524 5.562 1.566 1.00 0.00 C ATOM 740 O GLY A 68 1.970 6.682 1.326 1.00 0.00 O ATOM 0 H GLY A 68 1.386 3.155 3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.332 5.115 3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.926 5.744 3.679 1.00 0.00 H new ATOM 744 N THR A 69 1.136 4.694 0.643 1.00 0.00 N ATOM 745 CA THR A 69 1.216 5.020 -0.771 1.00 0.00 C ATOM 746 C THR A 69 -0.175 4.983 -1.406 1.00 0.00 C ATOM 747 O THR A 69 -0.759 3.913 -1.570 1.00 0.00 O ATOM 748 CB THR A 69 2.208 4.054 -1.423 1.00 0.00 C ATOM 749 OG1 THR A 69 3.451 4.359 -0.798 1.00 0.00 O ATOM 750 CG2 THR A 69 2.446 4.370 -2.902 1.00 0.00 C ATOM 0 H THR A 69 0.766 3.766 0.847 1.00 0.00 H new ATOM 0 HA THR A 69 1.581 6.036 -0.923 1.00 0.00 H new ATOM 0 HB THR A 69 1.839 3.033 -1.325 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.480 3.947 0.091 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.157 3.656 -3.317 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.503 4.301 -3.445 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.847 5.379 -2.999 1.00 0.00 H new ATOM 758 N CYS A 70 -0.666 6.166 -1.746 1.00 0.00 N ATOM 759 CA CYS A 70 -1.978 6.283 -2.361 1.00 0.00 C ATOM 760 C CYS A 70 -1.862 5.863 -3.826 1.00 0.00 C ATOM 761 O CYS A 70 -1.074 6.435 -4.579 1.00 0.00 O ATOM 762 CB CYS A 70 -2.547 7.695 -2.214 1.00 0.00 C ATOM 763 SG CYS A 70 -2.117 8.840 -3.575 1.00 0.00 S ATOM 0 H CYS A 70 -0.179 7.052 -1.607 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.681 5.624 -1.851 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -3.633 7.629 -2.143 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.191 8.119 -1.275 1.00 0.00 H new ATOM 767 N TRP A 71 -2.658 4.868 -4.189 1.00 0.00 N ATOM 768 CA TRP A 71 -2.653 4.364 -5.553 1.00 0.00 C ATOM 769 C TRP A 71 -3.903 4.897 -6.256 1.00 0.00 C ATOM 770 O TRP A 71 -5.022 4.670 -5.799 1.00 0.00 O ATOM 771 CB TRP A 71 -2.559 2.838 -5.573 1.00 0.00 C ATOM 772 CG TRP A 71 -1.359 2.277 -4.810 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.250 2.055 -3.492 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.094 1.874 -5.373 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.012 1.541 -3.167 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.715 1.427 -4.347 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.354 1.885 -6.706 1.00 0.00 C ATOM 778 CZ2 TRP A 71 2.019 0.959 -4.547 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.660 1.415 -6.888 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.486 0.962 -5.866 1.00 0.00 C ATOM 0 H TRP A 71 -3.311 4.397 -3.563 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.773 4.715 -6.092 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.473 2.423 -5.148 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.507 2.501 -6.608 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.033 2.254 -2.775 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.311 1.290 -2.233 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.261 2.229 -7.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.632 0.614 -3.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.054 1.404 -7.894 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.484 0.614 -6.089 1.00 0.00 H new ATOM 790 N PRO A 72 -3.665 5.613 -7.387 1.00 0.00 N ATOM 791 CA PRO A 72 -4.758 6.180 -8.159 1.00 0.00 C ATOM 792 C PRO A 72 -5.484 5.096 -8.958 1.00 0.00 C ATOM 793 O PRO A 72 -4.857 4.164 -9.458 1.00 0.00 O ATOM 794 CB PRO A 72 -4.111 7.235 -9.041 1.00 0.00 C ATOM 795 CG PRO A 72 -2.629 6.902 -9.071 1.00 0.00 C ATOM 796 CD PRO A 72 -2.353 5.903 -7.959 1.00 0.00 C ATOM 0 HA PRO A 72 -5.530 6.624 -7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.535 7.218 -10.045 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.279 8.235 -8.641 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.351 6.483 -10.038 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.032 7.803 -8.931 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.881 5.000 -8.346 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.678 6.319 -7.211 1.00 0.00 H new ATOM 801 N GLN A 73 -6.796 5.255 -9.053 1.00 0.00 N ATOM 802 CA GLN A 73 -7.614 4.301 -9.782 1.00 0.00 C ATOM 803 C GLN A 73 -6.879 3.820 -11.035 1.00 0.00 C ATOM 804 O GLN A 73 -6.050 4.541 -11.588 1.00 0.00 O ATOM 805 CB GLN A 73 -8.973 4.906 -10.141 1.00 0.00 C ATOM 806 CG GLN A 73 -8.803 6.192 -10.953 1.00 0.00 C ATOM 807 CD GLN A 73 -8.635 7.402 -10.033 1.00 0.00 C ATOM 808 OE1 GLN A 73 -9.590 8.038 -9.619 1.00 0.00 O ATOM 809 NE2 GLN A 73 -7.369 7.685 -9.737 1.00 0.00 N ATOM 0 H GLN A 73 -7.313 6.030 -8.637 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.795 3.440 -9.138 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.557 4.185 -10.713 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.533 5.118 -9.230 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.934 6.103 -11.605 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.671 6.337 -11.597 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.616 7.112 -10.117 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.152 8.475 -9.130 1.00 0.00 H new ATOM 816 N SER A 74 -7.212 2.606 -11.447 1.00 0.00 N ATOM 817 CA SER A 74 -6.594 2.020 -12.625 1.00 0.00 C ATOM 818 C SER A 74 -7.560 1.037 -13.289 1.00 0.00 C ATOM 819 O SER A 74 -8.730 0.964 -12.917 1.00 0.00 O ATOM 820 CB SER A 74 -5.283 1.316 -12.267 1.00 0.00 C ATOM 821 OG SER A 74 -4.435 2.139 -11.472 1.00 0.00 O ATOM 0 H SER A 74 -7.902 2.012 -10.987 1.00 0.00 H new ATOM 0 HA SER A 74 -6.364 2.823 -13.326 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.502 0.394 -11.728 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.761 1.035 -13.182 1.00 0.00 H new ATOM 0 HG SER A 74 -3.610 1.653 -11.263 1.00 0.00 H new ATOM 826 N ALA A 75 -7.034 0.306 -14.261 1.00 0.00 N ATOM 827 CA ALA A 75 -7.836 -0.669 -14.980 1.00 0.00 C ATOM 828 C ALA A 75 -7.642 -2.048 -14.347 1.00 0.00 C ATOM 829 O ALA A 75 -6.624 -2.303 -13.706 1.00 0.00 O ATOM 830 CB ALA A 75 -7.456 -0.648 -16.462 1.00 0.00 C ATOM 0 H ALA A 75 -6.063 0.369 -14.567 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.895 -0.421 -14.912 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.057 -1.379 -17.002 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.640 0.346 -16.871 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.400 -0.895 -16.570 1.00 0.00 H new ATOM 836 N PRO A 76 -8.660 -2.925 -14.557 1.00 0.00 N ATOM 837 CA PRO A 76 -8.611 -4.273 -14.015 1.00 0.00 C ATOM 838 C PRO A 76 -7.645 -5.151 -14.813 1.00 0.00 C ATOM 839 O PRO A 76 -7.403 -4.900 -15.993 1.00 0.00 O ATOM 840 CB PRO A 76 -10.047 -4.770 -14.067 1.00 0.00 C ATOM 841 CG PRO A 76 -10.765 -3.868 -15.058 1.00 0.00 C ATOM 842 CD PRO A 76 -9.880 -2.659 -15.313 1.00 0.00 C ATOM 0 HA PRO A 76 -8.230 -4.302 -12.994 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.088 -5.811 -14.386 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.514 -4.719 -13.083 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.960 -4.402 -15.988 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.731 -3.557 -14.661 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.669 -2.540 -16.376 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.360 -1.739 -14.979 1.00 0.00 H new ATOM 847 N GLY A 77 -7.119 -6.162 -14.138 1.00 0.00 N ATOM 848 CA GLY A 77 -6.185 -7.079 -14.770 1.00 0.00 C ATOM 849 C GLY A 77 -4.980 -6.327 -15.338 1.00 0.00 C ATOM 850 O GLY A 77 -4.624 -6.508 -16.501 1.00 0.00 O ATOM 0 H GLY A 77 -7.322 -6.367 -13.160 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.848 -7.818 -14.044 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.688 -7.623 -15.569 1.00 0.00 H new ATOM 854 N ALA A 78 -4.385 -5.500 -14.492 1.00 0.00 N ATOM 855 CA ALA A 78 -3.227 -4.720 -14.895 1.00 0.00 C ATOM 856 C ALA A 78 -2.048 -5.056 -13.980 1.00 0.00 C ATOM 857 O ALA A 78 -2.073 -6.064 -13.275 1.00 0.00 O ATOM 858 CB ALA A 78 -3.580 -3.232 -14.869 1.00 0.00 C ATOM 0 H ALA A 78 -4.683 -5.353 -13.528 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.933 -4.967 -15.915 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.712 -2.647 -15.171 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.403 -3.041 -15.557 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.877 -2.946 -13.860 1.00 0.00 H new ATOM 864 N LEU A 79 -1.043 -4.193 -14.022 1.00 0.00 N ATOM 865 CA LEU A 79 0.143 -4.385 -13.205 1.00 0.00 C ATOM 866 C LEU A 79 0.604 -3.034 -12.658 1.00 0.00 C ATOM 867 O LEU A 79 1.248 -2.260 -13.364 1.00 0.00 O ATOM 868 CB LEU A 79 1.222 -5.130 -13.996 1.00 0.00 C ATOM 869 CG LEU A 79 1.429 -6.600 -13.627 1.00 0.00 C ATOM 870 CD1 LEU A 79 1.921 -6.739 -12.184 1.00 0.00 C ATOM 871 CD2 LEU A 79 0.158 -7.413 -13.880 1.00 0.00 C ATOM 0 H LEU A 79 -1.026 -3.359 -14.609 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.083 -5.016 -12.346 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.972 -5.074 -15.055 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.169 -4.606 -13.864 1.00 0.00 H new ATOM 0 HG LEU A 79 2.206 -7.008 -14.273 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.060 -7.794 -11.947 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.869 -6.213 -12.071 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.184 -6.309 -11.505 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.332 -8.454 -13.609 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.656 -7.013 -13.276 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.109 -7.352 -14.935 1.00 0.00 H new ATOM 882 N VAL A 80 0.257 -2.791 -11.402 1.00 0.00 N ATOM 883 CA VAL A 80 0.627 -1.546 -10.751 1.00 0.00 C ATOM 884 C VAL A 80 1.833 -1.790 -9.841 1.00 0.00 C ATOM 885 O VAL A 80 1.796 -1.466 -8.655 1.00 0.00 O ATOM 886 CB VAL A 80 -0.577 -0.967 -10.005 1.00 0.00 C ATOM 887 CG1 VAL A 80 -0.214 0.351 -9.319 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.768 -0.786 -10.946 1.00 0.00 C ATOM 0 H VAL A 80 -0.276 -3.435 -10.818 1.00 0.00 H new ATOM 0 HA VAL A 80 0.923 -0.802 -11.491 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.867 -1.678 -9.231 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.087 0.741 -8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.591 0.179 -8.604 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.113 1.073 -10.067 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.611 -0.373 -10.391 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.495 -0.104 -11.752 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.049 -1.751 -11.367 1.00 0.00 H new ATOM 898 N GLU A 81 2.873 -2.361 -10.430 1.00 0.00 N ATOM 899 CA GLU A 81 4.087 -2.653 -9.688 1.00 0.00 C ATOM 900 C GLU A 81 5.133 -1.562 -9.928 1.00 0.00 C ATOM 901 O GLU A 81 5.400 -1.195 -11.071 1.00 0.00 O ATOM 902 CB GLU A 81 4.639 -4.031 -10.059 1.00 0.00 C ATOM 903 CG GLU A 81 4.833 -4.154 -11.572 1.00 0.00 C ATOM 904 CD GLU A 81 6.120 -4.915 -11.900 1.00 0.00 C ATOM 905 OE1 GLU A 81 7.173 -4.502 -11.370 1.00 0.00 O ATOM 906 OE2 GLU A 81 6.021 -5.891 -12.675 1.00 0.00 O ATOM 0 H GLU A 81 2.900 -2.629 -11.414 1.00 0.00 H new ATOM 0 HA GLU A 81 3.844 -2.669 -8.626 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.590 -4.194 -9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.956 -4.806 -9.712 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.979 -4.670 -12.011 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.869 -3.161 -12.019 1.00 0.00 H new ATOM 911 N ARG A 82 5.693 -1.072 -8.832 1.00 0.00 N ATOM 912 CA ARG A 82 6.702 -0.030 -8.909 1.00 0.00 C ATOM 913 C ARG A 82 8.096 -0.624 -8.695 1.00 0.00 C ATOM 914 O ARG A 82 8.388 -1.163 -7.628 1.00 0.00 O ATOM 915 CB ARG A 82 6.451 1.057 -7.862 1.00 0.00 C ATOM 916 CG ARG A 82 5.060 1.671 -8.030 1.00 0.00 C ATOM 917 CD ARG A 82 5.007 2.580 -9.260 1.00 0.00 C ATOM 918 NE ARG A 82 3.792 2.289 -10.052 1.00 0.00 N ATOM 919 CZ ARG A 82 3.461 2.927 -11.184 1.00 0.00 C ATOM 920 NH1 ARG A 82 4.255 3.895 -11.663 1.00 0.00 N ATOM 921 NH2 ARG A 82 2.339 2.596 -11.836 1.00 0.00 N ATOM 0 H ARG A 82 5.467 -1.378 -7.885 1.00 0.00 H new ATOM 0 HA ARG A 82 6.643 0.417 -9.901 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.547 0.633 -6.862 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.209 1.835 -7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.318 0.878 -8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.801 2.243 -7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.008 3.625 -8.950 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.896 2.429 -9.873 1.00 0.00 H new ATOM 0 HE ARG A 82 3.166 1.557 -9.716 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.110 4.146 -11.166 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.004 4.381 -12.524 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.736 1.858 -11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.087 3.081 -12.697 1.00 0.00 H new ATOM 932 N PRO A 83 8.942 -0.500 -9.752 1.00 0.00 N ATOM 933 CA PRO A 83 10.298 -1.018 -9.690 1.00 0.00 C ATOM 934 C PRO A 83 11.189 -0.120 -8.829 1.00 0.00 C ATOM 935 O PRO A 83 10.975 1.089 -8.759 1.00 0.00 O ATOM 936 CB PRO A 83 10.756 -1.096 -11.137 1.00 0.00 C ATOM 937 CG PRO A 83 9.820 -0.189 -11.920 1.00 0.00 C ATOM 938 CD PRO A 83 8.631 0.134 -11.031 1.00 0.00 C ATOM 0 HA PRO A 83 10.353 -1.998 -9.215 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.791 -0.769 -11.237 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.708 -2.120 -11.507 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.334 0.725 -12.217 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.490 -0.680 -12.835 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.501 1.210 -10.918 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.704 -0.256 -11.452 1.00 0.00 H new ATOM 943 N CYS A 84 12.168 -0.747 -8.194 1.00 0.00 N ATOM 944 CA CYS A 84 13.092 -0.020 -7.340 1.00 0.00 C ATOM 945 C CYS A 84 13.627 1.180 -8.123 1.00 0.00 C ATOM 946 O CYS A 84 13.567 1.202 -9.351 1.00 0.00 O ATOM 947 CB CYS A 84 14.222 -0.920 -6.833 1.00 0.00 C ATOM 948 SG CYS A 84 13.711 -2.169 -5.597 1.00 0.00 S ATOM 0 H CYS A 84 12.342 -1.750 -8.254 1.00 0.00 H new ATOM 0 HA CYS A 84 12.569 0.331 -6.451 1.00 0.00 H new ATOM 0 HB2 CYS A 84 14.669 -1.433 -7.684 1.00 0.00 H new ATOM 0 HB3 CYS A 84 14.999 -0.293 -6.396 1.00 0.00 H new ATOM 952 N PRO A 85 14.153 2.177 -7.361 1.00 0.00 N ATOM 953 CA PRO A 85 14.698 3.378 -7.970 1.00 0.00 C ATOM 954 C PRO A 85 16.061 3.099 -8.607 1.00 0.00 C ATOM 955 O PRO A 85 16.582 3.927 -9.353 1.00 0.00 O ATOM 956 CB PRO A 85 14.765 4.395 -6.843 1.00 0.00 C ATOM 957 CG PRO A 85 14.696 3.593 -5.553 1.00 0.00 C ATOM 958 CD PRO A 85 14.241 2.186 -5.904 1.00 0.00 C ATOM 0 HA PRO A 85 14.083 3.752 -8.789 1.00 0.00 H new ATOM 0 HB2 PRO A 85 15.687 4.974 -6.894 1.00 0.00 H new ATOM 0 HB3 PRO A 85 13.939 5.104 -6.907 1.00 0.00 H new ATOM 0 HG2 PRO A 85 15.671 3.569 -5.066 1.00 0.00 H new ATOM 0 HG3 PRO A 85 14.001 4.056 -4.852 1.00 0.00 H new ATOM 0 HD2 PRO A 85 14.950 1.440 -5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 85 13.278 1.956 -5.448 1.00 0.00 H new ATOM 963 N GLU A 86 16.599 1.931 -8.289 1.00 0.00 N ATOM 964 CA GLU A 86 17.892 1.533 -8.821 1.00 0.00 C ATOM 965 C GLU A 86 19.007 1.926 -7.851 1.00 0.00 C ATOM 966 O GLU A 86 18.745 2.247 -6.693 1.00 0.00 O ATOM 967 CB GLU A 86 18.126 2.142 -10.204 1.00 0.00 C ATOM 968 CG GLU A 86 18.979 1.217 -11.074 1.00 0.00 C ATOM 969 CD GLU A 86 18.229 0.813 -12.344 1.00 0.00 C ATOM 970 OE1 GLU A 86 17.106 0.282 -12.196 1.00 0.00 O ATOM 971 OE2 GLU A 86 18.792 1.046 -13.435 1.00 0.00 O ATOM 0 H GLU A 86 16.164 1.247 -7.670 1.00 0.00 H new ATOM 0 HA GLU A 86 17.901 0.449 -8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.168 2.324 -10.692 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.620 