USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=22 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 20 CYS SG : rot 52:sc= -0.87 USER MOD Set 1.2: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 31 MET CE :methyl -176:sc= 0 (180deg=-0.00547) USER MOD Set 2.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 57 THR OG1 : rot 180:sc= 0.117 USER MOD Set 3.2: A 61 GLN :FLIP amide:sc= -0.011 F(o=-2.9,f=0.11) USER MOD Set 4.1: A 40 ASN : amide:sc= -0.374 K(o=-0.52,f=-1.2!) USER MOD Set 4.2: A 43 THR OG1 : rot -150:sc= -0.143 USER MOD Set 5.1: A 5 GLN :FLIP amide:sc= 1.08 F(o=-1.6,f=2.3) USER MOD Set 5.2: A 35 THR OG1 : rot -163:sc= 1.25 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -104:sc= 0.0468 (180deg=-0.00613) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -137:sc= 1.11 (180deg=0.0642) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.258 F(o=-3.3!,f=-0.26) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 175:sc= -0.679 (180deg=-0.76) USER MOD Single : A 16 THR OG1 : rot -43:sc= 0.287 USER MOD Single : A 17 CYS SG : rot -25:sc= 0.00544 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 1.12 (180deg=0.83) USER MOD Single : A 38 ASN : amide:sc= 1.19 K(o=1.2,f=-0.2) USER MOD Single : A 45 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 47 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.33) USER MOD Single : A 50 TYR OH : rot 172:sc= 0.0129 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.495 USER MOD Single : A 66 LYS NZ :NH3+ -118:sc= 0.122 (180deg=-4.08!) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.0133 F(o=-1.5,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.483 1.479 -26.763 1.00 4.99 N ATOM 2 CA MET A 1 7.954 2.285 -25.650 1.00 4.01 C ATOM 3 C MET A 1 7.033 1.369 -24.856 1.00 2.66 C ATOM 4 O MET A 1 6.230 0.693 -25.494 1.00 3.01 O ATOM 5 CB MET A 1 7.162 3.486 -26.185 1.00 5.12 C ATOM 6 CG MET A 1 8.054 4.606 -26.733 1.00 6.66 C ATOM 7 SD MET A 1 7.135 5.912 -27.586 1.00 8.51 S ATOM 8 CE MET A 1 8.477 7.068 -27.940 1.00 10.12 C ATOM 0 H1 MET A 1 9.466 1.208 -26.559 1.00 4.99 H new ATOM 0 H2 MET A 1 7.904 0.622 -26.877 1.00 4.99 H new ATOM 0 H3 MET A 1 8.453 2.036 -27.640 1.00 4.99 H new ATOM 0 HA MET A 1 8.763 2.674 -25.031 1.00 4.01 H new ATOM 0 HB2 MET A 1 6.491 3.147 -26.974 1.00 5.12 H new ATOM 0 HB3 MET A 1 6.538 3.886 -25.386 1.00 5.12 H new ATOM 0 HG2 MET A 1 8.616 5.047 -25.910 1.00 6.66 H new ATOM 0 HG3 MET A 1 8.781 4.176 -27.421 1.00 6.66 H new ATOM 0 HE1 MET A 1 8.080 7.936 -28.467 1.00 10.12 H new ATOM 0 HE2 MET A 1 8.936 7.390 -27.005 1.00 10.12 H new ATOM 0 HE3 MET A 1 9.226 6.577 -28.562 1.00 10.12 H new ATOM 20 N LEU A 2 7.179 1.294 -23.530 1.00 2.60 N ATOM 21 CA LEU A 2 6.330 0.468 -22.679 1.00 2.49 C ATOM 22 C LEU A 2 6.611 0.826 -21.217 1.00 2.09 C ATOM 23 O LEU A 2 7.505 0.262 -20.593 1.00 2.99 O ATOM 24 CB LEU A 2 6.533 -1.036 -22.966 1.00 4.16 C ATOM 25 CG LEU A 2 5.248 -1.837 -22.702 1.00 5.44 C ATOM 26 CD1 LEU A 2 4.238 -1.654 -23.847 1.00 5.81 C ATOM 27 CD2 LEU A 2 5.581 -3.326 -22.575 1.00 7.23 C ATOM 0 H LEU A 2 7.895 1.809 -23.018 1.00 2.60 H new ATOM 0 HA LEU A 2 5.281 0.671 -22.896 1.00 2.49 H new ATOM 0 HB2 LEU A 2 6.841 -1.172 -24.003 1.00 4.16 H new ATOM 0 HB3 LEU A 2 7.338 -1.422 -22.341 1.00 4.16 H new ATOM 0 HG