USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 582 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 57 THR OG1 : rot 72:sc= 1.19 USER MOD Set 1.2: A 61 GLN : amide:sc= -0.0875 K(o=1.1,f=-0.73) USER MOD Set 2.1: A 40 ASN : amide:sc= -0.172 K(o=-0.19,f=-2.8!) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= -0.0195 USER MOD Set 3.1: A 16 THR OG1 : rot 64:sc= 0.352 USER MOD Set 3.2: A 20 CYS SG : rot 88:sc= 0.325 USER MOD Set 4.1: A 5 GLN :FLIP amide:sc= 0.977 F(o=0.21,f=2.2) USER MOD Set 4.2: A 35 THR OG1 : rot 175:sc= 1.25 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -154:sc= 0.887 (180deg=0.156) USER MOD Single : A 10 MET CE :methyl -129:sc= 0 (180deg=-0.0565) USER MOD Single : A 11 GLN :FLIP amide:sc= 0.0445 F(o=-2.9!,f=0.044) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= -0.564 (180deg=-0.564) USER MOD Single : A 17 CYS SG : rot -102:sc= 0.157 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= 0.661 (180deg=0.318) USER MOD Single : A 31 MET CE :methyl -176:sc= -0.0298 (180deg=-0.0507) USER MOD Single : A 38 ASN : amide:sc= 1.21 K(o=1.2,f=-0.12) USER MOD Single : A 45 THR OG1 : rot 70:sc= 1.26 USER MOD Single : A 47 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.9!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0.0459 USER MOD Single : A 55 THR OG1 : rot -174:sc= 0.468 USER MOD Single : A 63 LYS NZ :NH3+ 144:sc= 1.21 (180deg=0.987) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.375 F(o=-2.1,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.926 -0.324 -26.547 1.00 5.56 N ATOM 2 CA MET A 1 5.400 -0.308 -26.611 1.00 4.19 C ATOM 3 C MET A 1 5.931 0.882 -25.806 1.00 3.01 C ATOM 4 O MET A 1 6.467 1.826 -26.376 1.00 3.43 O ATOM 5 CB MET A 1 5.884 -0.259 -28.072 1.00 5.03 C ATOM 6 CG MET A 1 5.912 -1.625 -28.768 1.00 6.24 C ATOM 7 SD MET A 1 6.493 -1.526 -30.482 1.00 7.60 S ATOM 8 CE MET A 1 6.841 -3.265 -30.819 1.00 8.72 C ATOM 0 H1 MET A 1 3.564 -1.131 -27.093 1.00 5.56 H new ATOM 0 H2 MET A 1 3.622 -0.412 -25.556 1.00 5.56 H new ATOM 0 H3 MET A 1 3.552 0.560 -26.947 1.00 5.56 H new ATOM 0 HA MET A 1 5.789 -1.227 -26.173 1.00 4.19 H new ATOM 0 HB2 MET A 1 5.235 0.411 -28.636 1.00 5.03 H new ATOM 0 HB3 MET A 1 6.885 0.170 -28.098 1.00 5.03 H new ATOM 0 HG2 MET A 1 6.559 -2.300 -28.208 1.00 6.24 H new ATOM 0 HG3 MET A 1 4.911 -2.057 -28.752 1.00 6.24 H new ATOM 0 HE1 MET A 1 7.209 -3.371 -31.840 1.00 8.72 H new ATOM 0 HE2 MET A 1 7.596 -3.627 -30.121 1.00 8.72 H new ATOM 0 HE3 MET A 1 5.928 -3.848 -30.700 1.00 8.72 H new ATOM 20 N LEU A 2 5.734 0.853 -24.486 1.00 2.55 N ATOM 21 CA LEU A 2 6.108 1.910 -23.556 1.00 2.29 C ATOM 22 C LEU A 2 5.788 1.375 -22.160 1.00 1.90 C ATOM 23 O LEU A 2 5.160 0.321 -22.055 1.00 2.50 O ATOM 24 CB LEU A 2 5.332 3.210 -23.867 1.00 3.53 C ATOM 25 CG LEU A 2 6.218 4.287 -24.526 1.00 4.81 C ATOM 26 CD1 LEU A 2 5.520 4.919 -25.737 1.00 5.73 C ATOM 27 CD2 LEU A 2 6.565 5.382 -23.512 1.00 6.16 C ATOM 0 H LEU A 2 5.292 0.060 -24.022 1.00 2.55 H new ATOM 0 HA LEU A 2 7.165 2.166 -23.636 1.00 2.29 H new ATOM 0 HB2 LEU A 2 4.495 2.980 -24.526 1.00 3.53 H new ATOM 0 HB3 LEU A 2 4.911 3.607 -22.943 1.00 3.53 H new ATOM 0 HG LEU A 2 7.131 3.800 -24.867 1.00 4.81 H new ATOM 0 HD11 LEU A 2 6.170 5.674 -26.179 1.00 5.73 H new ATOM 0 HD12 LEU A 2 5.305 4.148 -26.476 1.00 5.73 H new ATOM 0 HD13 LEU A 2 4.588 5.385 -25.417 1.00 5.73 H new ATOM 0 HD21 LEU A 2 7.191 6.136 -23.990 1.00 6.16 H new ATOM 0 HD22 LEU A 2 5.648 5.848 -23.151 1.00 6.16 H new ATOM 0 HD23 LEU A 2 7.104 4.943 -22.672 1.00 6.16 H new ATOM 39 N SER A 3 6.230 2.085 -21.122 1.00 1.58 N ATOM 40 CA SER A 3 5.866 1.818 -19.738 1.00 1.24 C ATOM 41 C SER A 3 4.789 2.822 -19.340 1.00 1.00 C ATOM 42 O SER A 3 4.789 3.947 -19.839 1.00 1.26 O ATOM 43 CB SER A 3 7.094 1.964 -18.834 1.00 1.46 C ATOM 44 OG SER A 3 8.154 1.168 -19.329 1.00 2.55 O ATOM 0 H SER A 3 6.864 2.877 -21.226 1.00 1.58 H new ATOM 0 HA SER A 3 5.491 0.800 -19.630 1.00 1.24 H new ATOM 0 HB2 SER A 3 7.402 3.009 -18.790 1.00 1.46 H new ATOM 0 HB3 SER A 3 6.845 1.662 -17.817 1.00 1.46 H new ATOM 0 HG SER A 3 8.937 1.267 -18.748 1.00 2.55 H new ATOM 50 N GLU A 4 3.888 2.424 -18.443 1.00 0.69 N ATOM 51 CA GLU A 4 2.788 3.246 -17.978 1.00 0.49 C ATOM 52 C GLU A 4 2.424 2.761 -16.578 1.00 0.44 C ATOM 53 O GLU A 4 2.482 1.562 -16.304 1.00 0.59 O ATOM 54 CB GLU A 4 1.627 3.181 -18.982 1.00 0.59 C ATOM 55 CG GLU A 4 1.113 1.757 -19.248 1.00 1.64 C ATOM 56 CD GLU A 4 0.449 1.659 -20.616 1.00 2.18 C ATOM 57 OE1 GLU A 4 1.209 1.583 -21.608 1.00 3.28 O ATOM 58 OE2 GLU A 4 -0.799 1.672 -20.647 1.00 2.61 O ATOM 0 H GLU A 4 3.909 1.499 -18.014 1.00 0.69 H new ATOM 0 HA GLU A 4 3.056 4.301 -17.914 1.00 0.49 H new ATOM 0 HB2 GLU A 4 0.803 3.791 -18.610 1.00 0.59 H new ATOM 0 HB3 GLU A 4 1.950 3.622 -19.925 1.00 0.59 H new ATOM 0 HG2 GLU A 4 1.942 1.052 -19.192 1.00 1.64 H new ATOM 0 HG3 GLU A 4 0.400 1.474 -18.473 1.00 1.64 H new ATOM 65 N GLN A 5 2.130 3.701 -15.681 1.00 0.37 N ATOM 66 CA GLN A 5 1.960 3.432 -14.262 1.00 0.27 C ATOM 67 C GLN A 5 0.483 3.369 -13.889 1.00 0.29 C ATOM 68 O GLN A 5 -0.360 3.827 -14.660 1.00 0.41 O ATOM 69 CB GLN A 5 2.720 4.489 -13.462 1.00 0.24 C ATOM 70 CG GLN A 5 2.145 5.910 -13.578 1.00 0.25 C ATOM 71 CD GLN A 5 2.952 6.864 -12.710 1.00 0.33 C ATOM 72 OE1 GLN A 5 3.126 6.487 -11.451 1.00 0.68 O flip ATOM 73 NE2 GLN A 5 3.421 7.904 -13.160 1.00 0.68 N flip ATOM 0 H GLN A 5 2.002 4.683 -15.927 1.00 0.37 H new ATOM 0 HA GLN A 5 2.375 2.454 -14.019 1.00 0.27 H new ATOM 0 HB2 GLN A 5 2.726 4.197 -12.412 1.00 0.24 H new ATOM 0 HB3 GLN A 5 3.758 4.502 -13.795 1.00 0.24 H new ATOM 0 HG2 GLN A 5 2.170 6.239 -14.617 1.00 0.25 H new ATOM 0 HG3 GLN A 5 1.100 5.916 -13.267 1.00 0.25 H new ATOM 0 HE21 GLN A 5 3.262 8.155 -14.136 1.00 0.68 H new ATOM 0 HE22 GLN A 5 3.970 8.518 -12.558 1.00 0.68 H new ATOM 82 N LYS A 6 0.158 2.825 -12.710 1.00 0.25 N ATOM 83 CA LYS A 6 -1.225 2.694 -12.284 1.00 0.32 C ATOM 84 C LYS A 6 -1.393 2.838 -10.773 1.00 0.31 C ATOM 85 O LYS A 6 -0.508 2.534 -9.974 1.00 0.34 O ATOM 86 CB LYS A 6 -1.830 1.377 -12.806 1.00 0.37 C ATOM 87 CG LYS A 6 -2.800 1.604 -13.974 1.00 0.54 C ATOM 88 CD LYS A 6 -4.207 2.046 -13.516 1.00 1.43 C ATOM 89 CE LYS A 6 -4.710 3.269 -14.307 1.00 2.43 C ATOM 90 NZ LYS A 6 -6.030 3.766 -13.849 1.00 3.34 N ATOM 0 H LYS A 6 0.840 2.471 -12.040 1.00 0.25 H new ATOM 0 HA LYS A 6 -1.780 3.522 -12.725 1.00 0.32 H new ATOM 0 HB2 LYS A 6 -1.027 0.713 -13.127 1.00 0.37 H new ATOM 0 HB3 LYS A 6 -2.354 0.874 -11.994 1.00 0.37 H new ATOM 0 HG2 LYS A 6 -2.387 2.362 -14.640 1.00 0.54 H new ATOM 0 HG3 LYS A 6 -2.885 0.684 -14.552 1.00 0.54 H new ATOM 0 HD2 LYS A 6 -4.906 1.219 -13.642 1.00 1.43 H new ATOM 0 HD3 LYS A 6 -4.184 2.285 -12.453 1.00 1.43 H new ATOM 0 HE2 LYS A 6 -3.978 4.073 -14.222 1.00 2.43 H new ATOM 0 HE3 LYS A 6 -4.775 3.007 -15.363 1.00 2.43 H new ATOM 0 HZ1 LYS A 6 -6.508 4.255 -14.633 1.00 3.34 H new ATOM 0 HZ2 LYS A 6 -6.613 2.964 -13.535 1.00 3.34 H new ATOM 0 HZ3 LYS A 6 -5.896 4.428 -13.058 1.00 3.34 H new ATOM 104 N GLU A 7 -2.592 3.316 -10.453 1.00 0.28 N ATOM 105 CA GLU A 7 -3.250 3.462 -9.171 1.00 0.32 C ATOM 106 C GLU A 7 -3.926 2.128 -8.835 1.00 0.45 C ATOM 107 O GLU A 7 -4.946 1.793 -9.440 1.00 0.97 O ATOM 108 CB GLU A 7 -4.297 4.601 -9.302 1.00 0.41 C ATOM 109 CG GLU A 7 -4.910 4.674 -10.716 1.00 0.72 C ATOM 110 CD GLU A 7 -6.195 5.464 -10.837 1.00 1.17 C ATOM 111 OE1 GLU A 7 -6.496 6.276 -9.941 1.00 1.67 O ATOM 112 OE2 GLU A 7 -6.835 5.217 -11.884 1.00 2.43 O ATOM 0 H GLU A 7 -3.203 3.655 -11.196 1.00 0.28 H new ATOM 0 HA GLU A 7 -2.549 3.714 -8.375 1.00 0.32 H new ATOM 0 HB2 GLU A 7 -5.091 4.447 -8.572 1.00 0.41 H new ATOM 0 HB3 GLU A 7 -3.825 5.554 -9.063 1.00 0.41 H new ATOM 0 HG2 GLU A 7 -4.172 5.111 -11.389 1.00 0.72 H new ATOM 0 HG3 GLU A 7 -5.096 3.658 -11.064 1.00 0.72 H new ATOM 119 N ILE A 8 -3.374 1.357 -7.894 1.00 0.20 N ATOM 120 CA ILE A 8 -4.108 0.244 -7.304 1.00 0.20 C ATOM 121 C ILE A 8 -4.832 0.783 -6.072 1.00 0.20 C ATOM 122 O ILE A 8 -4.309 1.682 -5.414 1.00 0.24 O ATOM 123 CB ILE A 8 -3.157 -0.922 -6.968 1.00 0.23 C ATOM 124 CG1 ILE A 8 -3.849 -2.290 -7.102 1.00 0.46 C ATOM 125 CG2 ILE A 8 -2.523 -0.797 -5.581 1.00 0.36 C ATOM 126 CD1 ILE A 8 -3.341 -2.992 -8.362 1.00 1.21 C ATOM 0 H ILE A 8 -2.430 1.484 -7.530 1.00 0.20 H new ATOM 0 HA ILE A 8 -4.838 -0.163 -8.004 1.00 0.20 H new ATOM 0 HB ILE A 8 -2.357 -0.860 -7.706 1.00 0.23 H new ATOM 0 HG12 ILE A 8 -3.644 -2.902 -6.223 1.00 0.46 H new ATOM 0 HG13 ILE A 8 -4.930 -2.160 -7.155 1.00 0.46 H new ATOM 0 HG21 ILE A 8 -1.865 -1.647 -5.404 1.00 0.36 H new ATOM 0 HG22 ILE A 8 -1.946 0.126 -5.527 1.00 0.36 H new ATOM 0 HG23 ILE A 8 -3.306 -0.781 -4.823 1.00 0.36 H new ATOM 0 HD11 ILE A 8 -3.829 -3.962 -8.460 1.00 1.21 H new ATOM 0 HD12 ILE A 8 -3.568 -2.381 -9.236 1.00 1.21 H new ATOM 0 HD13 ILE A 8 -2.263 -3.134 -8.290 1.00 1.21 H new ATOM 138 N ALA A 9 -6.002 0.222 -5.754 1.00 0.25 N ATOM 139 CA ALA A 9 -6.768 0.522 -4.551 1.00 0.29 C ATOM 140 C ALA A 9 -7.227 -0.800 -3.952 1.00 0.30 C ATOM 141 O ALA A 9 -7.782 -1.621 -4.680 1.00 0.36 O ATOM 142 CB ALA A 9 -7.952 1.434 -4.884 1.00 0.34 C ATOM 0 H ALA A 9 -6.452 -0.474 -6.348 1.00 0.25 H new ATOM 0 HA ALA A 9 -6.155 1.057 -3.826 1.00 0.29 H new ATOM 0 HB1 ALA A 9 -8.513 1.648 -3.975 1.00 0.34 H new ATOM 0 HB2 ALA A 9 -7.584 2.367 -5.311 1.00 0.34 H new ATOM 0 HB3 ALA A 9 -8.603 0.937 -5.604 1.00 0.34 H new ATOM 148 N MET A 10 -6.936 -1.040 -2.669 1.00 0.28 N ATOM 149 CA MET A 10 -7.135 -2.342 -2.043 1.00 0.30 C ATOM 150 C MET A 10 -7.279 -2.165 -0.527 1.00 0.31 C ATOM 151 O MET A 10 -6.963 -1.092 -0.008 1.00 0.33 O ATOM 152 CB MET A 10 -5.966 -3.261 -2.422 1.00 0.41 C ATOM 153 CG MET A 10 -4.635 -2.705 -1.911 1.00 0.44 C ATOM 154 SD MET A 10 -3.155 -3.339 -2.736 1.00 1.06 S ATOM 155 CE MET A 10 -1.930 -2.187 -2.072 1.00 0.79 C ATOM 0 H MET A 10 -6.556 -0.334 -2.039 1.00 0.28 H new ATOM 0 HA MET A 10 -8.053 -2.809 -2.400 1.00 0.30 H new ATOM 0 HB2 MET A 10 -6.132 -4.255 -2.006 1.00 0.41 H new ATOM 0 HB3 MET A 10 -5.924 -3.372 -3.505 1.00 0.41 H new ATOM 0 HG2 MET A 10 -4.651 -1.620 -2.015 1.00 0.44 H new ATOM 0 HG3 MET A 10 -4.556 -2.922 -0.846 1.00 0.44 H new ATOM 0 HE1 MET A 10 -1.351 -1.760 -2.891 1.00 0.79 H new ATOM 0 HE2 MET A 10 -2.437 -1.388 -1.531 1.00 0.79 H new ATOM 0 HE3 MET A 10 -1.262 -2.717 -1.393 1.00 0.79 H new ATOM 165 N GLN A 11 -7.759 -3.195 0.181 1.00 0.31 N ATOM 166 CA GLN A 11 -8.050 -3.090 1.606 1.00 0.32 C ATOM 167 C GLN A 11 -6.864 -3.629 2.390 1.00 0.34 C ATOM 168 O GLN A 11 -6.099 -4.447 1.880 1.00 0.45 O ATOM 169 CB GLN A 11 -9.381 -3.740 2.046 1.00 0.35 C ATOM 170 CG GLN A 11 -10.462 -3.920 0.973 1.00 0.41 C ATOM 171 CD GLN A 11 -10.258 -5.202 0.169 1.00 0.90 C ATOM 172 OE1 GLN A 11 -9.573 -5.107 -0.962 1.00 2.02 O flip ATOM 173 NE2 GLN A 11 -10.688 -6.276 0.574 1.00 0.61 N flip ATOM 0 H GLN A 11 -7.953 -4.113 -0.218 1.00 0.31 H new ATOM 0 HA GLN A 11 -8.198 -2.033 1.827 1.00 0.32 H new ATOM 0 HB2 GLN A 11 -9.156 -4.720 2.466 1.00 0.35 H new ATOM 0 HB3 GLN A 11 -9.801 -3.137 2.851 1.00 0.35 H new ATOM 0 HG2 GLN A 11 -11.444 -3.941 1.446 1.00 0.41 H new ATOM 0 HG3 GLN A 11 -10.451 -3.063 0.299 1.00 0.41 H new ATOM 0 HE21 GLN A 11 -11.212 -6.319 1.448 1.00 0.61 H new ATOM 0 HE22 GLN A 11 -10.522 -7.127 0.037 1.00 0.61 H new ATOM 182 N VAL A 12 -6.717 -3.168 3.629 1.00 0.33 N ATOM 183 CA VAL A 12 -5.690 -3.652 4.537 1.00 0.31 C ATOM 184 C VAL A 12 -6.372 -4.207 5.771 1.00 0.35 C ATOM 185 O VAL A 12 -7.548 -3.932 6.001 1.00 0.60 O ATOM 186 CB VAL A 12 -4.654 -2.558 4.873 1.00 0.40 C ATOM 187 CG1 VAL A 12 -3.244 -3.146 4.951 1.00 0.52 C ATOM 188 CG2 VAL A 12 -4.612 -1.459 3.811 1.00 0.41 C ATOM 0 H VAL A 12 -7.312 -2.444 4.031 1.00 0.33 H new ATOM 0 HA VAL A 12 -5.119 -4.447 4.057 1.00 0.31 H new ATOM 0 HB VAL A 12 -4.964 -2.142 5.832 1.00 0.40 H new ATOM 0 HG11 VAL A 12 -2.533 -2.355 5.189 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -3.211 -3.910 5.728 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -2.982 -3.593 3.992 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -3.869 -0.712 4.090 1.00 0.41 H new ATOM 0 HG22 VAL A 12 -4.345 -1.894 2.848 1.00 0.41 H new ATOM 0 HG23 VAL A 12 -5.592 -0.987 3.737 1.00 0.41 H new ATOM 198 N SER A 13 -5.641 -4.999 6.550 1.00 0.31 N ATOM 199 CA SER A 13 -6.117 -5.542 7.802 1.00 0.39 C ATOM 200 C SER A 13 -5.042 -5.256 8.854 1.00 0.44 C ATOM 201 O SER A 13 -3.852 -5.387 8.566 1.00 0.64 O ATOM 202 CB SER A 13 -6.424 -7.032 7.591 1.00 0.69 C ATOM 203 OG SER A 13 -7.535 -7.413 8.378 1.00 1.09 O ATOM 0 H SER A 13 -4.688 -5.281 6.319 1.00 0.31 H new ATOM 0 HA SER A 13 -7.043 -5.088 8.155 1.00 0.39 H new ATOM 0 HB2 SER A 13 -6.631 -7.224 6.538 1.00 0.69 H new ATOM 0 HB3 SER A 13 -5.555 -7.632 7.859 1.00 0.69 H new ATOM 0 HG SER A 13 -7.725 -8.364 8.237 1.00 1.09 H new ATOM 209 N GLY A 14 -5.456 -4.802 10.043 1.00 0.44 N ATOM 210 CA GLY A 14 -4.567 -4.467 11.152 1.00 0.64 C ATOM 211 C GLY A 14 -4.493 -2.963 11.448 1.00 0.76 C ATOM 212 O GLY A 14 -3.964 -2.575 12.488 1.00 1.34 O ATOM 0 H GLY A 14 -6.441 -4.655 10.262 1.00 0.44 H new ATOM 0 HA2 GLY A 14 -4.905 -4.989 12.048 1.00 0.64 H new ATOM 0 HA3 GLY A 14 -3.566 -4.834 10.928 1.00 0.64 H new ATOM 216 N MET A 15 -5.002 -2.099 10.559 1.00 0.66 N ATOM 217 CA MET A 15 -5.032 -0.664 10.809 1.00 0.78 C ATOM 218 C MET A 15 -5.813 -0.327 12.088 1.00 0.88 C ATOM 219 O MET A 15 -6.728 -1.052 12.474 1.00 0.98 O ATOM 220 CB MET A 15 -5.619 0.081 9.601 1.00 0.98 C ATOM 221 CG MET A 15 -7.044 -0.363 9.234 1.00 0.93 C ATOM 222 SD MET A 15 -7.206 -1.532 7.871 1.00 2.55 S ATOM 223 CE MET A 15 -6.894 -0.435 6.475 1.00 3.40 C ATOM 0 H MET A 15 -5.398 -2.376 9.661 1.00 0.66 H new ATOM 0 HA MET A 15 -4.004 -0.333 10.957 1.00 0.78 H new ATOM 0 HB2 MET A 15 -5.624 1.150 9.812 1.00 0.98 H new ATOM 0 HB3 MET A 15 -4.968 -0.071 8.740 1.00 0.98 H new ATOM 0 HG2 MET A 15 -7.500 -0.808 10.119 1.00 0.93 H new ATOM 0 HG3 MET A 15 -7.625 0.527 8.989 1.00 0.93 H new ATOM 0 HE1 MET A 15 -6.956 -1.002 5.546 1.00 3.40 H new ATOM 0 HE2 MET A 15 -7.638 0.362 6.465 1.00 3.40 H new ATOM 0 HE3 MET A 15 -5.899 -0.001 6.569 1.00 3.40 H new ATOM 233 N THR A 16 -5.471 0.800 12.718 1.00 1.33 N ATOM 234 CA THR A 16 -6.150 1.318 13.905 1.00 1.64 C ATOM 235 C THR A 16 -6.325 2.841 13.791 1.00 1.18 C ATOM 236 O THR A 16 -6.303 3.562 14.786 1.00 1.59 O ATOM 237 CB THR A 16 -5.364 0.895 15.158 1.00 2.63 C ATOM 238 OG1 THR A 16 -3.974 1.021 14.923 1.00 3.40 O ATOM 239 CG2 THR A 16 -5.648 -0.566 15.524 1.00 3.09 C ATOM 0 H THR A 16 -4.698 1.389 12.409 1.00 1.33 H new ATOM 0 HA THR A 16 -7.152 0.897 13.988 1.00 1.64 H new ATOM 0 HB THR A 16 -5.679 1.544 15.975 1.00 2.63 H new ATOM 0 HG1 THR A 16 -3.753 1.962 14.762 1.00 3.40 H new ATOM 0 HG21 THR A 16 -5.078 -0.836 16.413 1.00 3.09 H new ATOM 0 HG22 THR A 16 -6.712 -0.691 15.723 1.00 3.09 H new ATOM 0 HG23 THR A 16 -5.356 -1.212 14.696 1.00 3.09 H new ATOM 247 N CYS A 17 -6.528 3.328 12.563 1.00 1.12 N ATOM 248 CA CYS A 17 -6.662 4.749 12.251 1.00 1.89 C ATOM 249 C CYS A 17 -5.476 5.560 12.786 1.00 1.71 C ATOM 250 O CYS A 17 -4.368 5.037 12.742 1.00 2.13 O ATOM 251 CB CYS A 17 -8.060 5.259 12.622 1.00 2.80 C ATOM 252 SG CYS A 17 -8.440 6.710 11.607 1.00 4.21 S ATOM 0 H CYS A 17 -6.605 2.729 11.741 1.00 1.12 H new ATOM 0 HA CYS A 17 -6.600 4.898 11.173 1.00 1.89 H new ATOM 0 HB2 CYS A 17 -8.803 4.478 12.457 1.00 2.80 H new ATOM 0 HB3 CYS A 17 -8.099 5.518 13.680 1.00 2.80 H new ATOM 0 HG CYS A 17 -8.279 7.789 12.314 1.00 4.21 H new ATOM 258 N ALA A 18 -5.652 6.813 13.225 1.00 1.69 N ATOM 259 CA ALA A 18 -4.613 7.666 13.807 1.00 1.68 C ATOM 260 C ALA A 18 -3.229 7.514 13.149 1.00 1.53 C ATOM 261 O ALA A 18 -2.228 7.315 13.831 1.00 2.50 O ATOM 262 CB ALA A 18 -4.569 7.436 15.321 1.00 1.94 C ATOM 0 H ALA A 18 -6.559 7.277 13.182 1.00 1.69 H new ATOM 0 HA ALA A 18 -4.885 8.702 13.603 1.00 1.68 H new ATOM 0 HB1 ALA A 18 -3.798 8.067 15.763 1.00 1.94 H new ATOM 0 HB2 ALA A 18 -5.537 7.687 15.755 1.00 1.94 H new ATOM 0 HB3 ALA A 18 -4.341 6.390 15.524 1.00 1.94 