3.108 -10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.909 1.719 -11.341 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.249 0.326 -10.508 1.00 0.00 H new ATOM 976 N TYR A 87 20.231 1.886 -8.360 1.00 0.00 N ATOM 977 CA TYR A 87 21.389 2.235 -7.553 1.00 0.00 C ATOM 978 C TYR A 87 21.280 1.633 -6.151 1.00 0.00 C ATOM 979 O TYR A 87 21.859 2.157 -5.200 1.00 0.00 O ATOM 980 CB TYR A 87 21.382 3.761 -7.442 1.00 0.00 C ATOM 981 CG TYR A 87 22.528 4.328 -6.602 1.00 0.00 C ATOM 982 CD1 TYR A 87 23.797 3.799 -6.720 1.00 0.00 C ATOM 983 CD2 TYR A 87 22.292 5.369 -5.727 1.00 0.00 C ATOM 984 CE1 TYR A 87 24.876 4.334 -5.929 1.00 0.00 C ATOM 985 CE2 TYR A 87 23.370 5.904 -4.937 1.00 0.00 C ATOM 986 CZ TYR A 87 24.609 5.359 -5.076 1.00 0.00 C ATOM 987 OH TYR A 87 25.627 5.864 -4.329 1.00 0.00 O ATOM 0 H TYR A 87 20.446 1.617 -9.320 1.00 0.00 H new ATOM 0 HA TYR A 87 22.303 1.854 -8.008 1.00 0.00 H new ATOM 0 HB2 TYR A 87 21.433 4.188 -8.443 1.00 0.00 H new ATOM 0 HB3 TYR A 87 20.434 4.079 -7.008 1.00 0.00 H new ATOM 0 HD1 TYR A 87 23.981 2.984 -7.405 1.00 0.00 H new ATOM 0 HD2 TYR A 87 21.298 5.782 -5.635 1.00 0.00 H new ATOM 0 HE1 TYR A 87 25.874 3.930 -6.012 1.00 0.00 H new ATOM 0 HE2 TYR A 87 23.199 6.719 -4.250 1.00 0.00 H new ATOM 0 HH TYR A 87 25.290 6.592 -3.766 1.00 0.00 H new ATOM 996 N PHE A 88 20.535 0.541 -6.066 1.00 0.00 N ATOM 997 CA PHE A 88 20.344 -0.138 -4.796 1.00 0.00 C ATOM 998 C PHE A 88 21.106 -1.464 -4.763 1.00 0.00 C ATOM 999 O PHE A 88 22.141 -1.573 -4.108 1.00 0.00 O ATOM 1000 CB PHE A 88 18.846 -0.421 -4.661 1.00 0.00 C ATOM 1001 CG PHE A 88 18.521 -1.706 -3.896 1.00 0.00 C ATOM 1002 CD1 PHE A 88 18.725 -1.767 -2.553 1.00 0.00 C ATOM 1003 CD2 PHE A 88 18.030 -2.786 -4.560 1.00 0.00 C ATOM 1004 CE1 PHE A 88 18.424 -2.960 -1.844 1.00 0.00 C ATOM 1005 CE2 PHE A 88 17.729 -3.978 -3.850 1.00 0.00 C ATOM 1006 CZ PHE A 88 17.933 -4.040 -2.507 1.00 0.00 C ATOM 0 H PHE A 88 20.056 0.109 -6.856 1.00 0.00 H new ATOM 0 HA PHE A 88 20.716 0.484 -3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 88 18.372 0.420 -4.155 1.00 0.00 H new ATOM 0 HB3 PHE A 88 18.407 -0.483 -5.657 1.00 0.00 H new ATOM 0 HD1 PHE A 88 19.116 -0.909 -2.026 1.00 0.00 H new ATOM 0 HD2 PHE A 88 17.869 -2.737 -5.627 1.00 0.00 H new ATOM 0 HE1 PHE A 88 18.585 -3.009 -0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 88 17.338 -4.836 -4.377 1.00 0.00 H new ATOM 0 HZ PHE A 88 17.705 -4.947 -1.967 1.00 0.00 H new ATOM 1015 N ASN A 89 20.564 -2.440 -5.477 1.00 0.00 N ATOM 1016 CA ASN A 89 21.180 -3.754 -5.537 1.00 0.00 C ATOM 1017 C ASN A 89 21.919 -4.027 -4.225 1.00 0.00 C ATOM 1018 O ASN A 89 23.131 -4.238 -4.224 1.00 0.00 O ATOM 1019 CB ASN A 89 22.196 -3.834 -6.678 1.00 0.00 C ATOM 1020 CG ASN A 89 21.516 -4.230 -7.990 1.00 0.00 C ATOM 1021 OD1 ASN A 89 21.721 -5.306 -8.527 1.00 0.00 O ATOM 1022 ND2 ASN A 89 20.697 -3.300 -8.476 1.00 0.00 N ATOM 0 H ASN A 89 19.705 -2.347 -6.019 1.00 0.00 H new ATOM 0 HA ASN A 89 20.392 -4.489 -5.704 1.00 0.00 H new ATOM 0 HB2 ASN A 89 22.691 -2.870 -6.797 1.00 0.00 H new ATOM 0 HB3 ASN A 89 22.969 -4.561 -6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 89 20.196 -3.467 -9.349 1.00 0.00 H new ATOM 0 HD22 ASN A 89 20.571 -2.420 -7.976 1.00 0.00 H new ATOM 1028 N GLY A 90 21.159 -4.015 -3.141 1.00 0.00 N ATOM 1029 CA GLY A 90 21.727 -4.258 -1.825 1.00 0.00 C ATOM 1030 C GLY A 90 21.052 -3.383 -0.767 1.00 0.00 C ATOM 1031 O GLY A 90 20.356 -3.889 0.112 1.00 0.00 O ATOM 0 H GLY A 90 20.154 -3.841 -3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 90 21.609 -5.309 -1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 90 22.797 -4.053 -1.843 1.00 0.00 H new ATOM 1035 N ILE A 91 21.284 -2.083 -0.885 1.00 0.00 N ATOM 1036 CA ILE A 91 20.708 -1.133 0.051 1.00 0.00 C ATOM 1037 C ILE A 91 21.266 0.263 -0.237 1.00 0.00 C ATOM 1038 O ILE A 91 22.383 0.583 0.164 1.00 0.00 O ATOM 1039 CB ILE A 91 20.930 -1.597 1.491 1.00 0.00 C ATOM 1040 CG1 ILE A 91 20.583 -0.488 2.485 1.00 0.00 C ATOM 1041 CG2 ILE A 91 22.356 -2.116 1.687 1.00 0.00 C ATOM 1042 CD1 ILE A 91 19.077 -0.442 2.753 1.00 0.00 C ATOM 0 H ILE A 91 21.863 -1.666 -1.614 1.00 0.00 H new ATOM 0 HA ILE A 91 19.627 -1.079 -0.079 1.00 0.00 H new ATOM 0 HB ILE A 91 20.254 -2.429 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 91 21.117 -0.653 3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 91 20.916 0.473 2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 91 22.487 -2.439 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 91 22.532 -2.958 1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 91 23.067 -1.320 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 91 18.858 0.355 3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 91 18.547 -0.252 1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 91 18.752 -1.396 3.167 1.00 0.00 H new ATOM 1053 N LYS A 92 20.462 1.055 -0.931 1.00 0.00 N ATOM 1054 CA LYS A 92 20.861 2.408 -1.278 1.00 0.00 C ATOM 1055 C LYS A 92 19.746 3.072 -2.090 1.00 0.00 C ATOM 1056 O LYS A 92 20.018 3.819 -3.029 1.00 0.00 O ATOM 1057 CB LYS A 92 22.217 2.402 -1.986 1.00 0.00 C ATOM 1058 CG LYS A 92 23.100 3.549 -1.490 1.00 0.00 C ATOM 1059 CD LYS A 92 23.924 3.119 -0.274 1.00 0.00 C ATOM 1060 CE LYS A 92 23.306 3.649 1.023 1.00 0.00 C ATOM 1061 NZ LYS A 92 24.321 3.697 2.098 1.00 0.00 N ATOM 0 H LYS A 92 19.536 0.785 -1.262 1.00 0.00 H new ATOM 0 HA LYS A 92 21.000 3.007 -0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 92 22.719 1.450 -1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 92 22.070 2.491 -3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 92 23.766 3.872 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 92 22.478 4.405 -1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 92 23.982 2.031 -0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 92 24.945 3.489 -0.373 1.00 0.00 H new ATOM 0 HE2 LYS A 92 22.896 4.645 0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 92 22.477 3.009 1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 23.886 4.059 2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 24.693 2.741 2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 25.099 4.326 1.813 1.00 0.00 H new ATOM 1071 N TYR A 93 18.516 2.774 -1.700 1.00 0.00 N ATOM 1072 CA TYR A 93 17.360 3.332 -2.379 1.00 0.00 C ATOM 1073 C TYR A 93 16.836 4.569 -1.645 1.00 0.00 C ATOM 1074 O TYR A 93 17.164 4.789 -0.480 1.00 0.00 O ATOM 1075 CB TYR A 93 16.287 2.243 -2.350 1.00 0.00 C ATOM 1076 CG TYR A 93 15.975 1.714 -0.948 1.00 0.00 C ATOM 1077 CD1 TYR A 93 15.327 2.520 -0.035 1.00 0.00 C ATOM 1078 CD2 TYR A 93 16.343 0.432 -0.597 1.00 0.00 C ATOM 1079 CE1 TYR A 93 15.034 2.022 1.284 1.00 0.00 C ATOM 1080 CE2 TYR A 93 16.052 -0.067 0.722 1.00 0.00 C ATOM 1081 CZ TYR A 93 15.410 0.754 1.597 1.00 0.00 C ATOM 1082 OH TYR A 93 15.134 0.283 2.843 1.00 0.00 O ATOM 0 H TYR A 93 18.295 2.153 -0.922 1.00 0.00 H new ATOM 0 HA TYR A 93 17.620 3.635 -3.393 1.00 0.00 H new ATOM 0 HB2 TYR A 93 15.371 2.638 -2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 93 16.610 1.412 -2.977 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.040 3.524 -0.309 1.00 0.00 H new ATOM 0 HD2 TYR A 93 16.850 -0.198 -1.312 1.00 0.00 H new ATOM 0 HE1 TYR A 93 14.527 2.642 2.008 1.00 0.00 H new ATOM 0 HE2 TYR A 93 16.336 -1.068 1.010 1.00 0.00 H new ATOM 0 HH TYR A 93 15.460 -0.638 2.924 1.00 0.00 H new ATOM 1091 N ASN A 94 16.031 5.343 -2.357 1.00 0.00 N ATOM 1092 CA ASN A 94 15.458 6.551 -1.788 1.00 0.00 C ATOM 1093 C ASN A 94 15.086 6.294 -0.326 1.00 0.00 C ATOM 1094 O ASN A 94 15.909 6.477 0.569 1.00 0.00 O ATOM 1095 CB ASN A 94 14.187 6.963 -2.534 1.00 0.00 C ATOM 1096 CG ASN A 94 13.568 5.769 -3.264 1.00 0.00 C ATOM 1097 OD1 ASN A 94 12.967 5.896 -4.317 1.00 0.00 O ATOM 1098 ND2 ASN A 94 13.747 4.605 -2.645 1.00 0.00 N ATOM 