LEU A 2 4.807 -1.468 -21.776 1.00 5.44 H new ATOM 0 HD11 LEU A 2 3.338 -2.232 -23.634 1.00 5.81 H new ATOM 0 HD12 LEU A 2 3.979 -0.599 -23.939 1.00 5.81 H new ATOM 0 HD13 LEU A 2 4.680 -2.001 -24.781 1.00 5.81 H new ATOM 0 HD21 LEU A 2 4.666 -3.889 -22.388 1.00 7.23 H new ATOM 0 HD22 LEU A 2 6.040 -3.676 -23.500 1.00 7.23 H new ATOM 0 HD23 LEU A 2 6.274 -3.474 -21.747 1.00 7.23 H new ATOM 39 N SER A 3 5.876 1.807 -20.693 1.00 1.57 N ATOM 40 CA SER A 3 6.116 2.378 -19.377 1.00 1.47 C ATOM 41 C SER A 3 4.940 3.296 -19.029 1.00 1.21 C ATOM 42 O SER A 3 5.018 4.507 -19.222 1.00 1.60 O ATOM 43 CB SER A 3 7.473 3.108 -19.365 1.00 1.94 C ATOM 44 OG SER A 3 7.757 3.719 -20.619 1.00 3.19 O ATOM 0 H SER A 3 5.087 2.230 -21.182 1.00 1.57 H new ATOM 0 HA SER A 3 6.175 1.602 -18.613 1.00 1.47 H new ATOM 0 HB2 SER A 3 7.470 3.868 -18.583 1.00 1.94 H new ATOM 0 HB3 SER A 3 8.264 2.400 -19.118 1.00 1.94 H new ATOM 0 HG SER A 3 8.624 4.173 -20.573 1.00 3.19 H new ATOM 50 N GLU A 4 3.839 2.708 -18.549 1.00 0.78 N ATOM 51 CA GLU A 4 2.706 3.415 -17.991 1.00 0.56 C ATOM 52 C GLU A 4 2.537 2.877 -16.575 1.00 0.43 C ATOM 53 O GLU A 4 2.559 1.663 -16.372 1.00 0.59 O ATOM 54 CB GLU A 4 1.432 3.192 -18.829 1.00 0.65 C ATOM 55 CG GLU A 4 0.242 3.821 -18.081 1.00 2.26 C ATOM 56 CD GLU A 4 -1.103 3.753 -18.792 1.00 2.83 C ATOM 57 OE1 GLU A 4 -1.122 3.969 -20.021 1.00 3.00 O ATOM 58 OE2 GLU A 4 -2.101 3.493 -18.075 1.00 3.97 O ATOM 0 H GLU A 4 3.719 1.695 -18.543 1.00 0.78 H new ATOM 0 HA GLU A 4 2.875 4.492 -17.991 1.00 0.56 H new ATOM 0 HB2 GLU A 4 1.542 3.644 -19.815 1.00 0.65 H new ATOM 0 HB3 GLU A 4 1.262 2.127 -18.984 1.00 0.65 H new ATOM 0 HG2 GLU A 4 0.145 3.328 -17.114 1.00 2.26 H new ATOM 0 HG3 GLU A 4 0.474 4.868 -17.884 1.00 2.26 H new ATOM 65 N GLN A 5 2.361 3.787 -15.622 1.00 0.32 N ATOM 66 CA GLN A 5 2.084 3.478 -14.235 1.00 0.25 C ATOM 67 C GLN A 5 0.581 3.458 -13.977 1.00 0.27 C ATOM 68 O GLN A 5 -0.186 4.002 -14.769 1.00 0.41 O ATOM 69 CB GLN A 5 2.775 4.507 -13.349 1.00 0.24 C ATOM 70 CG GLN A 5 2.246 5.941 -13.536 1.00 0.24 C ATOM 71 CD GLN A 5 3.071 6.942 -12.741 1.00 0.32 C ATOM 72 OE1 GLN A 5 3.557 6.517 -11.584 1.00 0.61 O flip ATOM 73 NE2 GLN A 5 3.268 8.078 -13.159 1.00 0.39 N flip ATOM 0 H GLN A 5 2.410 4.789 -15.806 1.00 0.32 H new ATOM 0 HA GLN A 5 2.470 2.486 -14.000 1.00 0.25 H new ATOM 0 HB2 GLN A 5 2.651 4.217 -12.306 1.00 0.24 H new ATOM 0 HB3 GLN A 5 3.845 4.494 -13.558 1.00 0.24 H new ATOM 0 HG2 GLN A 5 2.270 6.205 -14.593 1.00 0.24 H new ATOM 0 HG3 GLN A 5 1.204 5.991 -13.218 1.00 0.24 H new ATOM 0 HE21 GLN A 5 2.876 8.367 -14.055 1.00 0.39 H new ATOM 0 HE22 GLN A 5 3.824 8.734 -12.610 1.00 0.39 H new ATOM 82 N LYS A 6 0.152 2.861 -12.862 1.00 0.21 N ATOM 83 CA LYS A 6 -1.266 2.729 -12.565 1.00 0.26 C ATOM 84 C LYS A 6 -1.469 2.828 -11.057 1.00 0.26 C ATOM 85 O LYS A 6 -0.558 2.573 -10.265 1.00 0.26 O ATOM 86 CB LYS A 6 -1.772 1.377 -13.098 1.00 0.36 C ATOM 87 CG LYS A 6 -2.401 1.497 -14.498 1.00 0.79 C ATOM 88 CD LYS A 6 -3.924 1.671 -14.448 1.00 1.18 C ATOM 89 CE LYS A 6 -4.520 1.978 -15.832 1.00 1.94 C ATOM 90 NZ LYS A 6 -4.035 3.258 -16.397 1.00 3.71 N ATOM 0 H LYS A 6 0.770 2.464 -12.154 1.00 0.21 H new ATOM 0 HA LYS A 6 -1.831 3.526 -13.048 1.00 0.26 H new ATOM 0 HB2 LYS A 6 -0.943 0.670 -13.134 1.00 0.36 H new