H new ATOM 268 N ALA A 19 -3.179 7.628 11.815 1.00 1.25 N ATOM 269 CA ALA A 19 -1.955 7.586 11.008 1.00 0.94 C ATOM 270 C ALA A 19 -1.223 6.232 11.039 1.00 0.75 C ATOM 271 O ALA A 19 -0.079 6.139 10.596 1.00 0.69 O ATOM 272 CB ALA A 19 -1.020 8.742 11.392 1.00 1.15 C ATOM 0 H ALA A 19 -4.019 7.756 11.250 1.00 1.25 H new ATOM 0 HA ALA A 19 -2.270 7.710 9.972 1.00 0.94 H new ATOM 0 HB1 ALA A 19 -0.116 8.696 10.784 1.00 1.15 H new ATOM 0 HB2 ALA A 19 -1.526 9.692 11.219 1.00 1.15 H new ATOM 0 HB3 ALA A 19 -0.753 8.659 12.446 1.00 1.15 H new ATOM 278 N CYS A 20 -1.869 5.171 11.520 1.00 0.82 N ATOM 279 CA CYS A 20 -1.269 3.844 11.609 1.00 0.92 C ATOM 280 C CYS A 20 -1.149 3.259 10.209 1.00 0.78 C ATOM 281 O CYS A 20 -0.048 3.009 9.727 1.00 0.77 O ATOM 282 CB CYS A 20 -2.066 2.925 12.545 1.00 1.18 C ATOM 283 SG CYS A 20 -1.808 3.438 14.264 1.00 1.69 S ATOM 0 H CYS A 20 -2.830 5.210 11.861 1.00 0.82 H new ATOM 0 HA CYS A 20 -0.273 3.930 12.043 1.00 0.92 H new ATOM 0 HB2 CYS A 20 -3.127 2.968 12.297 1.00 1.18 H new ATOM 0 HB3 CYS A 20 -1.749 1.891 12.412 1.00 1.18 H new ATOM 0 HG CYS A 20 -2.681 4.347 14.581 1.00 1.69 H new ATOM 289 N ALA A 21 -2.283 3.085 9.520 1.00 0.74 N ATOM 290 CA ALA A 21 -2.302 2.556 8.160 1.00 0.77 C ATOM 291 C ALA A 21 -1.345 3.324 7.248 1.00 0.67 C ATOM 292 O ALA A 21 -0.611 2.756 6.446 1.00 0.93 O ATOM 293 CB ALA A 21 -3.714 2.635 7.594 1.00 0.79 C ATOM 0 H ALA A 21 -3.207 3.307 9.891 1.00 0.74 H new ATOM 0 HA ALA A 21 -1.976 1.517 8.201 1.00 0.77 H new ATOM 0 HB1 ALA A 21 -3.722 2.239 6.579 1.00 0.79 H new ATOM 0 HB2 ALA A 21 -4.389 2.049 8.217 1.00 0.79 H new ATOM 0 HB3 ALA A 21 -4.043 3.674 7.580 1.00 0.79 H new ATOM 299 N ALA A 22 -1.354 4.645 7.403 1.00 0.41 N ATOM 300 CA ALA A 22 -0.486 5.552 6.682 1.00 0.37 C ATOM 301 C ALA A 22 0.978 5.105 6.748 1.00 0.34 C ATOM 302 O ALA A 22 1.663 5.132 5.728 1.00 0.36 O ATOM 303 CB ALA A 22 -0.679 6.959 7.250 1.00 0.34 C ATOM 0 H ALA A 22 -1.983 5.119 8.051 1.00 0.41 H new ATOM 0 HA ALA A 22 -0.752 5.550 5.625 1.00 0.37 H new ATOM 0 HB1 ALA A 22 -0.033 7.658 6.719 1.00 0.34 H new ATOM 0 HB2 ALA A 22 -1.719 7.262 7.127 1.00 0.34 H new ATOM 0 HB3 ALA A 22 -0.423 6.962 8.310 1.00 0.34 H new ATOM 309 N ARG A 23 1.464 4.672 7.919 1.00 0.34 N ATOM 310 CA ARG A 23 2.824 4.155 8.053 1.00 0.35 C ATOM 311 C ARG A 23 3.050 2.955 7.136 1.00 0.35 C ATOM 312 O ARG A 23 4.110 2.847 6.519 1.00 0.42 O ATOM 313 CB ARG A 23 3.124 3.766 9.507 1.00 0.44 C ATOM 314 CG ARG A 23 3.332 4.998 10.399 1.00 0.54 C ATOM 315 CD ARG A 23 4.827 5.334 10.505 1.00 1.04 C ATOM 316 NE ARG A 23 5.535 4.298 11.278 1.00 2.67 N ATOM 317 CZ ARG A 23 6.865 4.126 11.335 1.00 3.71 C ATOM 318 NH1 ARG A 23 7.674 4.944 10.654 1.00 3.51 N ATOM 319 NH2 ARG A 23 7.378 3.135 12.073 1.00 5.63 N ATOM 0 H ARG A 23 0.930 4.671 8.788 1.00 0.34 H new ATOM 0 HA ARG A 23 3.506 4.951 7.756 1.00 0.35 H new ATOM 0 HB2 ARG A 23 2.301 3.168 9.900 1.00 0.44 H new ATOM 0 HB3 ARG A 23 4.016 3.140 9.539 1.00 0.44 H new ATOM 0 HG2 ARG A 23 2.789 5.849 9.987 1.00 0.54 H new ATOM 0 HG3 ARG A 23 2.923 4.810 11.392 1.00 0.54 H new ATOM 0 HD2 ARG A 23 5.260 5.412 9.508 1.00 1.04 H new ATOM 0 HD3 ARG A 23 4.955 6.305 10.984 1.00 1.04 H new ATOM 0 HE ARG A 23 4.961 3.652 11.820 1.00 2.67 H new ATOM 0 HH11 ARG A 23 7.280 5.698 10.091 1.00 3.51 H new ATOM 0 HH12 ARG A 23 8.685 4.814 10.697 1.00 3.51 H new ATOM 0 HH21 ARG A 23 6.759 2.512 12.591 1.00 5.63 H new ATOM 0 HH22 ARG A 23 8.388 3.003 12.118 1.00 5.63 H new ATOM 333 N ILE A 24 2.060 2.061 7.051 1.00 0.31 N ATOM 334 CA ILE A 24 2.142 0.867 6.223 1.00 0.37 C ATOM 335 C ILE A 24 2.481 1.313 4.802 1.00 0.34 C ATOM 336 O ILE A 24 3.513 0.948 4.239 1.00 0.35 O ATOM 337 CB ILE A 24 0.822 0.063 6.232 1.00 0.43 C ATOM 338 CG1 ILE A 24 0.244 -0.180 7.633 1.00 0.44 C ATOM 339 CG2 ILE A 24 1.063 -1.285 5.543 1.00 0.80 C ATOM 340 CD1 ILE A 24 -1.132 -0.854 7.553 1.00 0.55 C ATOM 0 H ILE A 24 1.180 2.151 7.558 1.00 0.31 H new ATOM 0 HA ILE A 24 2.911 0.205 6.620 1.00 0.37 H new ATOM 0 HB ILE A 24 0.084 0.664 5.700 1.00 0.43 H new ATOM 0 HG12 ILE A 24 0.926 -0.806 8.208 1.00 0.44 H new ATOM 0 HG13 ILE A 24 0.158 0.768 8.164 1.00 0.44 H new ATOM 0 HG21 ILE A 24 0.139 -1.863 5.542 1.00 0.80 H new ATOM 0 HG22 ILE A 24 1.386 -1.116 4.516 1.00 0.80 H new ATOM 0 HG23 ILE A 24 1.835 -1.835 6.080 1.00 0.80 H new ATOM 0 HD11 ILE A 24 -1.518 -1.014 8.560 1.00 0.55 H new ATOM 0 HD12 ILE A 24 -1.819 -0.214 6.999 1.00 0.55 H new ATOM 0 HD13 ILE A 24 -1.038 -1.813 7.044 1.00 0.55 H new ATOM 352 N GLU A 25 1.601 2.139 4.236 1.00 0.33 N ATOM 353 CA GLU A 25 1.707 2.488 2.834 1.00 0.33 C ATOM 354 C GLU A 25 2.918 3.391 2.597 1.00 0.31 C ATOM 355 O GLU A 25 3.590 3.288 1.577 1.00 0.36 O ATOM 356 CB GLU A 25 0.423 3.165 2.349 1.00 0.36 C ATOM 357 CG GLU A 25 0.105 2.715 0.912 1.00 0.27 C ATOM 358 CD GLU A 25 -0.470 1.301 0.825 1.00 1.24 C ATOM 359 OE1 GLU A 25 -0.571 0.652 1.890 1.00 2.54 O ATOM 360 OE2 GLU A 25 -0.787 0.889 -0.311 1.00 1.98 O ATOM 0 H GLU A 25 0.818 2.571 4.727 1.00 0.33 H new ATOM 0 HA GLU A 25 1.846 1.572 2.260 1.00 0.33 H new ATOM 0 HB2 GLU A 25 -0.405 2.911 3.011 1.00 0.36 H new ATOM 0 HB3 GLU A 25 0.537 4.248 2.383 1.00 0.36 H new ATOM 0 HG2 GLU A 25 -0.605 3.414 0.470 1.00 0.27 H new ATOM 0 HG3 GLU A 25 1.016 2.765 0.315 1.00 0.27 H new ATOM 367 N LYS A 26 3.224 4.287 3.540 1.00 0.29 N ATOM 368 CA LYS A 26 4.435 5.085 3.487 1.00 0.30 C ATOM 369 C LYS A 26 5.676 4.192 3.392 1.00 0.32 C ATOM 370 O LYS A 26 6.623 4.523 2.680 1.00 0.37 O ATOM 371 CB LYS A 26 4.489 5.997 4.712 1.00 0.33 C ATOM 372 CG LYS A 26 3.592 7.234 4.558 1.00 0.41 C ATOM 373 CD LYS A 26 4.249 8.289 3.653 1.00 0.60 C ATOM 374 CE LYS A 26 3.453 9.602 3.737 1.00 0.66 C ATOM 375 NZ LYS A 26 4.062 10.691 2.946 1.00 1.77 N ATOM 0 H LYS A 26 2.638 4.473 4.354 1.00 0.29 H new ATOM 0 HA LYS A 26 4.422 5.704 2.590 1.00 0.30 H new ATOM 0 HB2 LYS A 26 4.181 5.435 5.594 1.00 0.33 H new ATOM 0 HB3 LYS A 26 5.518 6.316 4.880 1.00 0.33 H new ATOM 0 HG2 LYS A 26 2.630 6.939 4.138 1.00 0.41 H new ATOM 0 HG3 LYS A 26 3.392 7.666 5.539 1.00 0.41 H new ATOM 0 HD2 LYS A 26 5.281 8.456 3.961 1.00 0.60 H new ATOM 0 HD3 LYS A 26 4.277 7.934 2.623 1.00 0.60 H new ATOM 0 HE2 LYS A 26 2.436 9.428 3.385 1.00 0.66 H new ATOM 0 HE3 LYS A 26 3.381 9.912 4.779 1.00 0.66 H new ATOM 0 HZ1 LYS A 26 3.485 11.552 3.038 1.00 1.77 H new ATOM 0 HZ2 LYS A 26 5.023 10.879 3.296 1.00 1.77 H new ATOM 0 HZ3 LYS A 26 4.107 10.410 1.946 1.00 1.77 H new ATOM 389 N GLY A 27 5.659 3.043 4.072 1.00 0.32 N ATOM 390 CA GLY A 27 6.635 1.992 3.844 1.00 0.37 C ATOM 391 C GLY A 27 6.734 1.649 2.357 1.00 0.39 C ATOM 392 O GLY A 27 7.829 1.605 1.799 1.00 0.48 O ATOM 0 H GLY A 27 4.970 2.822 4.791 1.00 0.32 H new ATOM 0 HA2 GLY A 27 7.610 2.310 4.213 1.00 0.37 H new ATOM 0 HA3 GLY A 27 6.355 1.102 4.408 1.00 0.37 H new ATOM 396 N LEU A 28 5.602 1.447 1.681 1.00 0.33 N ATOM 397 CA LEU A 28 5.613 1.188 0.248 1.00 0.34 C ATOM 398 C LEU A 28 6.056 2.413 -0.547 1.00 0.31 C ATOM 399 O LEU A 28 6.680 2.245 -1.587 1.00 0.32 O ATOM 400 CB LEU A 28 4.263 0.688 -0.256 1.00 0.35 C ATOM 401 CG LEU A 28 3.765 -0.565 0.468 1.00 0.36 C ATOM 402 CD1 LEU A 28 2.312 -0.747 0.041 1.00 0.37 C ATOM 403 CD2 LEU A 28 4.582 -1.833 0.183 1.00 0.51 C ATOM 0 H LEU A 28 4.673 1.458 2.103 1.00 0.33 H new ATOM 0 HA LEU A 28 6.344 0.396 0.087 1.00 0.34 H new ATOM 0 HB2 LEU A 28 3.525 1.482 -0.141 1.00 0.35 H new ATOM 0 HB3 LEU A 28 4.339 0.475 -1.322 1.00 0.35 H new ATOM 0 HG LEU A 28 3.874 -0.420 1.543 1.00 0.36 H new ATOM 0 HD11 LEU A 28 1.898 -1.630 0.527 1.00 0.37 H new ATOM 0 HD12 LEU A 28 1.735 0.131 0.331 1.00 0.37 H new ATOM 0 HD13 LEU A 28 2.264 -0.872 -1.041 1.00 0.37 H new ATOM 0 HD21 LEU A 28 4.159 -2.671 0.737 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.553 -2.052 -0.884 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.615 -1.678 0.494 1.00 0.51 H new ATOM 415 N LYS A 29 5.795 3.639 -0.077 1.00 0.31 N ATOM 416 CA LYS A 29 6.335 4.834 -0.724 1.00 0.33 C ATOM 417 C LYS A 29 7.878 4.824 -0.731 1.00 0.35 C ATOM 418 O LYS A 29 8.486 5.526 -1.536 1.00 0.42 O ATOM 419 CB LYS A 29 5.696 6.138 -0.200 1.00 0.33 C ATOM 420 CG LYS A 29 6.429 7.376 -0.753 1.00 0.48 C ATOM 421 CD LYS A 29 5.700 8.712 -0.558 1.00 0.78 C ATOM 422 CE LYS A 29 4.352 8.731 -1.296 1.00 0.82 C ATOM 423 NZ LYS A 29 4.093 10.006 -2.007 1.00 1.21 N ATOM 0 H LYS A 29 5.217 3.826 0.743 1.00 0.31 H new ATOM 0 HA LYS A 29 6.042 4.806 -1.774 1.00 0.33 H new ATOM 0 HB2 LYS A 29 4.646 6.174 -0.489 1.00 0.33 H new ATOM 0 HB3 LYS A 29 5.727 6.150 0.889 1.00 0.33 H new ATOM 0 HG2 LYS A 29 7.407 7.442 -0.276 1.00 0.48 H new ATOM 0 HG3 LYS A 29 6.603 7.228 -1.819 1.00 0.48 H new ATOM 0 HD2 LYS A 29 5.536 8.887 0.505 1.00 0.78 H new ATOM 0 HD3 LYS A 29 6.327 9.526 -0.922 1.00 0.78 H new ATOM 0 HE2 LYS A 29 4.326 7.911 -2.013 1.00 0.82 H new ATOM 0 HE3 LYS A 29 3.550 8.553 -0.579 1.00 0.82 H new ATOM 0 HZ1 LYS A 29 3.070 10.191 -2.026 1.00 1.21 H new ATOM 0 HZ2 LYS A 29 4.576 10.783 -1.513 1.00 1.21 H new ATOM 0 HZ3 LYS A 29 4.451 9.939 -2.981 1.00 1.21 H new ATOM 437 N ARG A 30 8.534 4.031 0.123 1.00 0.35 N ATOM 438 CA ARG A 30 9.973 3.803 -0.019 1.00 0.37 C ATOM 439 C ARG A 30 10.335 2.917 -1.228 1.00 0.25 C ATOM 440 O ARG A 30 11.476 2.972 -1.684 1.00 0.44 O ATOM 441 CB ARG A 30 10.571 3.220 1.275 1.00 0.61 C ATOM 442 CG ARG A 30 11.471 4.208 2.023 1.00 0.97 C ATOM 443 CD ARG A 30 10.645 5.287 2.741 1.00 0.95 C ATOM 444 NE ARG A 30 11.459 6.021 3.727 1.00 1.90 N ATOM 445 CZ ARG A 30 11.873 5.524 4.906 1.00 3.07 C ATOM 446 NH1 ARG A 30 11.514 4.286 5.267 1.00 3.85 N ATOM 447 NH2 ARG A 30 12.644 6.259 5.715 1.00 4.04 N ATOM 0 H ARG A 30 8.099 3.544 0.907 1.00 0.35 H new ATOM 0 HA ARG A 30 10.415 4.782 -0.207 1.00 0.37 H new ATOM 0 HB2 ARG A 30 9.760 2.907 1.933 1.00 0.61 H new ATOM 0 HB3 ARG A 30 11.147 2.327 1.031 1.00 0.61 H new ATOM 0 HG2 ARG A 30 12.079 3.670 2.750 1.00 0.97 H new ATOM 0 HG3 ARG A 30 12.157 4.681 1.321 1.00 0.97 H new ATOM 0 HD2 ARG A 30 10.241 5.986 2.008 1.00 0.95 H new ATOM 0 HD3 ARG A 30 9.795 4.823 3.242 1.00 0.95 H new ATOM 0 HE ARG A 30 11.728 6.978 3.498 1.00 1.90 H new ATOM 0 HH11 ARG A 30 10.929 3.724 4.649 1.00 3.85 H new ATOM 0 HH12 ARG A 30 11.826 3.905 6.160 1.00 3.85 H new ATOM 0 HH21 ARG A 30 12.921 7.201 5.439 1.00 4.04 H new ATOM 0 HH22 ARG A 30 12.955 5.877 6.608 1.00 4.04 H new ATOM 461 N MET A 31 9.437 2.050 -1.709 1.00 0.22 N ATOM 462 CA MET A 31 9.805 1.005 -2.665 1.00 0.21 C ATOM 463 C MET A 31 10.090 1.568 -4.072 1.00 0.17 C ATOM 464 O MET A 31 9.315 2.375 -4.586 1.00 0.20 O ATOM 465 CB MET A 31 8.729 -0.092 -2.695 1.00 0.28 C ATOM 466 CG MET A 31 8.729 -0.893 -1.384 1.00 0.43 C ATOM 467 SD MET A 31 10.178 -1.952 -1.116 1.00 1.42 S ATOM 468 CE MET A 31 9.839 -3.282 -2.289 1.00 2.01 C ATOM 0 H MET A 31 8.450 2.053 -1.450 1.00 0.22 H new ATOM 0 HA MET A 31 10.740 0.559 -2.325 1.00 0.21 H new ATOM 0 HB2 MET A 31 7.749 0.358 -2.851 1.00 0.28 H new ATOM 0 HB3 MET A 31 8.910 -0.762 -3.536 1.00 0.28 H new ATOM 0 HG2 MET A 31 8.653 -0.194 -0.551 1.00 0.43 H new ATOM 0 HG3 MET A 31 7.835 -1.517 -1.360 1.00 0.43 H new ATOM 0 HE1 MET A 31 10.604 -4.053 -2.196 1.00 2.01 H new ATOM 0 HE2 MET A 31 8.861 -3.714 -2.077 1.00 2.01 H new ATOM 0 HE3 MET A 31 9.848 -2.883 -3.303 1.00 2.01 H new ATOM 478 N PRO A 32 11.189 1.140 -4.717 1.00 0.21 N ATOM 479 CA PRO A 32 11.658 1.695 -5.981 1.00 0.24 C ATOM 480 C PRO A 32 10.650 1.420 -7.098 1.00 0.26 C ATOM 481 O PRO A 32 10.607 0.302 -7.587 1.00 0.38 O ATOM 482 CB PRO A 32 12.992 0.982 -6.258 1.00 0.30 C ATOM 483 CG PRO A 32 12.846 -0.355 -5.530 1.00 0.31 C ATOM 484 CD PRO A 32 12.046 0.041 -4.293 1.00 0.28 C ATOM 0 HA PRO A 32 11.778 2.777 -5.935 1.00 0.24 H new ATOM 0 HB2 PRO A 32 13.156 0.841 -7.326 1.00 0.30 H new ATOM 0 HB3 PRO A 32 13.838 1.554 -5.878 1.00 0.30 H new ATOM 0 HG2 PRO A 32 12.321 -1.094 -6.136 1.00 0.31 H new ATOM 0 HG3 PRO A 32 13.813 -0.785 -5.270 1.00 0.31 H new ATOM 0 HD2 PRO A 32 11.455 -0.797 -3.923 1.00 0.28 H new ATOM 0 HD3 PRO A 32 12.705 0.349 -3.481 1.00 0.28 H new ATOM 492 N GLY A 33 9.826 2.398 -7.490 1.00 0.23 N ATOM 493 CA GLY A 33 8.831 2.247 -8.550 1.00 0.19 C ATOM 494 C GLY A 33 7.503 2.876 -8.136 1.00 0.21 C ATOM 495 O GLY A 33 6.625 3.095 -8.968 1.00 0.22 O ATOM 0 H GLY A 33 9.834 3.328 -7.072 1.00 0.23 H new ATOM 0 HA2 GLY A 33 9.192 2.717 -9.465 1.00 0.19 H new ATOM 0 HA3 GLY A 33 8.685 1.190 -8.771 1.00 0.19 H new ATOM 499 N VAL A 34 7.339 3.158 -6.840 1.00 0.24 N ATOM 500 CA VAL A 34 6.205 3.913 -6.341 1.00 0.21 C ATOM 501 C VAL A 34 6.319 5.391 -6.714 1.00 0.25 C ATOM 502 O VAL A 34 7.417 5.909 -6.906 1.00 0.30 O ATOM 503 CB VAL A 34 6.122 3.704 -4.827 1.00 0.19 C ATOM 504 CG1 VAL A 34 7.250 4.474 -4.128 1.00 0.27 C ATOM 505 CG2 VAL A 34 4.745 4.093 -4.271 1.00 0.26 C ATOM 0 H VAL A 34 7.993 2.866 -6.114 1.00 0.24 H new ATOM 0 HA VAL A 34 5.284 3.557 -6.802 1.00 0.21 H new ATOM 0 HB VAL A 34 6.250 2.641 -4.623 1.00 0.19 H new ATOM 0 HG11 VAL A 34 7.183 4.319 -3.051 1.00 0.27 H new ATOM 0 HG12 VAL A 34 8.214 4.113 -4.487 1.00 0.27 H new ATOM 0 HG13 VAL A 34 7.156 5.537 -4.348 1.00 0.27 H new ATOM 0 HG21 VAL A 34 4.728 3.930 -3.193 1.00 0.26 H new ATOM 0 HG22 VAL A 34 4.552 5.145 -4.482 1.00 0.26 H new ATOM 0 HG23 VAL A 34 3.976 3.481 -4.743 1.00 0.26 H new ATOM 515 N THR A 35 5.175 6.072 -6.793 1.00 0.26 N ATOM 516 CA THR A 35 5.077 7.518 -6.961 1.00 0.28 C ATOM 517 C THR A 35 4.311 8.125 -5.786 1.00 0.28 C ATOM 518 O THR A 35 4.826 9.023 -5.112 1.00 0.42 O ATOM 519 CB THR A 35 4.462 7.867 -8.329 1.00 0.34 C ATOM 520 OG1 THR A 35 4.291 6.688 -9.087 1.00 0.47 O ATOM 521 CG2 THR A 35 5.378 8.767 -9.158 1.00 0.41 C ATOM 0 H THR A 35 4.264 5.616 -6.740 1.00 0.26 H new ATOM 0 HA THR A 35 6.074 7.958 -6.956 1.00 0.28 H new ATOM 0 HB THR A 35 3.520 8.375 -8.124 1.00 0.34 H new ATOM 0 HG1 THR A 35 3.826 6.901 -9.923 1.00 0.47 H new ATOM 0 HG21 THR A 35 4.903 8.987 -10.114 1.00 0.41 H new ATOM 0 HG22 THR A 35 5.558 9.697 -8.620 1.00 0.41 H new ATOM 0 HG23 THR A 35 6.327 8.259 -9.332 1.00 0.41 H new ATOM 529 N ASP A 36 3.099 7.627 -5.500 1.00 0.20 N ATOM 530 CA ASP A 36 2.339 8.122 -4.358 1.00 0.23 C ATOM 531 C ASP A 36 1.559 7.034 -3.625 1.00 0.31 C ATOM 532 O ASP A 36 1.226 6.017 -4.221 1.00 0.49 O ATOM 533 CB ASP A 36 1.468 9.325 -4.727 1.00 0.39 C ATOM 534 CG ASP A 36 0.760 9.841 -3.486 1.00 1.65 C ATOM 535 OD1 ASP A 36 1.497 10.003 -2.484 1.00 2.49 O ATOM 536 OD2 ASP A 36 -0.482 9.956 -3.513 1.00 2.93 O ATOM 0 H ASP A 36 2.636 6.894 -6.037 1.00 0.20 H new ATOM 0 HA ASP A 36 3.078 8.474 -3.639 1.00 0.23 H new ATOM 0 HB2 ASP A 36 2.084 10.113 -5.161 1.00 0.39 H new ATOM 0 HB3 ASP A 36 0.737 9.039 -5.483 1.00 0.39 H new ATOM 541 N ALA A 37 1.308 7.257 -2.330 1.00 0.30 N ATOM 542 CA ALA A 37 0.521 6.416 -1.442 1.00 0.36 C ATOM 543 C ALA A 37 -0.520 7.303 -0.750 1.00 0.47 C ATOM 544 O ALA A 37 -0.146 8.304 -0.142 1.00 0.80 O ATOM 545 CB ALA A 37 1.457 5.778 -0.415 1.00 0.52 C ATOM 0 H ALA A 37 1.674 8.081 -1.852 1.00 0.30 H new ATOM 0 HA ALA A 37 0.013 5.623 -1.991 1.00 0.36 H new ATOM 0 HB1 ALA A 37 0.880 5.144 0.258 1.00 0.52 H new ATOM 0 HB2 ALA A 37 2.205 5.175 -0.930 1.00 0.52 H new ATOM 0 HB3 ALA A 37 1.954 6.560 0.159 1.00 0.52 H new ATOM 551 N ASN A 38 -1.806 6.945 -0.845 1.00 0.27 N ATOM 552 CA ASN A 38 -2.937 7.776 -0.453 1.00 0.31 C ATOM 553 C ASN A 38 -3.965 6.902 0.277 1.00 0.25 C ATOM 554 O ASN A 38 -4.587 6.027 -0.326 1.00 0.26 O ATOM 555 CB ASN A 38 -3.533 8.445 -1.707 1.00 0.48 C ATOM 556 CG ASN A 38 -3.604 9.961 -1.550 1.00 0.66 C ATOM 557 OD1 ASN A 38 -4.510 10.471 -0.898 1.00 1.42 O ATOM 558 ND2 ASN A 38 -2.663 10.699 -2.129 1.00 0.91 N ATOM 0 H ASN A 38 -2.091 6.036 -1.210 1.00 0.27 H new ATOM 0 HA ASN A 38 -2.622 8.567 0.227 1.00 0.31 H new ATOM 0 HB2 ASN A 38 -2.926 8.196 -2.577 1.00 0.48 H new ATOM 0 HB3 ASN A 38 -4.532 8.050 -1.892 1.00 0.48 H new ATOM 0 HD21 ASN A 38 -2.683 11.715 -2.037 1.00 0.91 H new ATOM 0 HD22 ASN A 38 -1.921 10.250 -2.666 1.00 0.91 H new ATOM 565 N VAL A 39 -4.103 7.094 1.591 1.00 0.28 N ATOM 566 CA VAL