0 H ASN A 94 15.762 5.157 -3.323 1.00 0.00 H new ATOM 0 HA ASN A 94 16.198 7.347 -1.871 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.466 7.377 -1.829 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.421 7.751 -3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.370 3.748 -3.051 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.261 4.569 -1.765 1.00 0.00 H new ATOM 1104 N THR A 95 13.844 5.874 -0.130 1.00 0.00 N ATOM 1105 CA THR A 95 13.353 5.590 1.208 1.00 0.00 C ATOM 1106 C THR A 95 12.005 4.869 1.139 1.00 0.00 C ATOM 1107 O THR A 95 11.765 3.922 1.885 1.00 0.00 O ATOM 1108 CB THR A 95 13.298 6.909 1.981 1.00 0.00 C ATOM 1109 OG1 THR A 95 12.698 6.558 3.225 1.00 0.00 O ATOM 1110 CG2 THR A 95 12.318 7.909 1.364 1.00 0.00 C ATOM 0 H THR A 95 13.164 5.724 -0.875 1.00 0.00 H new ATOM 0 HA THR A 95 14.022 4.913 1.740 1.00 0.00 H new ATOM 0 HB THR A 95 14.294 7.351 2.016 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.625 7.356 3.790 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.318 8.827 1.951 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.622 8.132 0.341 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.316 7.481 1.360 1.00 0.00 H new ATOM 1118 N THR A 96 11.161 5.346 0.236 1.00 0.00 N ATOM 1119 CA THR A 96 9.844 4.759 0.060 1.00 0.00 C ATOM 1120 C THR A 96 9.536 4.576 -1.428 1.00 0.00 C ATOM 1121 O THR A 96 8.842 5.395 -2.026 1.00 0.00 O ATOM 1122 CB THR A 96 8.830 5.646 0.786 1.00 0.00 C ATOM 1123 OG1 THR A 96 9.064 5.383 2.166 1.00 0.00 O ATOM 1124 CG2 THR A 96 7.387 5.191 0.560 1.00 0.00 C ATOM 0 H THR A 96 11.364 6.132 -0.381 1.00 0.00 H new ATOM 0 HA THR A 96 9.795 3.761 0.495 1.00 0.00 H new ATOM 0 HB THR A 96 8.943 6.677 0.449 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.450 5.919 2.710 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.708 5.854 1.097 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.158 5.222 -0.505 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.265 4.172 0.927 1.00 0.00 H new ATOM 1132 N ARG A 97 10.067 3.495 -1.980 1.00 0.00 N ATOM 1133 CA ARG A 97 9.858 3.194 -3.386 1.00 0.00 C ATOM 1134 C ARG A 97 9.709 1.685 -3.590 1.00 0.00 C ATOM 1135 O ARG A 97 9.495 0.943 -2.631 1.00 0.00 O ATOM 1136 CB ARG A 97 11.021 3.705 -4.238 1.00 0.00 C ATOM 1137 CG ARG A 97 10.512 4.489 -5.448 1.00 0.00 C ATOM 1138 CD ARG A 97 11.184 4.008 -6.736 1.00 0.00 C ATOM 1139 NE ARG A 97 10.720 4.821 -7.883 1.00 0.00 N ATOM 1140 CZ ARG A 97 11.043 4.572 -9.159 1.00 0.00 C ATOM 1141 NH1 ARG A 97 11.833 3.533 -9.460 1.00 0.00 N ATOM 1142 NH2 ARG A 97 10.577 5.363 -10.135 1.00 0.00 N ATOM 0 H ARG A 97 10.641 2.817 -1.479 1.00 0.00 H new ATOM 0 HA ARG A 97 8.944 3.698 -3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.667 4.342 -3.633 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.627 2.864 -4.574 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.431 4.373 -5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.709 5.552 -5.306 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.267 4.083 -6.641 1.00 0.00 H new ATOM 0 HD3 ARG A 97 10.951 2.957 -6.907 1.00 0.00 H new ATOM 0 HE ARG A 97 10.117 5.620 -7.690 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.189 2.931 -8.717 1.00 0.00 H new ATOM 0 HH12 ARG A 97 12.079 3.344 -10.432 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.976 6.155 -9.906 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.823 5.173 -11.106 1.00 0.00 H new ATOM 1153 N ASN A 98 9.829 1.274 -4.843 1.00 0.00 N ATOM 1154 CA ASN A 98 9.711 -0.134 -5.184 1.00 0.00 C ATOM 1155 C ASN A 98 8.397 -0.681 -4.626 1.00 0.00 C ATOM 1156 O ASN A 98 7.863 -0.151 -3.652 1.00 0.00 O ATOM 1157 CB ASN A 98 10.857 -0.946 -4.577 1.00 0.00 C ATOM 1158 CG ASN A 98 10.662 -1.127 -3.071 1.00 0.00 C ATOM 1159 OD1 ASN A 98 9.804 -1.864 -2.614 1.00 0.00 O ATOM 1160 ND2 ASN A 98 11.504 -0.415 -2.326 1.00 0.00 N ATOM 0 H ASN A 98 10.007 1.891 -5.635 1.00 0.00 H new ATOM 0 HA ASN A 98 9.743 -0.221 -6.270 1.00 0.00 H new ATOM 0 HB2 ASN A 98 10.912 -1.922 -5.060 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.805 -0.442 -4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.454 -0.467 -1.309 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.199 0.183 -2.772 1.00 0.00 H new ATOM 1166 N ALA A 99 7.911 -1.734 -5.266 1.00 0.00 N ATOM 1167 CA ALA A 99 6.669 -2.359 -4.846 1.00 0.00 C ATOM 1168 C ALA A 99 6.082 -3.156 -6.013 1.00 0.00 C ATOM 1169 O ALA A 99 6.532 -3.020 -7.150 1.00 0.00 O ATOM 1170 CB ALA A 99 5.706 -1.287 -4.331 1.00 0.00 C ATOM 0 H ALA A 99 8.356 -2.171 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 99 6.849 -3.057 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.774 -1.756 -4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.157 -0.770 -3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.501 -0.570 -5.126 1.00 0.00 H new ATOM 1176 N TYR A 100 5.088 -3.969 -5.692 1.00 0.00 N ATOM 1177 CA TYR A 100 4.435 -4.789 -6.700 1.00 0.00 C ATOM 1178 C TYR A 100 2.963 -5.015 -6.353 1.00 0.00 C ATOM 1179 O TYR A 100 2.646 -5.786 -5.449 1.00 0.00 O ATOM 1180 CB TYR A 100 5.164 -6.134 -6.686 1.00 0.00 C ATOM 1181 CG TYR A 100 6.502 -6.124 -7.427 1.00 0.00 C ATOM 1182 CD1 TYR A 100 7.634 -5.642 -6.802 1.00 0.00 C ATOM 1183 CD2 TYR A 100 6.579 -6.600 -8.721 1.00 0.00 C ATOM 1184 CE1 TYR A 100 8.894 -5.633 -7.498 1.00 0.00 C ATOM 1185 CE2 TYR A 100 7.839 -6.591 -9.417 1.00 0.00 C ATOM 1186 CZ TYR A 100 8.934 -6.107 -8.771 1.00 0.00 C ATOM 1187 OH TYR A 100 10.124 -6.100 -9.430 1.00 0.00 O ATOM 0 H TYR A 100 4.718 -4.079 -4.748 1.00 0.00 H new ATOM 0 HA TYR A 100 4.474 -4.303 -7.675 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.335 -6.432 -5.652 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.519 -6.890 -7.133 1.00 0.00 H new ATOM 0 HD1 TYR A 100 7.575 -5.271 -5.789 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.694 -6.979 -9.211 1.00 0.00 H new ATOM 0 HE1 TYR A 100 9.787 -5.258 -7.020 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.913 -6.960 -10.429 1.00 0.00 H new ATOM 0 HH TYR A 100 10.002 -6.469 -10.330 1.00 0.00 H new ATOM 1196 N ARG A 101 2.101 -4.330 -7.091 1.00 0.00 N ATOM 1197 CA ARG A 101 0.670 -4.448 -6.872 1.00 0.00 C ATOM 1198 C ARG A 101 -0.060 -4.593 -8.209 1.00 0.00 C ATOM 1199 O ARG A 101 0.118 -3.776 -9.111 1.00 0.00 O ATOM 1200 CB ARG A 101 0.124 -3.226 -6.131 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.230 -3.574 -4.684 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.223 -2.566 -4.103 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.331 -3.277 -3.428 1.00 0.00 N ATOM 1204 CZ ARG A 101 -3.096 -2.738 -2.469 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -2.879 -1.478 -2.068 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -4.079 -3.458 -1.913 1.00 0.00 N ATOM 0 H ARG A 101 2.367 -3.692 -7.841 1.00 0.00 H new ATOM 0 HA ARG A 101 0.499 -5.335 -6.262 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.865 -2.427 -6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -0.761 -2.850 -6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.657 -4.576 -4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.676 -3.588 -4.078 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.716 -1.911 -3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.617 -1.932 -4.898 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.525 -4.238 -3.710 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.131 -0.929 -2.493 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.461 -1.068 -1.338 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.245 -4.417 -2.220 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.661 -3.048 -1.183 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.869 -5.640 -8.295 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.627 -5.903 -9.505 1.00 0.00 C ATOM 1219 C GLU A 102 -3.123 -5.708 -9.248 1.00 0.00 C ATOM 1220 O GLU A 102 -3.575 -5.790 -8.108 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.341 -7.309 -10.036 1.00 0.00 C ATOM 1222 CG GLU A 102 -1.548 -8.361 -8.944 1.00 0.00 C ATOM 1223 CD GLU A 102 -0.222 -9.019 -8.560 1.00 0.00 C ATOM 1224 OE1 GLU A 102 0.574 -9.278 -9.489 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -0.034 -9.250 -7.346 1.00 0.00 O ATOM 0 H GLU A 102 -1.015 -6.316 -7.545 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.314 -5.191 -10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.996 -7.523 -10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.317 -7.360 -10.406 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.995 -7.896 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.247 -9.120 -9.293 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.847 -5.455 -10.327 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.283 -5.247 -10.233 1.00 0.00 C ATOM 1232 C CYS A 103 -5.984 -6.452 -10.863 1.00 0.00 C ATOM 1233 O CYS A 103 -5.712 -6.803 -12.010 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.709 -3.931 -10.888 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.471 -2.718 -9.748 1.00 0.00 S ATOM 0 H CYS A 103 -3.467 -5.389 -11.271 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.574 -5.165 -9.186 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.836 -3.473 -11.353 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.416 -4.152 -11.687 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.876 -7.050 -10.087 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.619 -8.207 -10.555 1.00 0.00 C ATOM 1241 C LEU A 104 -8.504 -7.798 -11.734 1.00 0.00 C ATOM 1242 O LEU A 104 -8.756 -6.612 -11.943 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.390 -8.851 -9.402 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.715 -10.048 -8.729 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.042 -10.093 -7.235 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -8.085 -11.355 -9.435 1.00 0.00 C ATOM 0 H LEU A 104 -7.101 -6.755 -9.137 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.937 -8.975 -10.920 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.574 -8.090 -8.644 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.363 -9.171 -9.775 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.636 -9.927 -8.820 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.550 -10.953 -6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.689 -9.179 -6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.120 -10.179 -7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.592 -12.190 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.165 -11.496 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.762 -11.311 -10.475 1.00 0.00 H new ATOM 1257 N GLU A 105 -8.951 -8.801 -12.474 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.803 -8.560 -13.626 1.00 0.00 C ATOM 1259 C GLU A 105 -11.236 -8.271 -13.176 1.00 0.00 C ATOM 1260 O GLU A 105 -12.122 -8.065 -14.004 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.761 -9.742 -14.596 1.00 0.00 C ATOM 1262 CG GLU A 105 -9.474 -9.271 -16.024 1.00 0.00 C ATOM 1263 CD GLU A 105 -9.636 -10.418 -17.023 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -10.560 -11.232 -16.808 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -8.830 -10.456 -17.977 1.00 0.00 O ATOM 0 H GLU A 105 -8.739 -9.783 -12.298 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.426 -7.685 -14.155 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.993 -10.448 -14.281 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.712 -10.273 -14.569 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.151 -8.458 -16.286 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.461 -8.873 -16.083 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.420 -8.264 -11.864 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.731 -8.003 -11.293 1.00 0.00 C ATOM 1272 C ASN A 106 -12.809 -6.540 -10.855 1.00 0.00 C ATOM 1273 O ASN A 106 -13.837 -6.094 -10.347 1.00 0.00 O ATOM 1274 CB ASN A 106 -12.980 -8.878 -10.063 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.429 -9.368 -10.022 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.335 -8.671 -9.594 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.597 -10.601 -10.491 1.00 0.00 N ATOM 0 H ASN A 106 -10.683 -8.435 -11.180 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.480 -8.226 -12.053 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.304 -9.733 -10.078 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.758 -8.312 -9.159 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.528 -11.018 -10.507 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.795 -11.130 -10.834 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.711 -5.830 -11.070 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.643 -4.426 -10.704 1.00 0.00 C ATOM 1285 C GLY A 107 -11.362 -4.262 -9.209 1.00 0.00 C ATOM 1286 O GLY A 107 -11.935 -3.389 -8.559 1.00 0.00 O ATOM 0 H GLY A 107 -10.861 -6.202 -11.493 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.860 -3.934 -11.281 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.582 -3.935 -10.957 1.00 0.00 H new ATOM 1290 N THR A 108 -10.482 -5.115 -8.708 1.00 0.00 N ATOM 1291 CA THR A 108 -10.119 -5.076 -7.301 1.00 0.00 C ATOM 1292 C THR A 108 -8.599 -5.011 -7.145 1.00 0.00 C ATOM 1293 O THR A 108 -7.861 -5.295 -8.087 1.00 0.00 O ATOM 1294 CB THR A 108 -10.749 -6.289 -6.616 1.00 0.00 C ATOM 1295 OG1 THR A 108 -10.341 -7.393 -7.420 1.00 0.00 O ATOM 1296 CG2 THR A 108 -12.275 -6.296 -6.723 1.00 0.00 C ATOM 0 H THR A 108 -10.009 -5.838 -9.251 1.00 0.00 H new ATOM 0 HA THR A 108 -10.503 -4.177 -6.818 1.00 0.00 H new ATOM 0 HB THR A 108 -10.458 -6.303 -5.566 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.705 -8.222 -7.046 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.671 -7.178 -6.220 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.677 -5.399 -6.252 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.566 -6.316 -7.773 1.00 0.00 H new ATOM 1304 N TRP A 109 -8.175 -4.634 -5.947 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.755 -4.528 -5.656 1.00 0.00 C ATOM 1306 C TRP A 109 -6.287 -5.870 -5.088 1.00 0.00 C ATOM 1307 O TRP A 109 -7.042 -6.842 -5.081 1.00 0.00 O ATOM 1308 CB TRP A 109 -6.475 -3.352 -4.717 1.00 0.00 C ATOM 1309 CG TRP A 109 -6.322 -2.008 -5.432 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -7.084 -0.914 -5.303 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -5.309 -1.660 -6.398 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.638 0.111 -6.112 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.524 -0.356 -6.800 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -4.244 -2.419 -6.916 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.717 0.301 -7.736 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -3.447 -1.748 -7.851 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.651 -0.437 -8.265 1.00 0.00 C ATOM 0 H TRP A 109 -8.789 -4.398 -5.168 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.190 -4.318 -6.564 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.287 -3.277 -3.993 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.565 -3.558 -4.154 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.940 -0.843 -4.648 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.050 1.041 -6.191 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.056 -3.439 -6.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.906 1.322 -8.