ATOM 0 HB3 LYS A 6 -2.508 0.969 -12.406 1.00 0.36 H new ATOM 0 HG2 LYS A 6 -1.959 2.346 -15.019 1.00 0.79 H new ATOM 0 HG3 LYS A 6 -2.160 0.606 -15.078 1.00 0.79 H new ATOM 0 HD2 LYS A 6 -4.379 0.763 -14.052 1.00 1.18 H new ATOM 0 HD3 LYS A 6 -4.173 2.479 -13.760 1.00 1.18 H new ATOM 0 HE2 LYS A 6 -4.272 1.167 -16.517 1.00 1.94 H new ATOM 0 HE3 LYS A 6 -5.607 2.009 -15.755 1.00 1.94 H new ATOM 0 HZ1 LYS A 6 -4.831 3.773 -16.824 1.00 3.71 H new ATOM 0 HZ2 LYS A 6 -3.615 3.835 -15.640 1.00 3.71 H new ATOM 0 HZ3 LYS A 6 -3.317 3.066 -17.125 1.00 3.71 H new ATOM 104 N GLU A 7 -2.692 3.197 -10.691 1.00 0.29 N ATOM 105 CA GLU A 7 -3.188 3.238 -9.335 1.00 0.27 C ATOM 106 C GLU A 7 -3.783 1.876 -8.967 1.00 0.31 C ATOM 107 O GLU A 7 -4.647 1.339 -9.668 1.00 0.61 O ATOM 108 CB GLU A 7 -4.184 4.399 -9.173 1.00 0.33 C ATOM 109 CG GLU A 7 -5.312 4.415 -10.215 1.00 0.50 C ATOM 110 CD GLU A 7 -4.936 5.105 -11.521 1.00 2.06 C ATOM 111 OE1 GLU A 7 -4.404 4.384 -12.396 1.00 3.71 O ATOM 112 OE2 GLU A 7 -5.186 6.323 -11.619 1.00 2.53 O ATOM 0 H GLU A 7 -3.393 3.489 -11.372 1.00 0.29 H new ATOM 0 HA GLU A 7 -2.373 3.430 -8.637 1.00 0.27 H new ATOM 0 HB2 GLU A 7 -4.626 4.347 -8.178 1.00 0.33 H new ATOM 0 HB3 GLU A 7 -3.638 5.341 -9.231 1.00 0.33 H new ATOM 0 HG2 GLU A 7 -5.609 3.389 -10.430 1.00 0.50 H new ATOM 0 HG3 GLU A 7 -6.181 4.916 -9.788 1.00 0.50 H new ATOM 119 N ILE A 8 -3.348 1.309 -7.843 1.00 0.22 N ATOM 120 CA ILE A 8 -4.048 0.202 -7.213 1.00 0.22 C ATOM 121 C ILE A 8 -4.728 0.763 -5.967 1.00 0.23 C ATOM 122 O ILE A 8 -4.255 1.753 -5.404 1.00 0.26 O ATOM 123 CB ILE A 8 -3.078 -0.966 -6.944 1.00 0.24 C ATOM 124 CG1 ILE A 8 -3.730 -2.329 -7.228 1.00 0.39 C ATOM 125 CG2 ILE A 8 -2.529 -0.946 -5.517 1.00 0.37 C ATOM 126 CD1 ILE A 8 -3.760 -2.620 -8.732 1.00 1.09 C ATOM 0 H ILE A 8 -2.506 1.605 -7.350 1.00 0.22 H new ATOM 0 HA ILE A 8 -4.816 -0.227 -7.856 1.00 0.22 H new ATOM 0 HB ILE A 8 -2.245 -0.827 -7.633 1.00 0.24 H new ATOM 0 HG12 ILE A 8 -3.178 -3.115 -6.713 1.00 0.39 H new ATOM 0 HG13 ILE A 8 -4.745 -2.340 -6.831 1.00 0.39 H new ATOM 0 HG21 ILE A 8 -1.851 -1.788 -5.376 1.00 0.37 H new ATOM 0 HG22 ILE A 8 -1.990 -0.014 -5.347 1.00 0.37 H new ATOM 0 HG23 ILE A 8 -3.354 -1.022 -4.809 1.00 0.37 H new ATOM 0 HD11 ILE A 8 -4.226 -3.590 -8.906 1.00 1.09 H new ATOM 0 HD12 ILE A 8 -4.334 -1.845 -9.241 1.00 1.09 H new ATOM 0 HD13 ILE A 8 -2.742 -2.632 -9.121 1.00 1.09 H new ATOM 138 N ALA A 9 -5.839 0.144 -5.559 1.00 0.26 N ATOM 139 CA ALA A 9 -6.585 0.480 -4.357 1.00 0.29 C ATOM 140 C ALA A 9 -7.048 -0.829 -3.732 1.00 0.30 C ATOM 141 O ALA A 9 -7.513 -1.704 -4.461 1.00 0.35 O ATOM 142 CB ALA A 9 -7.766 1.390 -4.699 1.00 0.33 C ATOM 0 H ALA A 9 -6.253 -0.630 -6.078 1.00 0.26 H new ATOM 0 HA ALA A 9 -5.963 1.028 -3.650 1.00 0.29 H new ATOM 0 HB1 ALA A 9 -8.314 1.632 -3.789 1.00 0.33 H new ATOM 0 HB2 ALA A 9 -7.397 2.308 -5.156 1.00 0.33 H new ATOM 0 HB3 ALA A 9 -8.429 0.879 -5.397 1.00 0.33 H new ATOM 148 N MET A 10 -6.857 -0.990 -2.420 1.00 0.30 N ATOM 149 CA MET A 10 -7.060 -2.261 -1.737 1.00 0.35 C ATOM 150 C MET A 10 -7.339 -2.037 -0.253 1.00 0.33 C ATOM 151 O MET A 10 -7.039 -0.961 0.270 1.00 0.36 O ATOM 152 CB MET A 10 -5.815 -3.127 -1.929 1.00 0.59 C ATOM 153 CG MET A 10 -4.571 -2.444 -1.339 1.00 0.77 C ATOM 154 SD MET A 10 -3.099 -2.503 -2.382 1.00 1.20 S ATOM 155 CE MET A 10 -2.012 -1.375 -1.486 1.00 1.25 C ATOM 0 H MET A 10 -6.556 -0.236 -1.803 1.00 0.30 H new ATOM 0 HA MET A 10 -7.926 -2.769 -2.161 1.00 0.35 H new ATOM 0 HB2 MET A 10 -5.964 -4.095 -1.450 1.00 0.59 H new ATOM 0 HB3 MET A 10 -5.660 -3.317 -2.991 1.00 0.59 H new ATOM 0 HG2 MET A 10 -4.811 -1.401 -1.134 1.00 0.77 H new ATOM 0 HG3 MET A 10 -4.338 -2.911 -0.382 1.00 0.77 H new ATOM 0 HE1 MET A 10 -1.056 -1.302 -2.005 1.00 1.25 H new ATOM 0 HE2 MET A 10 -2.473 -0.389 -1.435 1.00 1.25 H new ATOM 0 HE3 MET A 10 -1.849 -1.752 -0.476 1.00 1.25 H new ATOM 165 N GLN A 11 -7.880 -3.058 0.423 1.00 0.34 N ATOM 166 CA GLN A 11 -8.158 -2.970 1.846 1.00 0.34 C ATOM 167 C GLN A 11 -6.942 -3.519 2.581 1.00 0.32 C ATOM 168 O GLN A 11 -6.187 -4.331 2.037 1.00 0.42 O ATOM 169 CB GLN A 11 -9.469 -3.658 2.295 1.00 0.45 C ATOM 170 CG GLN A 11 -10.526 -3.940 1.217 1.00 0.42 C ATOM 171 CD GLN A 11 -10.225 -5.262 0.520 1.00 1.08 C ATOM 172 OE1 GLN A 11 -9.572 -5.201 -0.633 1.00 2.26 O flip ATOM 173 NE2 GLN A 11 -10.517 -6.330 1.045 1.00 0.72 N flip ATOM 0 H GLN A 11 -8.131 -3.951 -0.000 1.00 0.34 H new ATOM 0 HA GLN A 11 -8.330 -1.923 2.096 1.00 0.34 H new ATOM 0 HB2 GLN A 11 -9.208 -4.606 2.766 1.00 0.45 H new ATOM 0 HB3 GLN A 11 -9.929 -3.037 3.063 1.00 0.45 H new ATOM 0 HG2 GLN A 11 -11.517 -3.976 1.669 1.00 0.42 H new ATOM 0 HG3 GLN A 11 -10.538 -3.130 0.488 1.00 0.42 H new ATOM 0 HE21 GLN A 11 -11.020 -6.341 1.932 1.00 0.72 H new ATOM 0 HE22 GLN A 11 -10.257 -7.208 0.595 1.00 0.72 H new ATOM 182 N VAL A 12 -6.759 -3.068 3.816 1.00 0.33 N ATOM 183 CA VAL A 12 -5.735 -3.583 4.713 1.00 0.29 C ATOM 184 C VAL A 12 -6.429 -4.199 5.916 1.00 0.32 C ATOM 185 O VAL A 12 -7.609 -3.937 6.145 1.00 0.56 O ATOM 186 CB VAL A 12 -4.728 -2.490 5.119 1.00 0.38 C ATOM 187 CG1 VAL A 12 -3.312 -3.062 5.207 1.00 0.37 C ATOM 188 CG2 VAL A 12 -4.688 -1.348 4.103 1.00 0.51 C ATOM 0 H VAL A 12 -7.325 -2.325 4.227 1.00 0.33 H new ATOM 0 HA VAL A 12 -5.147 -4.346 4.204 1.00 0.29 H new ATOM 0 HB VAL A 12 -5.060 -2.116 6.087 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -2.618 -2.272 5.495 1.00 0.37 H new ATOM 0 HG12 VAL A 12 -3.286 -3.857 5.952 1.00 0.37 H new ATOM 0 HG13 VAL A 12 -3.021 -3.464 4.237 1.00 0.37 H new ATOM 0 HG21 VAL A 12 -3.966 -0.598 4.426 1.00 0.51 H new ATOM 0 HG22 VAL A 12 -4.394 -1.738 3.128 1.00 0.51 H new ATOM 0 HG23 VAL A 12 -5.675 -0.892 4.029 1.00 0.51 H new ATOM 198 N SER A 13 -5.706 -5.015 6.679 1.00 0.33 N ATOM 199 CA SER A 13 -6.191 -5.564 7.925 1.00 0.42 C ATOM 200 C SER A 13 -5.141 -5.268 9.000 1.00 0.46 C ATOM 201 O SER A 13 -3.945 -5.268 8.710 1.00 0.62 O ATOM 202 CB SER A 13 -6.474 -7.058 7.718 1.00 0.71 C ATOM 203 OG SER A 13 -7.570 -7.462 8.513 1.00 1.07 O ATOM 0 H SER A 13 -4.760 -5.311 6.440 1.00 0.33 H new ATOM 0 HA SER A 13 -7.128 -5.116 8.255 1.00 0.42 H new ATOM 0 HB2 SER A 13 -6.686 -7.253 6.667 1.00 0.71 H new ATOM 0 HB3 SER A 13 -5.591 -7.642 7.979 1.00 0.71 H new ATOM 0 HG SER A 13 -7.743 -8.416 8.372 1.00 1.07 H new ATOM 209 N GLY A 14 -5.590 -4.959 10.221 1.00 0.52 N ATOM 210 CA GLY A 14 -4.723 -4.678 11.359 1.00 0.70 C ATOM 211 C GLY A 14 -4.590 -3.185 11.679 1.00 0.84 C ATOM 212 O GLY A 14 -4.058 -2.839 12.732 1.00 1.42 O ATOM 0 H GLY A 14 -6.583 -4.897 10.445 1.00 0.52 H new