A 39 -4.924 6.250 2.457 1.00 0.30 C ATOM 567 C VAL A 39 -6.398 6.686 2.472 1.00 0.33 C ATOM 568 O VAL A 39 -6.690 7.877 2.399 1.00 0.48 O ATOM 569 CB VAL A 39 -4.271 6.196 3.849 1.00 0.45 C ATOM 570 CG1 VAL A 39 -4.375 7.524 4.612 1.00 0.61 C ATOM 571 CG2 VAL A 39 -4.850 5.053 4.684 1.00 0.55 C ATOM 0 H VAL A 39 -3.639 7.853 2.090 1.00 0.28 H new ATOM 0 HA VAL A 39 -4.958 5.235 2.061 1.00 0.30 H new ATOM 0 HB VAL A 39 -3.210 6.010 3.681 1.00 0.45 H new ATOM 0 HG11 VAL A 39 -3.896 7.422 5.586 1.00 0.61 H new ATOM 0 HG12 VAL A 39 -3.878 8.310 4.044 1.00 0.61 H new ATOM 0 HG13 VAL A 39 -5.425 7.784 4.749 1.00 0.61 H new ATOM 0 HG21 VAL A 39 -4.370 5.038 5.663 1.00 0.55 H new ATOM 0 HG22 VAL A 39 -5.923 5.200 4.808 1.00 0.55 H new ATOM 0 HG23 VAL A 39 -4.670 4.105 4.177 1.00 0.55 H new ATOM 581 N ASN A 40 -7.323 5.719 2.578 1.00 0.26 N ATOM 582 CA ASN A 40 -8.768 5.914 2.643 1.00 0.30 C ATOM 583 C ASN A 40 -9.406 5.043 3.726 1.00 0.29 C ATOM 584 O ASN A 40 -10.183 4.124 3.451 1.00 0.27 O ATOM 585 CB ASN A 40 -9.418 5.638 1.280 1.00 0.33 C ATOM 586 CG ASN A 40 -10.844 6.187 1.246 1.00 0.84 C ATOM 587 OD1 ASN A 40 -11.206 7.051 2.036 1.00 0.96 O ATOM 588 ND2 ASN A 40 -11.685 5.656 0.365 1.00 1.32 N ATOM 0 H ASN A 40 -7.064 4.734 2.622 1.00 0.26 H new ATOM 0 HA ASN A 40 -8.944 6.957 2.908 1.00 0.30 H new ATOM 0 HB2 ASN A 40 -8.826 6.098 0.488 1.00 0.33 H new ATOM 0 HB3 ASN A 40 -9.430 4.565 1.087 1.00 0.33 H new ATOM 0 HD21 ASN A 40 -12.656 5.966 0.336 1.00 1.32 H new ATOM 0 HD22 ASN A 40 -11.359 4.938 -0.282 1.00 1.32 H new ATOM 595 N LEU A 41 -9.104 5.349 4.989 1.00 0.34 N ATOM 596 CA LEU A 41 -9.664 4.606 6.110 1.00 0.37 C ATOM 597 C LEU A 41 -11.164 4.815 6.278 1.00 0.40 C ATOM 598 O LEU A 41 -11.815 3.994 6.911 1.00 0.40 O ATOM 599 CB LEU A 41 -8.924 4.920 7.406 1.00 0.48 C ATOM 600 CG LEU A 41 -7.435 4.564 7.317 1.00 0.53 C ATOM 601 CD1 LEU A 41 -6.838 4.620 8.716 1.00 0.65 C ATOM 602 CD2 LEU A 41 -7.190 3.158 6.761 1.00 0.53 C ATOM 0 H LEU A 41 -8.475 6.106 5.257 1.00 0.34 H new ATOM 0 HA LEU A 41 -9.522 3.551 5.874 1.00 0.37 H new ATOM 0 HB2 LEU A 41 -9.030 5.980 7.637 1.00 0.48 H new ATOM 0 HB3 LEU A 41 -9.381 4.368 8.227 1.00 0.48 H new ATOM 0 HG LEU A 41 -6.972 5.281 6.639 1.00 0.53 H new ATOM 0 HD11 LEU A 41 -5.778 4.369 8.670 1.00 0.65 H new ATOM 0 HD12 LEU A 41 -6.956 5.625 9.122 1.00 0.65 H new ATOM 0 HD13 LEU A 41 -7.352 3.906 9.360 1.00 0.65 H new ATOM 0 HD21 LEU A 41 -6.118 2.964 6.722 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -7.669 2.423 7.408 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -7.609 3.086 5.757 1.00 0.53 H new ATOM 614 N ALA A 42 -11.730 5.833 5.624 1.00 0.44 N ATOM 615 CA ALA A 42 -13.175 5.973 5.477 1.00 0.50 C ATOM 616 C ALA A 42 -13.789 4.742 4.803 1.00 0.48 C ATOM 617 O ALA A 42 -15.009 4.594 4.769 1.00 0.61 O ATOM 618 CB ALA A 42 -13.492 7.223 4.653 1.00 0.56 C ATOM 0 H ALA A 42 -11.196 6.582 5.183 1.00 0.44 H new ATOM 0 HA ALA A 42 -13.609 6.067 6.473 1.00 0.50 H new ATOM 0 HB1 ALA A 42 -14.572 7.324 4.546 1.00 0.56 H new ATOM 0 HB2 ALA A 42 -13.094 8.103 5.159 1.00 0.56 H new ATOM 0 HB3 ALA A 42 -13.036 7.134 3.667 1.00 0.56 H new ATOM 624 N THR A 43 -12.955 3.892 4.201 1.00 0.41 N ATOM 625 CA THR A 43 -13.362 2.656 3.565 1.00 0.42 C ATOM 626 C THR A 43 -12.367 1.542 3.929 1.00 0.36 C ATOM 627 O THR A 43 -12.268 0.553 3.207 1.00 0.38 O ATOM 628 CB THR A 43 -13.432 2.971 2.059 1.00 0.47 C ATOM 629 OG1 THR A 43 -14.159 4.173 1.867 1.00 0.55 O ATOM 630 CG2 THR A 43 -14.107 1.892 1.220 1.00 0.53 C ATOM 0 H THR A 43 -11.950 4.058 4.146 1.00 0.41 H new ATOM 0 HA THR A 43 -14.333 2.289 3.897 1.00 0.42 H new ATOM 0 HB THR A 43 -12.396 3.044 1.727 1.00 0.47 H new ATOM 0 HG1 THR A 43 -14.205 4.378 0.910 1.00 0.55 H new ATOM 0 HG21 THR A 43 -14.113 2.196 0.173 1.00 0.53 H new ATOM 0 HG22 THR A 43 -13.559 0.955 1.323 1.00 0.53 H new ATOM 0 HG23 THR A 43 -15.132 1.753 1.563 1.00 0.53 H new ATOM 638 N GLU A 44 -11.582 1.714 5.008 1.00 0.32 N ATOM 639 CA GLU A 44 -10.558 0.764 5.441 1.00 0.32 C ATOM 640 C GLU A 44 -9.676 0.320 4.262 1.00 0.31 C ATOM 641 O GLU A 44 -9.266 -0.838 4.169 1.00 0.41 O ATOM 642 CB GLU A 44 -11.205 -0.429 6.166 1.00 0.42 C ATOM 643 CG GLU A 44 -11.927 -0.036 7.469 1.00 0.45 C ATOM 644 CD GLU A 44 -13.285 0.640 7.283 1.00 1.68 C ATOM 645 OE1 GLU A 44 -13.911 0.424 6.223 1.00 2.71 O ATOM 646 OE2 GLU A 44 -13.685 1.345 8.233 1.00 2.64 O ATOM 0 H GLU A 44 -11.648 2.535 5.610 1.00 0.32 H new ATOM 0 HA GLU A 44 -9.900 1.263 6.153 1.00 0.32 H new ATOM 0 HB2 GLU A 44 -11.918 -0.909 5.495 1.00 0.42 H new ATOM 0 HB3 GLU A 44 -10.436 -1.167 6.394 1.00 0.42 H new ATOM 0 HG2 GLU A 44 -12.065 -0.933 8.073 1.00 0.45 H new ATOM 0 HG3 GLU A 44 -11.280 0.634 8.036 1.00 0.45 H new ATOM 653 N THR A 45 -9.390 1.253 3.350 1.00 0.25 N ATOM 654 CA THR A 45 -8.791 0.976 2.058 1.00 0.24 C ATOM 655 C THR A 45 -7.649 1.951 1.859 1.00 0.21 C ATOM 656 O THR A 45 -7.613 3.013 2.477 1.00 0.22 O ATOM 657 CB THR A 45 -9.883 1.077 0.972 1.00 0.28 C ATOM 658 OG1 THR A 45 -10.725 -0.052 1.065 1.00 0.46 O ATOM 659 CG2 THR A 45 -9.398 1.140 -0.481 1.00 0.27 C ATOM 0 H THR A 45 -9.576 2.244 3.501 1.00 0.25 H new ATOM 0 HA THR A 45 -8.381 -0.032 1.996 1.00 0.24 H new ATOM 0 HB THR A 45 -10.376 2.027 1.177 1.00 0.28 H new ATOM 0 HG1 THR A 45 -11.260 0.005 1.884 1.00 0.46 H new ATOM 0 HG21 THR A 45 -10.257 1.209 -1.149 1.00 0.27 H new ATOM 0 HG22 THR A 45 -8.763 2.016 -0.615 1.00 0.27 H new ATOM 0 HG23 THR A 45 -8.829 0.240 -0.714 1.00 0.27 H new ATOM 667 N VAL A 46 -6.694 1.578 1.015 1.00 0.22 N ATOM 668 CA VAL A 46 -5.600 2.448 0.643 1.00 0.20 C ATOM 669 C VAL A 46 -5.372 2.336 -0.855 1.00 0.19 C ATOM 670 O VAL A 46 -5.640 1.287 -1.447 1.00 0.23 O ATOM 671 CB VAL A 46 -4.381 2.091 1.494 1.00 0.29 C ATOM 672 CG1 VAL A 46 -3.953 0.628 1.314 1.00 0.42 C ATOM 673 CG2 VAL A 46 -3.186 2.988 1.176 1.00 0.26 C ATOM 0 H VAL A 46 -6.662 0.660 0.572 1.00 0.22 H new ATOM 0 HA VAL A 46 -5.820 3.497 0.842 1.00 0.20 H new ATOM 0 HB VAL A 46 -4.690 2.246 2.528 1.00 0.29 H new ATOM 0 HG11 VAL A 46 -3.084 0.424 1.939 1.00 0.42 H new ATOM 0 HG12 VAL A 46 -4.772 -0.029 1.606 1.00 0.42 H new ATOM 0 HG13 VAL A 46 -3.699 0.449 0.269 1.00 0.42 H new ATOM 0 HG21 VAL A 46 -2.340 2.703 1.801 1.00 0.26 H new ATOM 0 HG22 VAL A 46 -2.915 2.875 0.126 1.00 0.26 H new ATOM 0 HG23 VAL A 46 -3.449 4.027 1.373 1.00 0.26 H new ATOM 683 N ASN A 47 -4.930 3.444 -1.456 1.00 0.18 N ATOM 684 CA ASN A 47 -4.602 3.538 -2.862 1.00 0.21 C ATOM 685 C ASN A 47 -3.120 3.845 -2.973 1.00 0.18 C ATOM 686 O ASN A 47 -2.620 4.674 -2.218 1.00 0.23 O ATOM 687 CB ASN A 47 -5.454 4.628 -3.520 1.00 0.35 C ATOM 688 CG ASN A 47 -5.105 4.816 -4.994 1.00 1.05 C ATOM 689 OD1 ASN A 47 -5.767 4.272 -5.871 1.00 2.48 O ATOM 690 ND2 ASN A 47 -4.081 5.612 -5.290 1.00 0.70 N ATOM 0 H ASN A 47 -4.790 4.321 -0.954 1.00 0.18 H new ATOM 0 HA ASN A 47 -4.816 2.602 -3.379 1.00 0.21 H new ATOM 0 HB2 ASN A 47 -6.509 4.369 -3.428 1.00 0.35 H new ATOM 0 HB3 ASN A 47 -5.310 5.570 -2.990 1.00 0.35 H new ATOM 0 HD21 ASN A 47 -3.832 5.781 -6.264 1.00 0.70 H new ATOM 0 HD22 ASN A 47 -3.545 6.053 -4.542 1.00 0.70 H new ATOM 697 N VAL A 48 -2.417 3.208 -3.906 1.00 0.19 N ATOM 698 CA VAL A 48 -1.016 3.500 -4.155 1.00 0.20 C ATOM 699 C VAL A 48 -0.788 3.500 -5.664 1.00 0.18 C ATOM 700 O VAL A 48 -1.253 2.606 -6.375 1.00 0.21 O ATOM 701 CB VAL A 48 -0.103 2.571 -3.327 1.00 0.24 C ATOM 702 CG1 VAL A 48 -0.329 1.093 -3.634 1.00 0.25 C ATOM 703 CG2 VAL A 48 1.385 2.894 -3.510 1.00 0.28 C ATOM 0 H VAL A 48 -2.804 2.479 -4.506 1.00 0.19 H new ATOM 0 HA VAL A 48 -0.739 4.495 -3.807 1.00 0.20 H new ATOM 0 HB VAL A 48 -0.382 2.759 -2.290 1.00 0.24 H new ATOM 0 HG11 VAL A 48 0.340 0.488 -3.022 1.00 0.25 H new ATOM 0 HG12 VAL A 48 -1.363 0.829 -3.411 1.00 0.25 H new ATOM 0 HG13 VAL A 48 -0.126 0.905 -4.688 1.00 0.25 H new ATOM 0 HG21 VAL A 48 1.982 2.211 -2.906 1.00 0.28 H new ATOM 0 HG22 VAL A 48 1.655 2.781 -4.560 1.00 0.28 H new ATOM 0 HG23 VAL A 48 1.576 3.920 -3.195 1.00 0.28 H new ATOM 713 N