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.615 -2.287 -8.281 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.990 0.011 -8.992 1.00 0.00 H new ATOM 1327 N ALA A 110 -5.045 -5.881 -4.627 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.469 -7.087 -4.059 1.00 0.00 C ATOM 1329 C ALA A 110 -4.587 -7.036 -2.535 1.00 0.00 C ATOM 1330 O ALA A 110 -5.193 -6.117 -1.986 1.00 0.00 O ATOM 1331 CB ALA A 110 -3.018 -7.229 -4.527 1.00 0.00 C ATOM 0 H ALA A 110 -4.422 -5.074 -4.635 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.011 -7.969 -4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.585 -8.134 -4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.991 -7.291 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.443 -6.363 -4.199 1.00 0.00 H new ATOM 1337 N SER A 111 -4.000 -8.035 -1.893 1.00 0.00 N ATOM 1338 CA SER A 111 -4.033 -8.116 -0.443 1.00 0.00 C ATOM 1339 C SER A 111 -3.166 -7.009 0.162 1.00 0.00 C ATOM 1340 O SER A 111 -3.561 -6.370 1.136 1.00 0.00 O ATOM 1341 CB SER A 111 -3.558 -9.487 0.044 1.00 0.00 C ATOM 1342 OG SER A 111 -4.648 -10.345 0.367 1.00 0.00 O ATOM 0 H SER A 111 -3.498 -8.796 -2.351 1.00 0.00 H new ATOM 0 HA SER A 111 -5.064 -7.982 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.945 -9.954 -0.727 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.924 -9.360 0.921 1.00 0.00 H new ATOM 0 HG SER A 111 -4.304 -11.210 0.672 1.00 0.00 H new ATOM 1347 N ARG A 112 -2.002 -6.816 -0.440 1.00 0.00 N ATOM 1348 CA ARG A 112 -1.078 -5.798 0.027 1.00 0.00 C ATOM 1349 C ARG A 112 0.227 -5.860 -0.770 1.00 0.00 C ATOM 1350 O ARG A 112 0.842 -6.920 -0.880 1.00 0.00 O ATOM 1351 CB ARG A 112 -0.767 -5.976 1.515 1.00 0.00 C ATOM 1352 CG ARG A 112 -1.471 -4.908 2.353 1.00 0.00 C ATOM 1353 CD ARG A 112 -1.864 -5.459 3.726 1.00 0.00 C ATOM 1354 NE ARG A 112 -0.692 -5.447 4.631 1.00 0.00 N ATOM 1355 CZ ARG A 112 -0.602 -6.174 5.753 1.00 0.00 C ATOM 1356 NH1 ARG A 112 -1.612 -6.975 6.114 1.00 0.00 N ATOM 1357 NH2 ARG A 112 0.499 -6.099 6.512 1.00 0.00 N ATOM 0 H ARG A 112 -1.678 -7.348 -1.248 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.552 -4.828 -0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.084 -6.967 1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.310 -5.918 1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.814 -4.047 2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.361 -4.558 1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.668 -4.859 4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.245 -6.475 3.624 1.00 0.00 H new ATOM 0 HE ARG A 112 0.096 -4.848 4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.450 -7.032 5.535 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.544 -7.529 6.968 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.268 -5.489 6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.568 -6.652 7.366 1.00 0.00 H new ATOM 1368 N VAL A 113 0.611 -4.710 -1.305 1.00 0.00 N ATOM 1369 CA VAL A 113 1.831 -4.621 -2.089 1.00 0.00 C ATOM 1370 C VAL A 113 2.924 -5.459 -1.422 1.00 0.00 C ATOM 1371 O VAL A 113 2.846 -5.750 -0.230 1.00 0.00 O ATOM 1372 CB VAL A 113 2.231 -3.154 -2.270 1.00 0.00 C ATOM 1373 CG1 VAL A 113 2.981 -2.636 -1.042 1.00 0.00 C ATOM 1374 CG2 VAL A 113 3.060 -2.965 -3.541 1.00 0.00 C ATOM 0 H VAL A 113 0.099 -3.833 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 113 1.673 -5.028 -3.088 1.00 0.00 H new ATOM 0 HB VAL A 113 1.318 -2.568 -2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.254 -1.592 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.341 -2.718 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 113 3.883 -3.228 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.331 -1.914 -3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.965 -3.569 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.475 -3.277 -4.406 1.00 0.00 H new ATOM 1384 N ASN A 114 3.916 -5.825 -2.221 1.00 0.00 N ATOM 1385 CA ASN A 114 5.021 -6.624 -1.724 1.00 0.00 C ATOM 1386 C ASN A 114 6.229 -6.446 -2.646 1.00 0.00 C ATOM 1387 O ASN A 114 6.120 -5.832 -3.706 1.00 0.00 O ATOM 1388 CB ASN A 114 4.660 -8.110 -1.700 1.00 0.00 C ATOM 1389 CG ASN A 114 3.937 -8.520 -2.985 1.00 0.00 C ATOM 1390 OD1 ASN A 114 2.745 -8.781 -3.001 1.00 0.00 O ATOM 1391 ND2 ASN A 114 4.722 -8.559 -4.058 1.00 0.00 N ATOM 0 H ASN A 114 3.976 -5.582 -3.210 1.00 0.00 H new ATOM 0 HA ASN A 114 5.248 -6.292 -0.711 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.565 -8.706 -1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 114 4.026 -8.320 -0.839 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.334 -8.819 -4.965 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.712 -8.328 -3.974 1.00 0.00 H new ATOM 1397 N TYR A 115 7.353 -6.994 -2.208 1.00 0.00 N ATOM 1398 CA TYR A 115 8.581 -6.903 -2.982 1.00 0.00 C ATOM 1399 C TYR A 115 9.710 -7.691 -2.313 1.00 0.00 C ATOM 1400 O TYR A 115 10.182 -7.317 -1.241 1.00 0.00 O ATOM 1401 CB TYR A 115 8.955 -5.420 -3.006 1.00 0.00 C ATOM 1402 CG TYR A 115 8.608 -4.670 -1.719 1.00 0.00 C ATOM 1403 CD1 TYR A 115 9.526 -4.598 -0.692 1.00 0.00 C ATOM 1404 CD2 TYR A 115 7.375 -4.063 -1.585 1.00 0.00 C ATOM 1405 CE1 TYR A 115 9.199 -3.891 0.519 1.00 0.00 C ATOM 1406 CE2 TYR A 115 7.048 -3.356 -0.374 1.00 0.00 C ATOM 1407 CZ TYR A 115 7.976 -3.305 0.618 1.00 0.00 C ATOM 1408 OH TYR A 115 7.667 -2.638 1.762 1.00 0.00 O ATOM 0 H TYR A 115 7.440 -7.502 -1.328 1.00 0.00 H new ATOM 0 HA TYR A 115 8.437 -7.314 -3.981 1.00 0.00 H new ATOM 0 HB2 TYR A 115 10.025 -5.329 -3.190 1.00 0.00 H new ATOM 0 HB3 TYR A 115 8.446 -4.941 -3.842 1.00 0.00 H new ATOM 0 HD1 TYR A 115 10.491 -5.072 -0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 115 6.656 -4.119 -2.389 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.909 -3.828 1.330 1.00 0.00 H new ATOM 0 HE2 TYR A 115 6.087 -2.877 -0.256 1.00 0.00 H new ATOM 0 HH TYR A 115 6.762 -2.270 1.691 1.00 0.00 H new ATOM 1417 N SER A 116 10.109 -8.767 -2.975 1.00 0.00 N ATOM 1418 CA SER A 116 11.173 -9.611 -2.458 1.00 0.00 C ATOM 1419 C SER A 116 12.362 -9.605 -3.423 1.00 0.00 C ATOM 1420 O SER A 116 13.514 -9.628 -2.995 1.00 0.00 O ATOM 1421 CB SER A 116 10.681 -11.041 -2.231 1.00 0.00 C ATOM 1422 OG SER A 116 11.149 -11.577 -0.995 1.00 0.00 O ATOM 0 H SER A 116 9.715 -9.074 -3.864 1.00 0.00 H new ATOM 0 HA SER A 116 11.492 -9.209 -1.496 1.00 0.00 H new ATOM 0 HB2 SER A 116 9.591 -11.056 -2.243 1.00 0.00 H new ATOM 0 HB3 SER A 116 11.017 -11.675 -3.052 1.00 0.00 H new ATOM 0 HG SER A 116 10.812 -12.491 -0.886 1.00 0.00 H new ATOM 1427 N HIS A 117 12.039 -9.573 -4.707 1.00 0.00 N ATOM 1428 CA HIS A 117 13.064 -9.564 -5.736 1.00 0.00 C ATOM 1429 C HIS A 117 13.558 -8.133 -5.957 1.00 0.00 C ATOM 1430 O HIS A 117 14.340 -7.875 -6.870 1.00 0.00 O ATOM 1431 CB HIS A 117 12.551 -10.218 -7.021 1.00 0.00 C ATOM 1432 CG HIS A 117 11.139 -9.828 -7.387 1.00 0.00 C ATOM 1433 ND1 HIS A 117 10.028 -10.342 -6.740 1.00 0.00 N ATOM 1434 CD2 HIS A 117 10.669 -8.969 -8.338 1.00 0.00 C ATOM 1435 CE1 HIS A 117 8.944 -9.809 -7.286 1.00 0.00 C ATOM 1436 NE2 HIS A 117 9.344 -8.960 -8.276 1.00 0.00 N ATOM 0 H HIS A 117 11.082 -9.553 -5.058 1.00 0.00 H new ATOM 0 HA HIS A 117 13.916 -10.160 -5.409 1.00 0.00 H new ATOM 0 HB2 HIS A 117 13.215 -9.951 -7.843 1.00 0.00 H new ATOM 0 HB3 HIS A 117 12.601 -11.301 -6.910 1.00 0.00 H new ATOM 0 HD2 HIS A 117 11.273 -8.394 -9.024 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.923 -10.011 -6.998 1.00 0.00 H new ATOM 0 HE2 HIS A 117 8.726 -8.409 -8.871 1.00 0.00 H new ATOM 1443 N CYS A 118 13.080 -7.239 -5.103 1.00 0.00 N ATOM 1444 CA CYS A 118 13.463 -5.840 -5.192 1.00 0.00 C ATOM 1445 C CYS A 118 14.308 -5.494 -3.965 1.00 0.00 C ATOM 1446 O CYS A 118 14.983 -4.465 -3.941 1.00 0.00 O ATOM 1447 CB CYS A 118 12.243 -4.926 -5.322 1.00 0.00 C ATOM 1448 SG CYS A 118 12.479 -3.480 -6.417 1.00 0.00 S ATOM 0 H CYS A 118 12.431 -7.456 -4.347 1.00 0.00 H new ATOM 0 HA CYS A 118 14.053 -5.679 -6.095 1.00 0.00 H new ATOM 0 HB2 CYS A 118 11.405 -5.514 -5.696 1.00 0.00 H new ATOM 0 HB3 CYS A 118 11.966 -4.571 -4.330 1.00 0.00 H new ATOM 1452 N GLU A 119 14.243 -6.372 -2.975 1.00 0.00 N ATOM 1453 CA GLU