ATOM 0 HA2 GLY A 14 -5.111 -5.195 12.236 1.00 0.70 H new ATOM 0 HA3 GLY A 14 -3.733 -5.087 11.160 1.00 0.70 H new ATOM 216 N MET A 15 -5.060 -2.283 10.806 1.00 0.70 N ATOM 217 CA MET A 15 -5.108 -0.864 11.130 1.00 0.86 C ATOM 218 C MET A 15 -5.982 -0.621 12.370 1.00 1.01 C ATOM 219 O MET A 15 -6.878 -1.409 12.666 1.00 1.19 O ATOM 220 CB MET A 15 -5.603 -0.041 9.924 1.00 1.04 C ATOM 221 CG MET A 15 -7.054 -0.354 9.509 1.00 0.99 C ATOM 222 SD MET A 15 -7.302 -1.630 8.255 1.00 2.51 S ATOM 223 CE MET A 15 -7.158 -0.619 6.768 1.00 3.18 C ATOM 0 H MET A 15 -5.409 -2.516 9.876 1.00 0.70 H new ATOM 0 HA MET A 15 -4.097 -0.531 11.363 1.00 0.86 H new ATOM 0 HB2 MET A 15 -5.524 1.020 10.163 1.00 1.04 H new ATOM 0 HB3 MET A 15 -4.945 -0.226 9.075 1.00 1.04 H new ATOM 0 HG2 MET A 15 -7.604 -0.648 10.403 1.00 0.99 H new ATOM 0 HG3 MET A 15 -7.507 0.568 9.145 1.00 0.99 H new ATOM 0 HE1 MET A 15 -7.197 -1.260 5.887 1.00 3.18 H new ATOM 0 HE2 MET A 15 -7.980 0.096 6.733 1.00 3.18 H new ATOM 0 HE3 MET A 15 -6.210 -0.081 6.784 1.00 3.18 H new ATOM 233 N THR A 16 -5.765 0.503 13.057 1.00 1.41 N ATOM 234 CA THR A 16 -6.646 0.982 14.120 1.00 1.75 C ATOM 235 C THR A 16 -6.964 2.467 13.883 1.00 1.29 C ATOM 236 O THR A 16 -7.107 3.248 14.818 1.00 1.62 O ATOM 237 CB THR A 16 -6.016 0.651 15.489 1.00 2.71 C ATOM 238 OG1 THR A 16 -6.866 0.988 16.564 1.00 4.32 O ATOM 239 CG2 THR A 16 -4.652 1.316 15.698 1.00 3.67 C ATOM 0 H THR A 16 -4.964 1.111 12.888 1.00 1.41 H new ATOM 0 HA THR A 16 -7.610 0.474 14.113 1.00 1.75 H new ATOM 0 HB THR A 16 -5.870 -0.429 15.476 1.00 2.71 H new ATOM 0 HG1 THR A 16 -7.270 1.865 16.399 1.00 4.32 H new ATOM 0 HG21 THR A 16 -4.261 1.045 16.679 1.00 3.67 H new ATOM 0 HG22 THR A 16 -3.961 0.979 14.926 1.00 3.67 H new ATOM 0 HG23 THR A 16 -4.762 2.399 15.638 1.00 3.67 H new ATOM 247 N CYS A 17 -7.057 2.868 12.608 1.00 1.30 N ATOM 248 CA CYS A 17 -7.360 4.226 12.145 1.00 2.09 C ATOM 249 C CYS A 17 -6.230 5.231 12.405 1.00 2.06 C ATOM 250 O CYS A 17 -5.847 5.980 11.511 1.00 3.37 O ATOM 251 CB CYS A 17 -8.689 4.745 12.694 1.00 2.92 C ATOM 252 SG CYS A 17 -9.133 6.229 11.752 1.00 4.23 S ATOM 0 H CYS A 17 -6.915 2.220 11.833 1.00 1.30 H new ATOM 0 HA CYS A 17 -7.454 4.138 11.063 1.00 2.09 H new ATOM 0 HB2 CYS A 17 -9.465 3.985 12.599 1.00 2.92 H new ATOM 0 HB3 CYS A 17 -8.600 4.978 13.755 1.00 2.92 H new ATOM 0 HG CYS A 17 -8.058 6.768 11.259 1.00 4.23 H new ATOM 258 N ALA A 18 -5.706 5.276 13.631 1.00 1.52 N ATOM 259 CA ALA A 18 -4.670 6.197 14.070 1.00 1.60 C ATOM 260 C ALA A 18 -3.379 6.030 13.258 1.00 1.66 C ATOM 261 O ALA A 18 -2.482 5.288 13.652 1.00 2.81 O ATOM 262 CB ALA A 18 -4.428 5.985 15.568 1.00 1.88 C ATOM 0 H ALA A 18 -6.008 4.643 14.372 1.00 1.52 H new ATOM 0 HA ALA A 18 -5.004 7.221 13.900 1.00 1.60 H new ATOM 0 HB1 ALA A 18 -3.653 6.670 15.912 1.00 1.88 H new ATOM 0 HB2 ALA A 18 -5.350 6.177 16.116 1.00 1.88 H new ATOM 0 HB3 ALA A 18 -4.109 4.958 15.743 1.00 1.88 H new ATOM 268 N ALA A 19 -3.300 6.719 12.112 1.00 1.06 N ATOM 269 CA ALA A 19 -2.105 6.890 11.282 1.00 0.83 C ATOM 270 C ALA A 19 -1.529 5.568 10.752 1.00 0.79 C ATOM 271 O ALA A 19 -0.402 5.522 10.261 1.00 0.75 O ATOM 272 CB ALA A 19 -1.052 7.690 12.059 1.00 1.11 C ATOM 0 H ALA A 19 -4.112 7.196 11.720 1.00 1.06 H new ATOM 0 HA ALA A 19 -2.405 7.446 