ILE A 49 -0.127 4.555 -6.146 1.00 0.22 N ATOM 714 CA ILE A 49 0.232 4.760 -7.532 1.00 0.23 C ATOM 715 C ILE A 49 1.691 4.337 -7.677 1.00 0.26 C ATOM 716 O ILE A 49 2.576 4.938 -7.056 1.00 0.38 O ATOM 717 CB ILE A 49 -0.018 6.220 -7.959 1.00 0.29 C ATOM 718 CG1 ILE A 49 -1.453 6.674 -7.631 1.00 0.33 C ATOM 719 CG2 ILE A 49 0.189 6.342 -9.474 1.00 0.38 C ATOM 720 CD1 ILE A 49 -1.506 7.609 -6.423 1.00 1.28 C ATOM 0 H ILE A 49 0.182 5.319 -5.545 1.00 0.22 H new ATOM 0 HA ILE A 49 -0.388 4.160 -8.198 1.00 0.23 H new ATOM 0 HB ILE A 49 0.681 6.851 -7.411 1.00 0.29 H new ATOM 0 HG12 ILE A 49 -1.878 7.180 -8.498 1.00 0.33 H new ATOM 0 HG13 ILE A 49 -2.073 5.799 -7.437 1.00 0.33 H new ATOM 0 HG21 ILE A 49 0.014 7.372 -9.783 1.00 0.38 H new ATOM 0 HG22 ILE A 49 1.210 6.056 -9.726 1.00 0.38 H new ATOM 0 HG23 ILE A 49 -0.510 5.684 -9.991 1.00 0.38 H new ATOM 0 HD11 ILE A 49 -2.539 7.900 -6.233 1.00 1.28 H new ATOM 0 HD12 ILE A 49 -1.107 7.096 -5.548 1.00 1.28 H new ATOM 0 HD13 ILE A 49 -0.910 8.499 -6.625 1.00 1.28 H new ATOM 732 N TYR A 50 1.922 3.288 -8.470 1.00 0.24 N ATOM 733 CA TYR A 50 3.243 2.745 -8.742 1.00 0.23 C ATOM 734 C TYR A 50 3.348 2.316 -10.195 1.00 0.23 C ATOM 735 O TYR A 50 2.350 2.267 -10.919 1.00 0.25 O ATOM 736 CB TYR A 50 3.571 1.565 -7.809 1.00 0.26 C ATOM 737 CG TYR A 50 2.485 0.508 -7.656 1.00 0.35 C ATOM 738 CD1 TYR A 50 2.052 -0.248 -8.765 1.00 1.59 C ATOM 739 CD2 TYR A 50 2.013 0.175 -6.373 1.00 2.07 C ATOM 740 CE1 TYR A 50 1.170 -1.327 -8.590 1.00 1.55 C ATOM 741 CE2 TYR A 50 1.155 -0.926 -6.196 1.00 2.15 C ATOM 742 CZ TYR A 50 0.748 -1.687 -7.302 1.00 0.57 C ATOM 743 OH TYR A 50 0.135 -2.892 -7.107 1.00 0.69 O ATOM 0 H TYR A 50 1.175 2.785 -8.949 1.00 0.24 H new ATOM 0 HA TYR A 50 3.973 3.532 -8.551 1.00 0.23 H new ATOM 0 HB2 TYR A 50 4.474 1.078 -8.177 1.00 0.26 H new ATOM 0 HB3 TYR A 50 3.803 1.963 -6.821 1.00 0.26 H new ATOM 0 HD1 TYR A 50 2.401 0.004 -9.755 1.00 1.59 H new ATOM 0 HD2 TYR A 50 2.311 0.767 -5.520 1.00 2.07 H new ATOM 0 HE1 TYR A 50 0.817 -1.880 -9.448 1.00 1.55 H new ATOM 0 HE2 TYR A 50 0.809 -1.186 -5.206 1.00 2.15 H new ATOM 0 HH TYR A 50 -0.096 -2.992 -6.160 1.00 0.69 H new ATOM 753 N ASP A 51 4.576 1.988 -10.595 1.00 0.23 N ATOM 754 CA ASP A 51 4.910 1.561 -11.932 1.00 0.25 C ATOM 755 C ASP A 51 5.143 0.047 -11.956 1.00 0.26 C ATOM 756 O ASP A 51 6.160 -0.391 -11.417 1.00 0.23 O ATOM 757 CB ASP A 51 6.175 2.312 -12.334 1.00 0.28 C ATOM 758 CG ASP A 51 6.447 2.087 -13.813 1.00 0.34 C ATOM 759 OD1 ASP A 51 6.480 0.895 -14.188 1.00 1.22 O ATOM 760 OD2 ASP A 51 6.571 3.093 -14.540 1.00 1.37 O ATOM 0 H ASP A 51 5.382 2.017 -9.971 1.00 0.23 H new ATOM 0 HA ASP A 51 4.101 1.776 -12.630 1.00 0.25 H new ATOM 0 HB2 ASP A 51 6.059 3.377 -12.132 1.00 0.28 H new ATOM 0 HB3 ASP A 51 7.021 1.966 -11.740 1.00 0.28 H new ATOM 765 N PRO A 52 4.279 -0.762 -12.595 1.00 0.38 N ATOM 766 CA PRO A 52 4.412 -2.215 -12.642 1.00 0.42 C ATOM 767 C PRO A 52 5.570 -2.703 -13.518 1.00 0.41 C ATOM 768 O PRO A 52 5.655 -3.902 -13.777 1.00 0.52 O ATOM 769 CB PRO A 52 3.056 -2.722 -13.139 1.00 0.61 C ATOM 770 CG PRO A 52 2.594 -1.596 -14.060 1.00 0.68 C ATOM 771 CD PRO A 52 3.114 -0.342 -13.356 1.00 0.54 C ATOM 0 HA PRO A 52 4.664 -2.609 -11.657 1.00 0.42 H new ATOM 0 HB2 PRO A 52 3.148 -3.669 -13.671 1.00 0.61 H new ATOM 0 HB3 PRO A 52 2.359 -2.885 -12.317 1.00 0.61 H new ATOM 0 HG2 PRO A 52 3.010 -1.698 -15.062 1.00 0.68 H new ATOM 0 HG3 PRO A 52 1.509 -1.580 -14.165 1.00 0.68 H new ATOM 0 HD2 PRO A 52 3.378 0.430 -14.079 1.00 0.54 H new ATOM 0 HD3 PRO A 52 2.353 0.082 -12.701 1.00 0.54 H new ATOM 779 N ALA A 53 6.477 -1.823 -13.955 1.00 0.38 N ATOM 780 CA ALA A 53 7.673 -2.245 -14.676 1.00 0.48 C ATOM 781 C ALA A 53 8.696 -2.695 -13.639 1.00 0.42 C ATOM 782 O ALA A 53 9.277 -3.773 -13.742 1.00 0.51 O ATOM 783 CB ALA A 53 8.214 -1.103 -15.542 1.00 0.61 C ATOM 0 H ALA A 53 6.402 -0.815 -13.820 1.00 0.38 H new ATOM 0 HA ALA A 53 7.446 -3.068 -15.354 1.00 0.48 H new ATOM 0 HB1 ALA A 53 9.106 -1.439 -16.071 1.00 0.61 H new ATOM 0 HB2 ALA A 53 7.455 -0.803 -16.264 1.00 0.61 H new ATOM 0 HB3 ALA A 53 8.467 -0.254 -14.908 1.00 0.61 H new ATOM 789 N GLU A 54 8.870 -1.854 -12.622 1.00 0.36 N ATOM 790 CA GLU A 54 9.649 -2.138 -11.431 1.00 0.36 C ATOM 791 C GLU A 54 8.780 -2.902 -10.421 1.00 0.37 C ATOM 792 O GLU A 54 9.203 -3.894 -9.829 1.00 0.58 O ATOM 793 CB GLU A 54 10.107 -0.788 -10.854 1.00 0.38 C ATOM 794 CG GLU A 54 11.063 -0.043 -11.805 1.00 0.59 C ATOM 795 CD GLU A 54 12.436 0.173 -11.182 1.00 1.31 C ATOM 796 OE1 GLU A 54 13.142 -0.843 -10.998 1.00 2.48 O ATOM 797 OE2 GLU A 54 12.760 1.349 -10.904 1.00 2.41 O ATOM 0 H GLU A 54 8.454 -0.923 -12.610 1.00 0.36 H new ATOM 0 HA GLU A 54 10.516 -2.758 -11.659 1.00 0.36 H new ATOM 0 HB2 GLU A 54 9.235 -0.165 -10.656 1.00 0.38 H new ATOM 0 HB3 GLU A 54 10.604 -0.953 -9.898 1.00 0.38 H new ATOM 0 HG2 GLU A 54 11.170 -0.611 -12.729 1.00 0.59 H new ATOM 0 HG3 GLU A 54 10.630 0.921 -12.071 1.00 0.59 H new ATOM 804 N THR A 55 7.564 -2.391 -10.211 1.00 0.30 N ATOM 805 CA THR A 55 6.852 -2.428 -8.944 1.00 0.22 C ATOM 806 C THR A 55 5.343 -2.604 -8.965 1.00 0.31 C ATOM 807 O THR A 55 4.602 -1.770 -9.481 1.00 0.62 O ATOM 808 CB THR A 55 7.199 -1.161 -8.198 1.00 0.41 C ATOM 809 OG1 THR A 55 8.591 -1.211 -8.065 1.00 0.70 O ATOM 810 CG2 THR A 55 6.671 -1.128 -6.786 1.00 0.61 C ATOM 0 H THR A 55 7.035 -1.925 -10.948 1.00 0.30 H new ATOM 0 HA THR A 55 7.188 -3.347 -8.463 1.00 0.22 H new ATOM 0 HB THR A 55 6.784 -0.308 -8.736 1.00 0.41 H new ATOM 0 HG1 THR A 55 8.893 -0.467 -7.503 1.00 0.70 H new ATOM 0 HG21 THR A 55 6.958 -0.189 -6.312 1.00 0.61 H new ATOM 0 HG22 THR A 55 5.584 -1.209 -6.802 1.00 0.61 H new ATOM 0 HG23 THR A 55 7.088 -1.962 -6.222 1.00 0.61 H new ATOM 818 N GLY A 56 4.876 -3.598 -8.210 1.00 0.26 N ATOM 819 CA GLY A 56 3.503 -3.622 -7.768 1.00 0.53 C ATOM 820 C GLY A 56 3.305 -4.673 -6.686 1.00 0.29 C ATOM 821 O GLY A 56 4.241 -5.033 -5.969 1.00 0.23 O ATOM 0 H GLY A 56 5.436 -4.391 -7.898 1.00 0.26 H new ATOM 0 HA2 GLY A 56 3.222 -2.641 -7.385 1.00 0.53 H new ATOM 0 HA3 GLY A 56 2.847 -3.834 -8.613 1.00 0.53 H new ATOM 825 N THR A 57 2.072 -5.168 -6.620 1.00 0.30 N ATOM 826 CA THR A 57 1.544 -6.203 -5.742 1.00 0.38 C ATOM 827 C THR A 57 2.590 -7.233 -5.301 1.00 0.37 C ATOM 828 O THR A 57 2.726 -7.470 -4.102 1.00 0.38 O ATOM 829 CB THR A 57 0.247 -6.793 -6.353 1.00 0.59 C ATOM 830 OG1 THR A 57 0.017 -8.110 -5.901 1.00 1.12 O ATOM 831 CG2 THR A 57 0.255 -6.906 -7.883 1.00 0.62 C ATOM 0 H THR A 57 1.346 -4.817 -7.245 1.00 0.30 H new ATOM 0 HA THR A 57 1.265 -5.746 -4.793 1.00 0.38 H new ATOM 0 HB THR A 57 -0.519 -6.086 -6.034 1.00 0.59 H new ATOM 0 HG1 THR A 57 -0.265 -8.089 -4.963 1.00 1.12 H new ATOM 0 HG21 THR A 57 -0.691 -7.328 -8.222 1.00 0.62 H new ATOM 0 HG22 THR A 57 0.388 -5.916 -8.320 1.00 0.62 H new ATOM 0 HG23 THR A 57 1.074 -7.554 -8.196 1.00 0.62 H new ATOM 839 N ALA A 58 3.373 -7.790 -6.229 1.00 0.40 N ATOM 840 CA ALA A 58 4.430 -8.736 -5.896 1.00 0.41 C ATOM 841 C ALA A 58 5.364 -8.211 -4.801 1.00 0.34 C ATOM 842 O ALA A 58 5.592 -8.877 -3.794 1.00 0.38 O ATOM 843 CB ALA A 58 5.242 -9.060 -7.155 1.00 0.46 C ATOM 0 H ALA A 58 3.289 -7.596 -7.227 1.00 0.40 H new ATOM 0 HA ALA A 58 3.952 -9.636 -5.509 1.00 0.41 H new ATOM 0 HB1 ALA A 58 6.033 -9.768 -6.906 1.00 0.46 H new ATOM 0 HB2 ALA A 58 4.587 -9.498 -7.908 1.00 0.46 H new ATOM 0 HB3 ALA A 58 5.685 -8.145 -7.548 1.00 0.46 H new ATOM 849 N ALA A 59 5.946 -7.030 -5.022 1.00 0.28 N ATOM 850 CA ALA A 59 6.914 -6.458 -4.098 1.00 0.24 C ATOM 851 C ALA A 59 6.170 -5.960 -2.871 1.00 0.22 C ATOM 852 O ALA A 59 6.630 -6.064 -1.731 1.00 0.23 O ATOM 853 CB ALA A 59 7.685 -5.328 -4.789 1.00 0.23 C ATOM 0 H ALA A 59 5.758 -6.451 -5.841 1.00 0.28 H new ATOM 0 HA ALA A 59 7.641 -7.208 -3.788 1.00 0.24 H new ATOM 0 HB1 ALA A 59 8.408 -4.903 -4.093 1.00 0.23 H new ATOM 0 HB2 ALA A 59 8.208 -5.724 -5.660 1.00 0.23 H new ATOM 0 HB3 ALA A 59 6.988 -4.553 -5.106 1.00 0.23 H new ATOM 859 N ILE A 60 5.012 -5.363 -3.142 1.00 0.22 N