A 119 14.995 -6.172 -1.747 1.00 0.00 C ATOM 1454 C GLU A 119 15.635 -7.487 -1.297 1.00 0.00 C ATOM 1455 O GLU A 119 15.301 -8.012 -0.236 1.00 0.00 O ATOM 1456 CB GLU A 119 14.103 -5.591 -0.647 1.00 0.00 C ATOM 1457 CG GLU A 119 12.895 -6.494 -0.387 1.00 0.00 C ATOM 1458 CD GLU A 119 12.392 -6.335 1.050 1.00 0.00 C ATOM 1459 OE1 GLU A 119 12.324 -5.171 1.500 1.00 0.00 O ATOM 1460 OE2 GLU A 119 12.086 -7.380 1.663 1.00 0.00 O ATOM 0 H GLU A 119 13.682 -7.223 -2.998 1.00 0.00 H new ATOM 0 HA GLU A 119 15.790 -5.452 -1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.680 -5.476 0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 119 13.763 -4.597 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.095 -6.248 -1.086 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.168 -7.534 -0.568 1.00 0.00 H new ATOM 1465 N PRO A 120 16.567 -7.993 -2.148 1.00 0.00 N ATOM 1466 CA PRO A 120 17.257 -9.237 -1.847 1.00 0.00 C ATOM 1467 C PRO A 120 18.312 -9.029 -0.759 1.00 0.00 C ATOM 1468 O PRO A 120 18.282 -8.030 -0.041 1.00 0.00 O ATOM 1469 CB PRO A 120 17.850 -9.687 -3.172 1.00 0.00 C ATOM 1470 CG PRO A 120 17.868 -8.454 -4.062 1.00 0.00 C ATOM 1471 CD PRO A 120 16.987 -7.399 -3.412 1.00 0.00 C ATOM 0 HA PRO A 120 16.592 -10.001 -1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.856 -10.084 -3.035 1.00 0.00 H new ATOM 0 HB3 PRO A 120 17.252 -10.482 -3.618 1.00 0.00 H new ATOM 0 HG2 PRO A 120 18.886 -8.082 -4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 120 17.501 -8.697 -5.059 1.00 0.00 H new ATOM 0 HD2 PRO A 120 17.535 -6.471 -3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 120 16.130 -7.158 -4.040 1.00 0.00 H new ATOM 1476 N ILE A 121 19.222 -9.989 -0.670 1.00 0.00 N ATOM 1477 CA ILE A 121 20.284 -9.925 0.318 1.00 0.00 C ATOM 1478 C ILE A 121 19.671 -9.897 1.720 1.00 0.00 C ATOM 1479 O ILE A 121 18.548 -9.425 1.901 1.00 0.00 O ATOM 1480 CB ILE A 121 21.212 -8.742 0.031 1.00 0.00 C ATOM 1481 CG1 ILE A 121 22.465 -9.200 -0.719 1.00 0.00 C ATOM 1482 CG2 ILE A 121 21.556 -7.990 1.317 1.00 0.00 C ATOM 1483 CD1 ILE A 121 22.571 -8.512 -2.082 1.00 0.00 C ATOM 0 H ILE A 121 19.245 -10.816 -1.267 1.00 0.00 H new ATOM 0 HA ILE A 121 20.910 -10.815 0.261 1.00 0.00 H new ATOM 0 HB ILE A 121 20.685 -8.043 -0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 121 23.351 -8.976 -0.125 1.00 0.00 H new ATOM 0 HG13 ILE A 121 22.437 -10.281 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 121 22.216 -7.155 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 121 20.641 -7.613 1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 121 22.056 -8.666 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 121 23.470 -8.855 -2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 121 21.695 -8.758 -2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 121 22.623 -7.432 -1.942 1.00 0.00 H new ATOM 1494 N LEU A 122 20.433 -10.409 2.675 1.00 0.00 N ATOM 1495 CA LEU A 122 19.978 -10.448 4.055 1.00 0.00 C ATOM 1496 C LEU A 122 20.815 -9.479 4.891 1.00 0.00 C ATOM 1497 O LEU A 122 21.465 -9.885 5.853 1.00 0.00 O ATOM 1498 CB LEU A 122 19.990 -11.884 4.581 1.00 0.00 C ATOM 1499 CG LEU A 122 21.370 -12.515 4.776 1.00 0.00 C ATOM 1500 CD1 LEU A 122 21.524 -13.071 6.193 1.00 0.00 C ATOM 1501 CD2 LEU A 122 21.643 -13.579 3.710 1.00 0.00 C ATOM 0 H LEU A 122 21.362 -10.800 2.521 1.00 0.00 H new ATOM 0 HA LEU A 122 18.942 -10.116 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 122 19.465 -11.905 5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 122 19.421 -12.507 3.891 1.00 0.00 H new ATOM 0 HG LEU A 122 22.122 -11.735 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 122 22.514 -13.514 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 122 21.404 -12.264 6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 122 20.764 -13.832 6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.630 -14.011 3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 122 20.888 -14.363 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 122 21.605 -13.122 2.721 1.00 0.00 H new ATOM 1512 N ASP A 123 20.773 -8.216 4.495 1.00 0.00 N ATOM 1513 CA ASP A 123 21.520 -7.186 5.195 1.00 0.00 C ATOM 1514 C ASP A 123 20.822 -6.868 6.520 1.00 0.00 C ATOM 1515 O ASP A 123 20.317 -5.763 6.711 1.00 0.00 O ATOM 1516 CB ASP A 123 21.584 -5.896 4.375 1.00 0.00 C ATOM 1517 CG ASP A 123 20.240 -5.195 4.164 1.00 0.00 C ATOM 1518 OD1 ASP A 123 19.210 -5.892 4.295 1.00 0.00 O ATOM 1519 OD2 ASP A 123 20.272 -3.980 3.877 1.00 0.00 O ATOM 0 H ASP A 123 20.232 -7.882 3.697 1.00 0.00 H new ATOM 0 HA ASP A 123 22.531 -7.558 5.361 1.00 0.00 H new ATOM 0 HB2 ASP A 123 22.264 -5.203 4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 123 22.014 -6.124 3.400 1.00 0.00 H new ATOM 1523 N ASP A 124 20.817 -7.858 7.401 1.00 0.00 N ATOM 1524 CA ASP A 124 20.190 -7.698 8.702 1.00 0.00 C ATOM 1525 C ASP A 124 20.355 -8.990 9.506 1.00 0.00 C ATOM 1526 O ASP A 124 20.636 -10.044 8.939 1.00 0.00 O ATOM 1527 CB ASP A 124 18.692 -7.416 8.562 1.00 0.00 C ATOM 1528 CG ASP A 124 18.202 -6.156 9.276 1.00 0.00 C ATOM 1529 OD1 ASP A 124 18.781 -5.843 10.339 1.00 0.00 O ATOM 1530 OD2 ASP A 124 17.257 -5.533 8.744 1.00 0.00 O ATOM 0 H ASP A 124 21.237 -8.773 7.239 1.00 0.00 H new ATOM 0 HA ASP A 124 20.669 -6.858 9.205 1.00 0.00 H new ATOM 0 HB2 ASP A 124 18.451 -7.332 7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 124 18.139 -8.272 8.948 1.00 0.00 H new ATOM 1534 N LYS A 125 20.171 -8.864 10.811 1.00 0.00 N ATOM 1535 CA LYS A 125 20.296 -10.009 11.698 1.00 0.00 C ATOM 1536 C LYS A 125 18.900 -10.501 12.087 1.00 0.00 C ATOM 1537 O LYS A 125 18.193 -9.837 12.844 1.00 0.00 O ATOM 1538 CB LYS A 125 21.182 -9.665 12.896 1.00 0.00 C ATOM 1539 CG LYS A 125 21.616 -10.931 13.638 1.00 0.00 C ATOM 1540 CD LYS A 125 22.714 -10.619 14.657 1.00 0.00 C ATOM 1541 CE LYS A 125 22.790 -11.708 15.730 1.00 0.00 C ATOM 1542 NZ LYS A 125 24.072 -12.443 15.633 1.00 0.00 N ATOM 0 H LYS A 125 19.936 -7.987 11.276 1.00 0.00 H new ATOM 0 HA LYS A 125 20.795 -10.833 11.188 1.00 0.00 H new ATOM 0 HB2 LYS A 125 22.062 -9.118 12.557 1.00 0.00 H new ATOM 0 HB3 LYS A 125 20.641 -9.008 13.577 1.00 0.00 H new ATOM 0 HG2 LYS A 125 20.758 -11.372 14.146 1.00 0.00 H new ATOM 0 HG3 LYS A 125 21.977 -11.670 12.923 1.00 0.00 H new ATOM 0 HD2 LYS A 125 23.675 -10.536 14.148 1.00 0.00 H new ATOM 0 HD3 LYS A 125 22.517 -9.655 15.125 1.00 0.00 H new ATOM 0 HE2 LYS A 125 22.695 -11.260 16.719 1.00 0.00 H new ATOM 0 HE3 LYS A 125 21.957 -12.401 15.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 24.107 -13.178 16.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 24.148 -12.887 14.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 24.863 -11.781 15.767 1.00 0.00 H new ATOM 1552 N GLN A 126 18.546 -11.660 11.552 1.00 0.00 N ATOM 1553 CA GLN A 126 17.247 -12.249 11.835 1.00 0.00 C ATOM 1554 C GLN A 126 17.389 -13.384 12.851 1.00 0.00 C ATOM 1555 O GLN A 126 17.554 -13.136 14.044 1.00 0.00 O ATOM 1556 CB GLN A 126 16.579 -12.743 10.551 1.00 0.00 C ATOM 1557 CG GLN A 126 16.105 -11.569 9.692 1.00 0.00 C ATOM 1558 CD GLN A 126 16.613 -11.700 8.254 1.00 0.00 C ATOM 1559 OE1 GLN A 126 17.416 -10.915 7.778 1.00 0.00 O ATOM 1560 NE2 GLN A 126 16.101 -12.735 7.593 1.00 0.00 N ATOM 0 H GLN A 126 19.135 -12.207 10.924 1.00 0.00 H new ATOM 0 HA GLN A 126 16.607 -11.480 12.266 1.00 0.00 H new ATOM 0 HB2 GLN A 126 17.281 -13.353 9.983 1.00 0.00 H new ATOM 0 HB3 GLN A 126 15.731 -13.381 10.800 1.00 0.00 H new ATOM 0 HG2 GLN A 126 15.016 -11.529 9.694 1.00 0.00 H new ATOM 0 HG3 GLN A 126 16.459 -10.632 10.123 1.00 0.00 H new ATOM 0 HE21 GLN A 126 15.433 -13.353 8.053 1.00 0.00 H new ATOM 0 HE22 GLN A 126 16.377 -12.910 6.627 1.00 0.00 H new ATOM 1567 N ARG A 127 17.319 -14.605 12.341 1.00 0.00 N ATOM 1568 CA ARG A 127 17.436 -15.778 13.189 1.00 0.00 C ATOM 1569 C ARG A 