10.394 1.00 0.83 H new ATOM 0 HB1 ALA A 19 -0.163 7.817 11.441 1.00 1.11 H new ATOM 0 HB2 ALA A 19 -1.457 8.668 12.318 1.00 1.11 H new ATOM 0 HB3 ALA A 19 -0.787 7.154 12.970 1.00 1.11 H new ATOM 278 N CYS A 20 -2.295 4.483 10.853 1.00 0.95 N ATOM 279 CA CYS A 20 -1.774 3.140 10.646 1.00 1.04 C ATOM 280 C CYS A 20 -1.485 2.902 9.174 1.00 0.87 C ATOM 281 O CYS A 20 -0.333 2.753 8.771 1.00 0.74 O ATOM 282 CB CYS A 20 -2.780 2.117 11.177 1.00 1.37 C ATOM 283 SG CYS A 20 -2.447 1.820 12.924 1.00 1.66 S ATOM 0 H CYS A 20 -3.289 4.513 11.080 1.00 0.95 H new ATOM 0 HA CYS A 20 -0.837 3.029 11.191 1.00 1.04 H new ATOM 0 HB2 CYS A 20 -3.797 2.486 11.045 1.00 1.37 H new ATOM 0 HB3 CYS A 20 -2.703 1.186 10.615 1.00 1.37 H new ATOM 0 HG CYS A 20 -2.385 2.956 13.553 1.00 1.66 H new ATOM 289 N ALA A 21 -2.534 2.929 8.347 1.00 0.92 N ATOM 290 CA ALA A 21 -2.372 2.647 6.930 1.00 0.88 C ATOM 291 C ALA A 21 -1.508 3.708 6.255 1.00 0.71 C ATOM 292 O ALA A 21 -0.804 3.413 5.295 1.00 0.76 O ATOM 293 CB ALA A 21 -3.717 2.425 6.245 1.00 1.13 C ATOM 0 H ALA A 21 -3.489 3.141 8.635 1.00 0.92 H new ATOM 0 HA ALA A 21 -1.832 1.706 6.825 1.00 0.88 H new ATOM 0 HB1 ALA A 21 -3.557 2.217 5.187 1.00 1.13 H new ATOM 0 HB2 ALA A 21 -4.226 1.580 6.708 1.00 1.13 H new ATOM 0 HB3 ALA A 21 -4.331 3.320 6.350 1.00 1.13 H new ATOM 299 N ALA A 22 -1.508 4.929 6.796 1.00 0.57 N ATOM 300 CA ALA A 22 -0.577 5.967 6.391 1.00 0.41 C ATOM 301 C ALA A 22 0.866 5.469 6.507 1.00 0.38 C ATOM 302 O ALA A 22 1.612 5.523 5.533 1.00 0.35 O ATOM 303 CB ALA A 22 -0.805 7.209 7.250 1.00 0.34 C ATOM 0 H ALA A 22 -2.157 5.219 7.527 1.00 0.57 H new ATOM 0 HA ALA A 22 -0.750 6.225 5.346 1.00 0.41 H new ATOM 0 HB1 ALA A 22 -0.108 7.992 6.950 1.00 0.34 H new ATOM 0 HB2 ALA A 22 -1.827 7.562 7.115 1.00 0.34 H new ATOM 0 HB3 ALA A 22 -0.642 6.961 8.299 1.00 0.34 H new ATOM 309 N ARG A 23 1.264 4.987 7.690 1.00 0.42 N ATOM 310 CA ARG A 23 2.607 4.461 7.921 1.00 0.42 C ATOM 311 C ARG A 23 2.866 3.236 7.047 1.00 0.35 C ATOM 312 O ARG A 23 3.904 3.162 6.386 1.00 0.36 O ATOM 313 CB ARG A 23 2.799 4.142 9.411 1.00 0.58 C ATOM 314 CG ARG A 23 2.802 5.418 10.266 1.00 0.77 C ATOM 315 CD ARG A 23 4.179 6.095 10.285 1.00 1.34 C ATOM 316 NE ARG A 23 4.075 7.473 10.792 1.00 2.27 N ATOM 317 CZ ARG A 23 5.114 8.286 11.046 1.00 3.01 C ATOM 318 NH1 ARG A 23 6.364 7.824 10.936 1.00 3.21 N ATOM 319 NH2 ARG A 23 4.896 9.558 11.399 1.00 4.05 N ATOM 0 H ARG A 23 0.661 4.952 8.512 1.00 0.42 H new ATOM 0 HA ARG A 23 3.337 5.220 7.641 1.00 0.42 H new ATOM 0 HB2 ARG A 23 2.002 3.480 9.748 1.00 0.58 H new ATOM 0 HB3 ARG A 23 3.738 3.607 9.551 1.00 0.58 H new ATOM 0 HG2 ARG A 23 2.060 6.116 9.878 1.00 0.77 H new ATOM 0 HG3 ARG A 23 2.505 5.172 11.285 1.00 0.77 H new ATOM 0 HD2 ARG A 23 4.863 5.522 10.912 1.00 1.34 H new ATOM 0 HD3 ARG A 23 4.600 6.103 9.279 1.00 1.34 H new ATOM 0 HE ARG A 23 3.139 7.840 10.964 1.00 2.27 H new ATOM 0 HH11 ARG A 23 6.527 6.856 10.660 1.00 3.21 H new ATOM 0 HH12 ARG A 23 7.154 8.440 11.128 1.00 3.21 H new ATOM 0 HH21 ARG A 23 3.942 9.910 11.475 1.00 4.05 H new ATOM 0 HH22 ARG A 23 5.684 10.176 11.592 1.00 4.05 H new ATOM 333 N ILE A 24 1.921 2.293 7.037 1.00 0.31 N ATOM 334 CA ILE A 24 2.018 1.090 6.220 1.00 0.33 C ATOM 335 C ILE A 24 2.369 1.478 4.782 1.00 0.28 C ATOM 336 O ILE A 24 