ATOM 860 CA ILE A 60 4.270 -4.640 -2.150 1.00 0.23 C ATOM 861 C ILE A 60 3.722 -5.575 -1.077 1.00 0.19 C ATOM 862 O ILE A 60 3.969 -5.309 0.091 1.00 0.21 O ATOM 863 CB ILE A 60 3.274 -3.697 -2.853 1.00 0.31 C ATOM 864 CG1 ILE A 60 3.942 -2.323 -3.083 1.00 0.44 C ATOM 865 CG2 ILE A 60 1.925 -3.561 -2.141 1.00 0.33 C ATOM 866 CD1 ILE A 60 4.225 -2.067 -4.559 1.00 1.20 C ATOM 0 H ILE A 60 4.573 -5.375 -4.063 1.00 0.22 H new ATOM 0 HA ILE A 60 4.910 -3.977 -1.568 1.00 0.23 H new ATOM 0 HB ILE A 60 3.028 -4.152 -3.812 1.00 0.31 H new ATOM 0 HG12 ILE A 60 3.295 -1.536 -2.696 1.00 0.44 H new ATOM 0 HG13 ILE A 60 4.875 -2.274 -2.521 1.00 0.44 H new ATOM 0 HG21 ILE A 60 1.285 -2.880 -2.702 1.00 0.33 H new ATOM 0 HG22 ILE A 60 1.447 -4.539 -2.077 1.00 0.33 H new ATOM 0 HG23 ILE A 60 2.082 -3.167 -1.137 1.00 0.33 H new ATOM 0 HD11 ILE A 60 4.695 -1.090 -4.675 1.00 1.20 H new ATOM 0 HD12 ILE A 60 4.893 -2.839 -4.941 1.00 1.20 H new ATOM 0 HD13 ILE A 60 3.289 -2.089 -5.118 1.00 1.20 H new ATOM 878 N GLN A 61 3.048 -6.679 -1.416 1.00 0.24 N ATOM 879 CA GLN A 61 2.600 -7.642 -0.406 1.00 0.25 C ATOM 880 C GLN A 61 3.767 -8.037 0.506 1.00 0.23 C ATOM 881 O GLN A 61 3.661 -7.961 1.729 1.00 0.23 O ATOM 882 CB GLN A 61 2.018 -8.902 -1.062 1.00 0.31 C ATOM 883 CG GLN A 61 0.496 -8.918 -1.243 1.00 0.43 C ATOM 884 CD GLN A 61 -0.029 -8.045 -2.375 1.00 0.47 C ATOM 885 OE1 GLN A 61 -0.676 -8.533 -3.293 1.00 0.86 O ATOM 886 NE2 GLN A 61 0.202 -6.742 -2.322 1.00 0.39 N ATOM 0 H GLN A 61 2.802 -6.926 -2.375 1.00 0.24 H new ATOM 0 HA GLN A 61 1.819 -7.164 0.186 1.00 0.25 H new ATOM 0 HB2 GLN A 61 2.483 -9.027 -2.040 1.00 0.31 H new ATOM 0 HB3 GLN A 61 2.303 -9.766 -0.461 1.00 0.31 H new ATOM 0 HG2 GLN A 61 0.177 -9.945 -1.420 1.00 0.43 H new ATOM 0 HG3 GLN A 61 0.031 -8.596 -0.311 1.00 0.43 H new ATOM 0 HE21 GLN A 61 0.743 -6.351 -1.551 1.00 0.39 H new ATOM 0 HE22 GLN A 61 -0.161 -6.130 -3.053 1.00 0.39 H new ATOM 895 N GLU A 62 4.882 -8.435 -0.110 1.00 0.21 N ATOM 896 CA GLU A 62 6.121 -8.767 0.580 1.00 0.22 C ATOM 897 C GLU A 62 6.475 -7.733 1.646 1.00 0.22 C ATOM 898 O GLU A 62 6.692 -8.065 2.811 1.00 0.26 O ATOM 899 CB GLU A 62 7.248 -8.918 -0.461 1.00 0.26 C ATOM 900 CG GLU A 62 8.113 -10.164 -0.256 1.00 0.36 C ATOM 901 CD GLU A 62 9.059 -10.015 0.933 1.00 1.13 C ATOM 902 OE1 GLU A 62 9.704 -8.944 1.005 1.00 2.11 O ATOM 903 OE2 GLU A 62 9.148 -10.954 1.751 1.00 2.38 O ATOM 0 H GLU A 62 4.946 -8.536 -1.123 1.00 0.21 H new ATOM 0 HA GLU A 62 5.990 -9.712 1.108 1.00 0.22 H new ATOM 0 HB2 GLU A 62 6.808 -8.952 -1.458 1.00 0.26 H new ATOM 0 HB3 GLU A 62 7.885 -8.034 -0.424 1.00 0.26 H new ATOM 0 HG2 GLU A 62 7.470 -11.030 -0.101 1.00 0.36 H new ATOM 0 HG3 GLU A 62 8.693 -10.355 -1.159 1.00 0.36 H new ATOM 910 N LYS A 63 6.528 -6.459 1.257 1.00 0.21 N ATOM 911 CA LYS A 63 6.865 -5.433 2.212 1.00 0.21 C ATOM 912 C LYS A 63 5.742 -5.231 3.225 1.00 0.21 C ATOM 913 O LYS A 63 6.042 -5.129 4.411 1.00 0.23 O ATOM 914 CB LYS A 63 7.298 -4.155 1.491 1.00 0.21 C ATOM 915 CG LYS A 63 8.795 -3.899 1.718 1.00 0.27 C ATOM 916 CD LYS A 63 9.655 -4.985 1.043 1.00 0.36 C ATOM 917 CE LYS A 63 10.556 -5.728 2.041 1.00 0.84 C ATOM 918 NZ LYS A 63 11.216 -6.887 1.409 1.00 1.97 N ATOM 0 H LYS A 63 6.345 -6.130 0.309 1.00 0.21 H new ATOM 0 HA LYS A 63 7.725 -5.754 2.800 1.00 0.21 H new ATOM 0 HB2 LYS A 63 7.095 -4.244 0.424 1.00 0.21 H new ATOM 0 HB3 LYS A 63 6.717 -3.308 1.856 1.00 0.21 H new ATOM 0 HG2 LYS A 63 9.063 -2.920 1.321 1.00 0.27 H new ATOM 0 HG3 LYS A 63 9.005 -3.878 2.787 1.00 0.27 H new ATOM 0 HD2 LYS A 63 9.003 -5.702 0.544 1.00 0.36 H new ATOM 0 HD3 LYS A 63 10.274 -4.526 0.272 1.00 0.36 H new ATOM 0 HE2 LYS A 63 11.311 -5.045 2.431 1.00 0.84 H new ATOM 0 HE3 LYS A 63 9.961 -6.064 2.890 1.00 0.84 H new ATOM 0 HZ1 LYS A 63 12.176 -6.993 1.795 1.00 1.97 H new ATOM 0 HZ2 LYS A 63 10.667 -7.748 1.605 1.00 1.97 H new ATOM 0 HZ3 LYS A 63 11.271 -6.737 0.381 1.00 1.97 H new ATOM 932 N ILE A 64 4.474 -5.193 2.804 1.00 0.19 N ATOM 933 CA ILE A 64 3.340 -5.013 3.696 1.00 0.19 C ATOM 934 C ILE A 64 3.441 -6.029 4.856 1.00 0.20 C ATOM 935 O ILE A 64 3.303 -5.667 6.027 1.00 0.23 O ATOM 936 CB ILE A 64 2.011 -5.206 2.942 1.00 0.24 C ATOM 937 CG1 ILE A 64 1.651 -4.136 1.900 1.00 0.34 C ATOM 938 CG2 ILE A 64 0.880 -5.322 3.961 1.00 0.33 C ATOM 939 CD1 ILE A 64 1.106 -2.831 2.470 1.00 0.59 C ATOM 0 H ILE A 64 4.211 -5.288 1.823 1.00 0.19 H new ATOM 0 HA ILE A 64 3.360 -3.997 4.091 1.00 0.19 H new ATOM 0 HB ILE A 64 2.148 -6.116 2.358 1.00 0.24 H new ATOM 0 HG12 ILE A 64 2.540 -3.913 1.310 1.00 0.34 H new ATOM 0 HG13 ILE A 64 0.911 -4.552 1.216 1.00 0.34 H new ATOM 0 HG21 ILE A 64 -0.067 -5.459 3.439 1.00 0.33 H new ATOM 0 HG22 ILE A 64 1.063 -6.177 4.612 1.00 0.33 H new ATOM 0 HG23 ILE A 64 0.836 -4.413 4.560 1.00 0.33 H new ATOM 0 HD11 ILE A 64 0.883 -2.143 1.655 1.00 0.59 H new ATOM 0 HD12 ILE A 64 0.195 -3.033 3.034 1.00 0.59 H new ATOM 0 HD13 ILE A 64 1.850 -2.383 3.129 1.00 0.59 H new ATOM 951 N GLU A 65 3.706 -7.301 4.525 1.00 0.20 N ATOM 952 CA GLU A 65 3.926 -8.344 5.521 1.00 0.23 C ATOM 953 C GLU A 65 4.991 -7.902 6.533 1.00 0.29 C ATOM 954 O GLU A 65 4.784 -7.976 7.742 1.00 0.34 O ATOM 955 CB GLU A 65 4.298 -9.649 4.807 1.00 0.25 C ATOM 956 CG GLU A 65 3.055 -10.415 4.326 1.00 0.23 C ATOM 957 CD GLU A 65 2.466 -11.313 5.411 1.00 0.28 C ATOM 958 OE1 GLU A 65 3.239 -12.147 5.932 1.00 1.42 O ATOM 959 OE2 GLU A 65 1.256 -11.170 5.685 1.00 1.48 O ATOM 0 H GLU A 65 3.772 -7.629 3.561 1.00 0.20 H new ATOM 0 HA GLU A 65 3.013 -8.521 6.089 1.00 0.23 H new ATOM 0 HB2 GLU A 65 4.939 -9.426 3.954 1.00 0.25 H new ATOM 0 HB3 GLU A 65 4.875 -10.281 5.483 1.00 0.25 H new ATOM 0 HG2 GLU A 65 2.298 -9.703 3.998 1.00 0.23 H new ATOM 0 HG3 GLU A 65 3.319 -11.022 3.460 1.00 0.23 H new ATOM 966 N LYS A 66 6.124 -7.387 6.051 1.00 0.31 N ATOM 967 CA LYS A 66 7.223 -6.954 6.901 1.00 0.35 C ATOM 968 C LYS A 66 6.880 -5.705 7.713 1.00 0.35 C ATOM 969 O LYS A 66 7.331 -5.576 8.849 1.00 0.40 O ATOM 970 CB LYS A 66 8.468 -6.719 6.048 1.00 0.38 C ATOM 971 CG LYS A 66 9.767 -6.909 6.851 1.00 0.50 C ATOM 972 CD LYS A 66 10.182 -8.372 7.093 1.00 1.32 C ATOM 973 CE LYS A 66 10.649 -9.059 5.797 1.00 2.01 C ATOM 974 NZ LYS A 66 11.300 -10.361 6.051 1.00 3.32 N ATOM 0 H LYS A 66 6.301 -7.260 5.054 1.00 0.31 H new ATOM 0 HA LYS A 66 7.417 -7.748 7.622 1.00 0.35 H new ATOM 0 HB2 LYS A 66 8.462 -7.406 5.202 1.00 0.38 H new ATOM 0 HB3 LYS A 66 8.440 -5.709 5.638 1.00 0.38 H new ATOM 0 HG2 LYS A 66 10.576 -6.401 6.327 1.00 0.50 H new ATOM 0 HG3 LYS A 66 9.653 -6.416 7.817 1.00 0.50 H new ATOM 0 HD2 LYS A 66 10.984 -8.404 7.830 1.00 1.32 H new ATOM 0 HD3 LYS A 66 9.341 -8.923 7.513 1.00 1.32 H new ATOM 0 HE2 LYS A 66 9.793 -9.207 5.139 1.00 2.01 H new ATOM 0 HE3 LYS A 66 11.345 -8.404 5.273 1.00 2.01 H new ATOM 0 HZ1 LYS A 66 11.596 -10.783 5.148 1.00 3.32 H new ATOM 0 HZ2 LYS A 66 12.133 -10.220 6.657 1.00 3.32 H new ATOM 0 HZ3 LYS A 66 10.629 -10.997 6.527 1.00 3.32 H new ATOM 988 N LEU A 67 6.085 -4.788 7.152 1.00 0.32 N ATOM 989 CA LEU A 67 5.497 -3.691 7.897 1.00 0.34 C ATOM 990 C LEU A 67 4.707 -4.219 9.103 1.00 0.36 C ATOM 991 O LEU A 67 4.504 -3.477 10.061 1.00 0.37 O ATOM 992 CB LEU A 67 4.617 -2.847 6.955 1.00 0.31 C ATOM 993 CG LEU A 67 5.333 -1.729 6.187 1.00 0.34 C ATOM 994 CD1 LEU A 67 5.984 -0.716 7.130 1.00 0.88 C ATOM 995 CD2 LEU A 67 6.341 -2.200 5.137 1.00 0.63 C ATOM 0 H LEU A 67 5.836 -4.794 6.163 1.00 0.32 H new ATOM 0 HA LEU A 67 6.286 -3.050 8.291 1.00 0.34 H new ATOM 0 HB2 LEU A 67 4.149 -3.515 6.232 1.00 0.31 H new ATOM 0 HB3 LEU A 67 3.815 -2.401 7.543 1.00 0.31 H new ATOM 0 HG LEU A 67 4.533 -1.244 5.629 1.00 0.34 H new ATOM 0 HD11 LEU A 67 6.480 0.059 6.545 1.00 0.88 H new ATOM 0 HD12 LEU A 67 5.219 -0.262 7.760 1.00 0.88 H new ATOM 0 HD13 LEU A 67 6.717 -1.222 7.758 1.00 0.88 H new ATOM 0 HD21 LEU A 67 6.792 -1.335 4.651 1.00 0.63 H new ATOM 0 HD22 LEU A 67 7.119 -2.791 5.619 1.00 0.63 H new ATOM 0 HD23 LEU A 67 5.831 -2.810 4.391 1.00 0.63 H new ATOM 1007 N GLY A 68 4.281 -5.487 