127 16.337 -15.778 14.252 1.00 0.00 C ATOM 1570 O ARG A 127 16.428 -15.055 15.244 1.00 0.00 O ATOM 1571 CB ARG A 127 18.802 -15.824 13.877 1.00 0.00 C ATOM 1572 CG ARG A 127 19.177 -17.260 14.254 1.00 0.00 C ATOM 1573 CD ARG A 127 18.363 -17.742 15.457 1.00 0.00 C ATOM 1574 NE ARG A 127 18.965 -18.974 16.014 1.00 0.00 N ATOM 1575 CZ ARG A 127 18.874 -20.181 15.439 1.00 0.00 C ATOM 1576 NH1 ARG A 127 18.205 -20.326 14.287 1.00 0.00 N ATOM 1577 NH2 ARG A 127 19.451 -21.242 16.016 1.00 0.00 N ATOM 0 H ARG A 127 17.183 -14.807 11.351 1.00 0.00 H new ATOM 0 HA ARG A 127 17.330 -16.658 12.554 1.00 0.00 H new ATOM 0 HB2 ARG A 127 19.561 -15.408 13.215 1.00 0.00 H new ATOM 0 HB3 ARG A 127 18.784 -15.202 14.772 1.00 0.00 H new ATOM 0 HG2 ARG A 127 19.002 -17.920 13.404 1.00 0.00 H new ATOM 0 HG3 ARG A 127 20.241 -17.313 14.486 1.00 0.00 H new ATOM 0 HD2 ARG A 127 18.332 -16.965 16.221 1.00 0.00 H new ATOM 0 HD3 ARG A 127 17.333 -17.934 15.156 1.00 0.00 H new ATOM 0 HE ARG A 127 19.481 -18.900 16.890 1.00 0.00 H new ATOM 0 HH11 ARG A 127 17.765 -19.518 13.848 1.00 0.00 H new ATOM 0 HH12 ARG A 127 18.136 -21.245 13.850 1.00 0.00 H new ATOM 0 HH21 ARG A 127 19.960 -21.132 16.893 1.00 0.00 H new ATOM 0 HH22 ARG A 127 19.382 -22.161 15.579 1.00 0.00 H new ATOM 1588 N LYS A 128 15.323 -16.596 14.010 1.00 0.00 N ATOM 1589 CA LYS A 128 14.206 -16.698 14.934 1.00 0.00 C ATOM 1590 C LYS A 128 13.588 -18.093 14.827 1.00 0.00 C ATOM 1591 O LYS A 128 13.332 -18.580 13.728 1.00 0.00 O ATOM 1592 CB LYS A 128 13.209 -15.563 14.697 1.00 0.00 C ATOM 1593 CG LYS A 128 12.020 -15.669 15.655 1.00 0.00 C ATOM 1594 CD LYS A 128 10.825 -16.339 14.975 1.00 0.00 C ATOM 1595 CE LYS A 128 9.848 -15.296 14.430 1.00 0.00 C ATOM 1596 NZ LYS A 128 8.714 -15.111 15.363 1.00 0.00 N ATOM 0 H LYS A 128 15.252 -17.194 13.187 1.00 0.00 H new ATOM 0 HA LYS A 128 14.549 -16.579 15.962 1.00 0.00 H new ATOM 0 HB2 LYS A 128 13.706 -14.603 14.834 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.855 -15.595 13.667 1.00 0.00 H new ATOM 0 HG2 LYS A 128 12.309 -16.241 16.537 1.00 0.00 H new ATOM 0 HG3 LYS A 128 11.736 -14.674 15.999 1.00 0.00 H new ATOM 0 HD2 LYS A 128 11.175 -16.975 14.162 1.00 0.00 H new ATOM 0 HD3 LYS A 128 10.312 -16.985 15.687 1.00 0.00 H new ATOM 0 HE2 LYS A 128 10.364 -14.347 14.283 1.00 0.00 H new ATOM 0 HE3 LYS A 128 9.477 -15.611 13.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 8.060 -14.400 14.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 8.212 -16.014 15.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.072 -14.789 16.285 1.00 0.00 H new ATOM 1606 N TYR A 129 13.367 -18.698 15.986 1.00 0.00 N ATOM 1607 CA TYR A 129 12.783 -20.027 16.036 1.00 0.00 C ATOM 1608 C TYR A 129 12.404 -20.406 17.469 1.00 0.00 C ATOM 1609 O TYR A 129 12.608 -21.544 17.889 1.00 0.00 O ATOM 1610 CB TYR A 129 13.869 -20.983 15.539 1.00 0.00 C ATOM 1611 CG TYR A 129 13.722 -21.382 14.069 1.00 0.00 C ATOM 1612 CD1 TYR A 129 12.712 -22.240 13.684 1.00 0.00 C ATOM 1613 CD2 TYR A 129 14.600 -20.883 13.128 1.00 0.00 C ATOM 1614 CE1 TYR A 129 12.574 -22.614 12.300 1.00 0.00 C ATOM 1615 CE2 TYR A 129 14.462 -21.257 11.744 1.00 0.00 C ATOM 1616 CZ TYR A 129 13.456 -22.105 11.399 1.00 0.00 C ATOM 1617 OH TYR A 129 13.326 -22.459 10.092 1.00 0.00 O ATOM 0 H TYR A 129 13.582 -18.292 16.897 1.00 0.00 H new ATOM 0 HA TYR A 129 11.877 -20.071 15.431 1.00 0.00 H new ATOM 0 HB2 TYR A 129 14.843 -20.516 15.682 1.00 0.00 H new ATOM 0 HB3 TYR A 129 13.854 -21.884 16.153 1.00 0.00 H new ATOM 0 HD1 TYR A 129 12.025 -22.631 14.420 1.00 0.00 H new ATOM 0 HD2 TYR A 129 15.391 -20.212 13.430 1.00 0.00 H new ATOM 0 HE1 TYR A 129 11.788 -23.284 11.985 1.00 0.00 H new ATOM 0 HE2 TYR A 129 15.141 -20.873 10.997 1.00 0.00 H new ATOM 0 HH TYR A 129 14.024 -22.019 9.563 1.00 0.00 H new ATOM 1626 N ASP A 130 11.859 -19.430 18.180 1.00 0.00 N ATOM 1627 CA ASP A 130 11.449 -19.647 19.558 1.00 0.00 C ATOM 1628 C ASP A 130 10.027 -20.208 19.580 1.00 0.00 C ATOM 1629 O ASP A 130 9.237 -19.944 18.675 1.00 0.00 O ATOM 1630 CB ASP A 130 11.452 -18.335 20.346 1.00 0.00 C ATOM 1631 CG ASP A 130 11.157 -18.478 21.840 1.00 0.00 C ATOM 1632 OD1 ASP A 130 11.543 -19.528 22.397 1.00 0.00 O ATOM 1633 OD2 ASP A 130 10.552 -17.533 22.392 1.00 0.00 O ATOM 0 H ASP A 130 11.692 -18.487 17.828 1.00 0.00 H new ATOM 0 HA ASP A 130 12.153 -20.344 20.014 1.00 0.00 H new ATOM 0 HB2 ASP A 130 12.426 -17.859 20.227 1.00 0.00 H new ATOM 0 HB3 ASP A 130 10.714 -17.664 19.908 1.00 0.00 H new ATOM 1637 N LEU A 131 9.744 -20.975 20.624 1.00 0.00 N ATOM 1638 CA LEU A 131 8.430 -21.576 20.775 1.00 0.00 C ATOM 1639 C LEU A 131 8.321 -22.209 22.164 1.00 0.00 C ATOM 1640 O LEU A 131 7.291 -22.092 22.825 1.00 0.00 O ATOM 1641 CB LEU A 131 8.152 -22.551 19.630 1.00 0.00 C ATOM 1642 CG LEU A 131 6.785 -23.241 19.653 1.00 0.00 C ATOM 1643 CD1 LEU A 131 6.261 -23.466 18.233 1.00 0.00 C ATOM 1644 CD2 LEU A 131 6.841 -24.542 20.456 1.00 0.00 C ATOM 0 H LEU A 131 10.402 -21.193 21.372 1.00 0.00 H new ATOM 0 HA LEU A 131 7.652 -20.815 20.709 1.00 0.00 H new ATOM 0 HB2 LEU A 131 8.249 -22.011 18.688 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.925 -23.319 19.638 1.00 0.00 H new ATOM 0 HG LEU A 131 6.078 -22.582 20.157 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.289 -23.957 18.277 1.00 0.00 H new ATOM 0 HD12 LEU A 131 6.160 -22.506 17.726 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.961 -24.095 17.682 1.00 0.00 H new ATOM 0 HD21 LEU A 131 5.857 -25.012 20.457 1.00 0.00 H new ATOM 0 HD22 LEU A 131 7.566 -25.218 20.003 1.00 0.00 H new ATOM 0 HD23 LEU A 131 7.139 -24.324 21.481 1.00 0.00 H new ATOM 1655 N HIS A 132 9.399 -22.869 22.564 1.00 0.00 N ATOM 1656 CA HIS A 132 9.438 -23.521 23.862 1.00 0.00 C ATOM 1657 C HIS A 132 10.585 -22.944 24.692 1.00 0.00 C ATOM 1658 O HIS A 132 11.397 -22.172 24.184 1.00 0.00 O ATOM 1659 CB HIS A 132 9.526 -25.041 23.703 1.00 0.00 C ATOM 1660 CG HIS A 132 10.657 -25.501 22.815 1.00 0.00 C ATOM 1661 ND1 HIS A 132 11.912 -25.820 23.305 1.00 0.00 N ATOM 1662 CD2 HIS A 132 10.711 -25.692 21.466 1.00 0.00 C ATOM 1663 CE1 HIS A 132 12.678 -26.185 22.287 1.00 0.00 C ATOM 1664 NE2 HIS A 132 11.932 -26.106 21.149 1.00 0.00 N ATOM 0 H HIS A 132 10.251 -22.966 22.012 1.00 0.00 H new ATOM 0 HA HIS A 132 8.511 -23.323 24.401 1.00 0.00 H new ATOM 0 HB2 HIS A 132 9.644 -25.493 24.688 1.00 0.00 H new ATOM 0 HB3 HIS A 132 8.585 -25.408 23.295 1.00 0.00 H new ATOM 0 HD2 HIS A 132 9.898 -25.533 20.773 1.00 0.00 H new ATOM 0 HE1 HIS A 132 13.712 -26.491 22.348 1.00 0.00 H new ATOM 0 HE2 HIS A 132 12.258 -26.328 20.208 1.00 0.00 H new ATOM 1672 N TYR A 133 10.617 -23.341 25.956 1.00 0.00 N ATOM 1673 CA TYR A 133 11.652 -22.873 26.862 1.00 0.00 C ATOM 1674 C TYR A 133 12.874 -23.791 26.819 1.00 0.00 C ATOM 1675 O TYR A 133 12.745 -24.991 26.583 1.00 0.00 O ATOM 1676 CB TYR A 133 11.040 -22.922 28.263 1.00 0.00 C ATOM 1677 CG TYR A 133 11.948 -22.364 29.360 1.00 0.00 C ATOM 1678 CD1 TYR A 133 12.369 -21.050 29.304 1.00 0.00 C ATOM 1679 CD2 TYR A 133 12.347 -23.172 30.404 1.00 0.00 C ATOM 1680 CE1 TYR A 133 13.224 -20.525 30.336 1.00 0.00 C ATOM 1681 CE2 TYR A 133 13.203 -22.647 31.436 1.00 0.00 C ATOM 1682 CZ TYR A 133 13.599 -21.349 31.352 1.00 0.00 C ATOM 1683 OH TYR A 133 14.407 -20.851 32.326 1.00 0.00 O ATOM 0 H TYR A 133 9.942 -23.982 26.374 1.00 0.00 H new ATOM 0 HA TYR A 133 11.981 -21.871 26.585 1.00 0.00 H new ATOM 0 HB2 TYR A 133 10.105 -22.361 28.260 1.00 0.00 H new ATOM 0 HB3 TYR A 133 10.791 -23.956 28.503 1.00 0.00 H new ATOM 0 HD1 TYR A 133 12.057 -20.417 28.487 1.00 0.00 H new ATOM 0 HD2 TYR A 133 12.017 -24.199 30.448 1.00 0.00 H new ATOM 0 HE1 TYR A 133 13.561 -19.499 30.305 1.00 0.00 H new ATOM 0 HE2 TYR A 133 13.523 -23.270 32.258 1.00 0.00 H new ATOM 0 HH TYR A 133 14.592 -21.551 32.987 1.00 0.00 H new TER 1692 TYR A 133