3.381 1.025 4.244 1.00 0.31 O ATOM 337 CB ILE A 24 0.703 0.293 6.281 1.00 0.35 C ATOM 338 CG1 ILE A 24 0.400 -0.233 7.693 1.00 0.44 C ATOM 339 CG2 ILE A 24 0.758 -0.908 5.335 1.00 0.49 C ATOM 340 CD1 ILE A 24 -1.082 -0.602 7.862 1.00 0.58 C ATOM 0 H ILE A 24 1.069 2.346 7.596 1.00 0.31 H new ATOM 0 HA ILE A 24 2.809 0.448 6.608 1.00 0.33 H new ATOM 0 HB ILE A 24 -0.085 0.986 5.985 1.00 0.35 H new ATOM 0 HG12 ILE A 24 1.017 -1.109 7.894 1.00 0.44 H new ATOM 0 HG13 ILE A 24 0.672 0.524 8.428 1.00 0.44 H new ATOM 0 HG21 ILE A 24 -0.181 -1.459 5.392 1.00 0.49 H new ATOM 0 HG22 ILE A 24 0.913 -0.560 4.314 1.00 0.49 H new ATOM 0 HG23 ILE A 24 1.581 -1.562 5.624 1.00 0.49 H new ATOM 0 HD11 ILE A 24 -1.252 -0.969 8.874 1.00 0.58 H new ATOM 0 HD12 ILE A 24 -1.699 0.280 7.687 1.00 0.58 H new ATOM 0 HD13 ILE A 24 -1.348 -1.379 7.145 1.00 0.58 H new ATOM 352 N GLU A 25 1.547 2.333 4.161 1.00 0.22 N ATOM 353 CA GLU A 25 1.766 2.675 2.766 1.00 0.21 C ATOM 354 C GLU A 25 3.042 3.506 2.637 1.00 0.24 C ATOM 355 O GLU A 25 3.842 3.266 1.749 1.00 0.44 O ATOM 356 CB GLU A 25 0.580 3.435 2.154 1.00 0.26 C ATOM 357 CG GLU A 25 0.025 2.745 0.901 1.00 0.25 C ATOM 358 CD GLU A 25 1.057 2.395 -0.161 1.00 1.82 C ATOM 359 OE1 GLU A 25 1.981 3.208 -0.358 1.00 3.48 O ATOM 360 OE2 GLU A 25 0.877 1.324 -0.773 1.00 2.28 O ATOM 0 H GLU A 25 0.744 2.787 4.597 1.00 0.22 H new ATOM 0 HA GLU A 25 1.868 1.742 2.212 1.00 0.21 H new ATOM 0 HB2 GLU A 25 -0.213 3.525 2.897 1.00 0.26 H new ATOM 0 HB3 GLU A 25 0.894 4.447 1.899 1.00 0.26 H new ATOM 0 HG2 GLU A 25 -0.483 1.830 1.205 1.00 0.25 H new ATOM 0 HG3 GLU A 25 -0.728 3.394 0.453 1.00 0.25 H new ATOM 367 N LYS A 26 3.285 4.480 3.523 1.00 0.18 N ATOM 368 CA LYS A 26 4.515 5.261 3.496 1.00 0.20 C ATOM 369 C LYS A 26 5.756 4.362 3.413 1.00 0.22 C ATOM 370 O LYS A 26 6.718 4.696 2.721 1.00 0.26 O ATOM 371 CB LYS A 26 4.563 6.179 4.717 1.00 0.26 C ATOM 372 CG LYS A 26 3.870 7.528 4.469 1.00 0.38 C ATOM 373 CD LYS A 26 4.855 8.497 3.790 1.00 0.56 C ATOM 374 CE LYS A 26 4.284 9.920 3.698 1.00 0.72 C ATOM 375 NZ LYS A 26 5.301 10.905 3.265 1.00 2.04 N ATOM 0 H LYS A 26 2.639 4.742 4.268 1.00 0.18 H new ATOM 0 HA LYS A 26 4.520 5.876 2.596 1.00 0.20 H new ATOM 0 HB2 LYS A 26 4.087 5.680 5.561 1.00 0.26 H new ATOM 0 HB3 LYS A 26 5.602 6.354 4.995 1.00 0.26 H new ATOM 0 HG2 LYS A 26 2.991 7.387 3.840 1.00 0.38 H new ATOM 0 HG3 LYS A 26 3.522 7.949 5.413 1.00 0.38 H new ATOM 0 HD2 LYS A 26 5.790 8.516 4.350 1.00 0.56 H new ATOM 0 HD3 LYS A 26 5.090 8.134 2.789 1.00 0.56 H new ATOM 0 HE2 LYS A 26 3.450 9.930 2.997 1.00 0.72 H new ATOM 0 HE3 LYS A 26 3.887 10.214 4.670 1.00 0.72 H new ATOM 0 HZ1 LYS A 26 4.870 11.850 3.217 1.00 2.04 H new ATOM 0 HZ2 LYS A 26 6.086 10.916 3.947 1.00 2.04 H new ATOM 0 HZ3 LYS A 26 5.662 10.641 2.326 1.00 2.04 H new ATOM 389 N GLY A 27 5.719 3.212 4.089 1.00 0.22 N ATOM 390 CA GLY A 27 6.697 2.153 3.902 1.00 0.30 C ATOM 391 C GLY A 27 6.854 1.763 2.426 1.00 0.35 C ATOM 392 O GLY A 27 7.963 1.744 1.900 1.00 0.44 O ATOM 0 H GLY A 27 5.004 2.994 4.783 1.00 0.22 H new ATOM 0 HA2 GLY A 27 7.661 2.477 4.295 1.00 0.30 H new ATOM 0 HA3 GLY A 27 6.396 1.277 4.477 1.00 0.30 H new ATOM 396 N LEU A 28 5.754 1.470 1.736 1.00 0.34 N ATOM 397 CA LEU A 28 5.758 1.174 0.310 1.00 0.38 C ATOM 398 C LEU A 28 6.100 