9.073 1.00 0.36 N ATOM 1008 CA GLY A 68 3.609 -6.150 10.176 1.00 0.35 C ATOM 1009 C GLY A 68 2.101 -6.076 9.992 1.00 0.29 C ATOM 1010 O GLY A 68 1.365 -6.039 10.975 1.00 0.32 O ATOM 0 H GLY A 68 4.401 -6.088 8.257 1.00 0.36 H new ATOM 0 HA2 GLY A 68 3.925 -7.192 10.231 1.00 0.35 H new ATOM 0 HA3 GLY A 68 3.891 -5.681 11.118 1.00 0.35 H new ATOM 1014 N TYR A 69 1.641 -6.038 8.737 1.00 0.26 N ATOM 1015 CA TYR A 69 0.221 -6.011 8.414 1.00 0.27 C ATOM 1016 C TYR A 69 0.004 -6.955 7.244 1.00 0.26 C ATOM 1017 O TYR A 69 0.968 -7.410 6.641 1.00 0.31 O ATOM 1018 CB TYR A 69 -0.210 -4.584 8.051 1.00 0.33 C ATOM 1019 CG TYR A 69 -0.004 -3.578 9.165 1.00 0.33 C ATOM 1020 CD1 TYR A 69 1.283 -3.072 9.409 1.00 2.08 C ATOM 1021 CD2 TYR A 69 -1.086 -3.134 9.946 1.00 1.79 C ATOM 1022 CE1 TYR A 69 1.502 -2.164 10.453 1.00 2.09 C ATOM 1023 CE2 TYR A 69 -0.878 -2.172 10.952 1.00 1.81 C ATOM 1024 CZ TYR A 69 0.418 -1.698 11.214 1.00 0.43 C ATOM 1025 OH TYR A 69 0.620 -0.746 12.169 1.00 0.53 O ATOM 0 H TYR A 69 2.249 -6.025 7.918 1.00 0.26 H new ATOM 0 HA TYR A 69 -0.378 -6.327 9.268 1.00 0.27 H new ATOM 0 HB2 TYR A 69 0.348 -4.259 7.173 1.00 0.33 H new ATOM 0 HB3 TYR A 69 -1.264 -4.593 7.773 1.00 0.33 H new ATOM 0 HD1 TYR A 69 2.109 -3.385 8.788 1.00 2.08 H new ATOM 0 HD2 TYR A 69 -2.076 -3.531 9.774 1.00 1.79 H new ATOM 0 HE1 TYR A 69 2.503 -1.823 10.672 1.00 2.09 H new ATOM 0 HE2 TYR A 69 -1.715 -1.798 11.523 1.00 1.81 H new ATOM 0 HH TYR A 69 -0.232 -0.533 12.604 1.00 0.53 H new ATOM 1035 N HIS A 70 -1.254 -7.223 6.907 1.00 0.29 N ATOM 1036 CA HIS A 70 -1.630 -7.971 5.732 1.00 0.27 C ATOM 1037 C HIS A 70 -2.639 -7.157 4.928 1.00 0.23 C ATOM 1038 O HIS A 70 -3.643 -6.675 5.457 1.00 0.28 O ATOM 1039 CB HIS A 70 -2.118 -9.386 6.065 1.00 0.44 C ATOM 1040 CG HIS A 70 -2.672 -9.690 7.434 1.00 1.63 C ATOM 1041 ND1 HIS A 70 -3.360 -8.846 8.256 1.00 3.18 N flip ATOM 1042 CD2 HIS A 70 -2.639 -10.922 8.048 1.00 2.31 C flip ATOM 1043 CE1 HIS A 70 -3.767 -9.565 9.382 1.00 4.09 C flip ATOM 1044 NE2 HIS A 70 -3.302 -10.813 9.212 1.00 3.55 N flip ATOM 0 H HIS A 70 -2.052 -6.915 7.462 1.00 0.29 H new ATOM 0 HA HIS A 70 -0.747 -8.130 5.113 1.00 0.27 H new ATOM 0 HB2 HIS A 70 -2.890 -9.642 5.339 1.00 0.44 H new ATOM 0 HB3 HIS A 70 -1.283 -10.065 5.895 1.00 0.44 H new ATOM 0 HD2 HIS A 70 -2.166 -11.814 7.664 1.00 2.31 H new ATOM 0 HE1 HIS A 70 -4.339 -9.193 10.219 1.00 4.09 H new ATOM 0 HE2 HIS A 70 -3.434 -11.575 9.877 1.00 3.55 H new ATOM 1052 N VAL A 71 -2.320 -6.999 3.646 1.00 0.24 N ATOM 1053 CA VAL A 71 -3.169 -6.407 2.621 1.00 0.24 C ATOM 1054 C VAL A 71 -4.026 -7.497 1.974 1.00 0.28 C ATOM 1055 O VAL A 71 -3.593 -8.646 1.895 1.00 0.44 O ATOM 1056 CB VAL A 71 -2.317 -5.626 1.603 1.00 0.36 C ATOM 1057 CG1 VAL A 71 -1.399 -6.528 0.773 1.00 0.51 C ATOM 1058 CG2 VAL A 71 -3.164 -4.770 0.660 1.00 0.52 C ATOM 0 H VAL A 71 -1.416 -7.296 3.278 1.00 0.24 H new ATOM 0 HA VAL A 71 -3.850 -5.684 3.070 1.00 0.24 H new ATOM 0 HB VAL A 71 -1.696 -4.969 2.212 1.00 0.36 H new ATOM 0 HG11 VAL A 71 -0.825 -5.919 0.075 1.00 0.51 H new ATOM 0 HG12 VAL A 71 -0.717 -7.061 1.435 1.00 0.51 H new ATOM 0 HG13 VAL A 71 -2.001 -7.247 0.217 1.00 0.51 H new ATOM 0 HG21 VAL A 71 -2.512 -4.242 -0.036 1.00 0.52 H new ATOM 0 HG22 VAL A 71 -3.847 -5.410 0.102 1.00 0.52 H new ATOM 0 HG23 VAL A 71 -3.737 -4.047 1.241 1.00 0.52 H new ATOM 1068 N VAL A 72 -5.229 -7.141 1.518 1.00 0.23 N ATOM 1069 CA VAL A 72 -6.131 -8.047 0.813 1.00 0.35 C ATOM 1070 C VAL A 72 -6.392 -7.524 -0.598 1.00 0.51 C ATOM 1071 O VAL A 72 -6.658 -6.338 -0.789 1.00 0.93 O ATOM 1072 CB VAL A 72 -7.452 -8.232 1.577 1.00 0.55 C ATOM 1073 CG1 VAL A 72 -7.318 -9.282 2.671 1.00 0.76 C ATOM 1074 CG2 VAL A 72 -7.939 -6.944 2.232 1.00 0.85 C ATOM 0 H VAL A 72 -5.607 -6.200 1.631 1.00 0.23 H new ATOM 0 HA VAL A 72 -5.653 -9.024 0.748 1.00 0.35 H new ATOM 0 HB VAL A 72 -8.176 -8.549 0.826 1.00 0.55 H new ATOM 0 HG11 VAL A 72 -8.270 -9.388 3.192 1.00 0.76 H new ATOM 0 HG12 VAL A 72 -7.039 -10.237 2.226 1.00 0.76 H new ATOM 0 HG13 VAL A 72 -6.549 -8.973 3.379 1.00 0.76 H new ATOM 0 HG21 VAL A 72 -8.875 -7.134 2.757 1.00 0.85 H new ATOM 0 HG22 VAL A 72 -7.190 -6.591 2.941 1.00 0.85 H new ATOM 0 HG23 VAL A 72 -8.100 -6.185 1.467 1.00 0.85 H new ATOM 1084 N ILE A 73 -6.314 -8.425 -1.580 1.00 0.46 N ATOM 1085 CA ILE A 73 -6.512 -8.137 -2.990 1.00 0.53 C ATOM 1086 C ILE A 73 -7.865 -8.729 -3.387 1.00 0.63 C ATOM 1087 O ILE A 73 -7.958 -9.897 -3.756 1.00 0.96 O ATOM 1088 CB ILE A 73 -5.338 -8.713 -3.808 1.00 0.85 C ATOM 1089 CG1 ILE A 73 -3.961 -8.299 -3.250 1.00 1.08 C ATOM 1090 CG2 ILE A 73 -5.457 -8.316 -5.286 1.00 0.97 C ATOM 1091 CD1 ILE A 73 -3.701 -6.788 -3.243 1.00 0.81 C ATOM 0 H ILE A 73 -6.104 -9.407 -1.402 1.00 0.46 H new ATOM 0 HA ILE A 73 -6.526 -7.066 -3.192 1.00 0.53 H new ATOM 0 HB ILE A 73 -5.403 -9.798 -3.723 1.00 0.85 H new ATOM 0 HG12 ILE A 73 -3.869 -8.675 -2.231 1.00 1.08 H new ATOM 0 HG13 ILE A 73 -3.184 -8.785 -3.840 1.00 1.08 H new ATOM 0 HG21 ILE A 73 -4.618 -8.733 -5.843 1.00 0.97 H new ATOM 0 HG22 ILE A 73 -6.391 -8.703 -5.693 1.00 0.97 H new ATOM 0 HG23 ILE A 73 -5.446 -7.230 -5.373 1.00 0.97 H new ATOM 0 HD11 ILE A 73 -2.710 -6.591 -2.834 1.00 0.81 H new ATOM 0 HD12 ILE A 73 -3.756 -6.405 -4.262 1.00 0.81 H new ATOM 0 HD13 ILE A 73 -4.452 -6.292 -2.628 1.00 0.81 H new ATOM 1103 N GLU A 74 -8.913 -7.911 -3.279 1.00 0.72 N ATOM 1104 CA GLU A 74 -10.264 -8.196 -3.730 1.00 1.04 C ATOM 1105 C GLU A 74 -10.762 -6.881 -4.331 1.00 1.34 C ATOM 1106 O GLU A 74 -10.317 -5.819 -3.890 1.00 1.77 O ATOM 1107 CB GLU A 74 -11.142 -8.631 -2.545 1.00 1.65 C ATOM 1108 CG GLU A 74 -12.457 -9.282 -3.004 1.00 2.63 C ATOM 1109 CD GLU A 74 -13.585 -9.021 -2.015 1.00 3.51 C ATOM 1110 OE1 GLU A 74 -13.695 -9.810 -1.053 1.00 3.95 O ATOM 1111 OE2 GLU A 74 -14.312 -8.032 -2.248 1.00 4.62 O ATOM 0 H GLU A 74 -8.832 -6.988 -2.853 1.00 0.72 H new ATOM 0 HA GLU A 74 -10.299 -9.010 -4.454 1.00 1.04 H new ATOM 0 HB2 GLU A 74 -10.588 -9.335 -1.924 1.00 1.65 H new ATOM 0 HB3 GLU A 74 -11.366 -7.764 -1.923 1.00 1.65 H new ATOM 0 HG2 GLU A 74 -12.734 -8.893 -3.984 1.00 2.63 H new ATOM 0 HG3 GLU A 74 -12.312 -10.356 -3.117 1.00 2.63 H new ATOM 1118 N GLY A 75 -11.638 -6.948 -5.335 1.00 1.95 N ATOM 1119 CA GLY A 75 -12.226 -5.788 -5.985 1.00 2.72 C ATOM 1120 C GLY A 75 -12.395 -6.061 -7.475 1.00 2.95 C ATOM 1121 O GLY A 75 -13.515 -6.131 -7.974 1.00 4.01 O ATOM 0 H GLY A 75 -11.962 -7.834 -5.724 1.00 1.95 H new ATOM 0 HA2 GLY A 75 -13.193 -5.559 -5.536 1.00 2.72 H new ATOM 0 HA3 GLY A 75 -11.591 -4.915 -5.836 1.00 2.72 H new ATOM 1125 N ARG A 76 -11.275 -6.223 -8.176 1.00 2.65 N ATOM 1126 CA ARG A 76 -11.172 -6.569 -9.581 1.00 3.31 C ATOM 1127 C ARG A 76 -9.689 -6.844 -9.828 1.00 3.75 C ATOM 1128 O ARG A 76 -9.344 -7.163 -10.986 1.00 4.57 O ATOM 1129 CB ARG A 76 -11.682 -5.431 -10.479 1.00 4.06 C ATOM 1130 CG ARG A 76 -11.008 -4.092 -10.147 1.00 4.99 C ATOM 1131 CD ARG A 76 -11.060 -3.144 -11.348 1.00 5.85 C ATOM 1132 NE ARG A 76 -10.321 -1.907 -11.055 1.00 6.81 N ATOM 1133 CZ ARG A 76 -10.151 -0.893 -11.915 1.00 7.92 C ATOM 1134 NH1 ARG A 76 -10.689 -0.967 -13.138 1.00 8.21 N ATOM 1135 NH2 ARG A 76 -9.448 0.185 -11.549 1.00 9.10 N ATOM 1136 OXT ARG A 76 -8.927 -6.675 -8.846 1.00 4.28 O ATOM 0 H ARG A 76 -10.358 -6.107 -7.744 1.00 2.65 H new ATOM 0 HA ARG A 76 -11.787 -7.436 -9.822 1.00 3.31 H new ATOM 0 HB2 ARG A 76 -11.496 -5.682 -11.523 1.00 4.06 H new ATOM 0 HB3 ARG A 76 -12.761 -5.333 -10.362 1.00 4.06 H new ATOM 0 HG2 ARG A 76 -11.505 -3.632 -9.293 1.00 4.99 H new ATOM 0 HG3 ARG A 76 -9.971 -4.264 -9.858 1.00 4.99 H new ATOM 0 HD2 ARG A 76 -10.632 -3.632 -12.224 1.00 5.85 H new ATOM 0 HD3 ARG A 76 -12.097 -2.908 -11.589 1.00 5.85 H new ATOM 0 HE ARG A 76 -9.907 -1.814 -10.128 1.00 6.81 H new ATOM 0 HH11 ARG A 76 -11.224 -1.791 -13.411 1.00 8.21 H new ATOM 0 HH12 ARG A 76 -10.564 -0.199 -13.798 1.00 8.21 H new ATOM 0 HH21 ARG A 76 -9.041 0.236 -10.615 1.00 9.10 H new ATOM 0 HH22 ARG A 76 -9.319 0.956 -12.204 1.00 9.10 H new TER 1150 ARG A 76