2.387 -0.551 1.00 0.34 C ATOM 399 O LEU A 28 6.674 2.209 -1.618 1.00 0.34 O ATOM 400 CB LEU A 28 4.409 0.622 -0.123 1.00 0.45 C ATOM 401 CG LEU A 28 4.053 -0.699 0.550 1.00 0.49 C ATOM 402 CD1 LEU A 28 2.604 -0.987 0.162 1.00 0.55 C ATOM 403 CD2 LEU A 28 5.041 -1.816 0.179 1.00 0.48 C ATOM 0 H LEU A 28 4.826 1.432 2.158 1.00 0.34 H new ATOM 0 HA LEU A 28 6.539 0.429 0.157 1.00 0.38 H new ATOM 0 HB2 LEU A 28 3.635 1.356 0.101 1.00 0.45 H new ATOM 0 HB3 LEU A 28 4.412 0.482 -1.204 1.00 0.45 H new ATOM 0 HG LEU A 28 4.137 -0.642 1.635 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.286 -1.926 0.615 1.00 0.55 H new ATOM 0 HD12 LEU A 28 1.965 -0.178 0.516 1.00 0.55 H new ATOM 0 HD13 LEU A 28 2.526 -1.063 -0.923 1.00 0.55 H new ATOM 0 HD21 LEU A 28 4.751 -2.740 0.680 1.00 0.48 H new ATOM 0 HD22 LEU A 28 5.029 -1.969 -0.900 1.00 0.48 H new ATOM 0 HD23 LEU A 28 6.045 -1.533 0.494 1.00 0.48 H new ATOM 415 N LYS A 29 5.811 3.615 -0.117 1.00 0.32 N ATOM 416 CA LYS A 29 6.211 4.814 -0.849 1.00 0.35 C ATOM 417 C LYS A 29 7.752 4.903 -0.928 1.00 0.30 C ATOM 418 O LYS A 29 8.282 5.672 -1.725 1.00 0.36 O ATOM 419 CB LYS A 29 5.436 6.067 -0.383 1.00 0.47 C ATOM 420 CG LYS A 29 5.900 7.388 -1.032 1.00 0.71 C ATOM 421 CD LYS A 29 5.073 8.633 -0.636 1.00 0.92 C ATOM 422 CE LYS A 29 3.574 8.315 -0.505 1.00 1.37 C ATOM 423 NZ LYS A 29 2.671 9.493 -0.496 1.00 2.29 N ATOM 0 H LYS A 29 5.298 3.804 0.744 1.00 0.32 H new ATOM 0 HA LYS A 29 5.903 4.748 -1.893 1.00 0.35 H new ATOM 0 HB2 LYS A 29 4.377 5.924 -0.598 1.00 0.47 H new ATOM 0 HB3 LYS A 29 5.532 6.156 0.699 1.00 0.47 H new ATOM 0 HG2 LYS A 29 6.942 7.561 -0.763 1.00 0.71 H new ATOM 0 HG3 LYS A 29 5.864 7.276 -2.116 1.00 0.71 H new ATOM 0 HD2 LYS A 29 5.443 9.028 0.310 1.00 0.92 H new ATOM 0 HD3 LYS A 29 5.213 9.414 -1.384 1.00 0.92 H new ATOM 0 HE2 LYS A 29 3.285 7.663 -1.330 1.00 1.37 H new ATOM 0 HE3 LYS A 29 3.418 7.752 0.416 1.00 1.37 H new ATOM 0 HZ1 LYS A 29 1.714 9.195 -0.220 1.00 2.29 H new ATOM 0 HZ2 LYS A 29 3.024 10.196 0.184 1.00 2.29 H new ATOM 0 HZ3 LYS A 29 2.641 9.915 -1.446 1.00 2.29 H new ATOM 437 N ARG A 30 8.486 4.129 -0.115 1.00 0.25 N ATOM 438 CA ARG A 30 9.923 3.928 -0.298 1.00 0.29 C ATOM 439 C ARG A 30 10.288 3.006 -1.482 1.00 0.37 C ATOM 440 O ARG A 30 11.416 3.084 -1.965 1.00 0.65 O ATOM 441 CB ARG A 30 10.541 3.385 1.005 1.00 0.51 C ATOM 442 CG ARG A 30 11.578 4.329 1.616 1.00 0.87 C ATOM 443 CD ARG A 30 10.898 5.570 2.218 1.00 0.98 C ATOM 444 NE ARG A 30 11.711 6.162 3.293 1.00 1.71 N ATOM 445 CZ ARG A 30 11.844 5.640 4.525 1.00 2.81 C ATOM 446 NH1 ARG A 30 11.194 4.513 4.843 1.00 3.55 N ATOM 447 NH2 ARG A 30 12.626 6.239 5.430 1.00 3.89 N ATOM 0 H ARG A 30 8.098 3.628 0.684 1.00 0.25 H new ATOM 0 HA ARG A 30 10.338 4.905 -0.544 1.00 0.29 H new ATOM 0 HB2 ARG A 30 9.747 3.208 1.731 1.00 0.51 H new ATOM 0 HB3 ARG A 30 11.009 2.421 0.804 1.00 0.51 H new ATOM 0 HG2 ARG A 30 12.141 3.806 2.389 1.00 0.87 H new ATOM 0 HG3 ARG A 30 12.293 4.635 0.852 1.00 0.87 H new ATOM 0 HD2 ARG A 30 10.732 6.311 1.436 1.00 0.98 H new ATOM 0 HD3 ARG A 30 9.919 5.296 2.610 1.00 0.98 H new ATOM 0 HE ARG A 30 12.208 7.029 3.089 1.00 1.71 H new ATOM 0 HH11 ARG A 30 10.601 4.054 4.152 1.00 3.55 H new ATOM 0 HH12 ARG A 30 11.292 4.114 5.776 1.00 3.55 H new ATOM 0 HH21 ARG A 30 13.124 7.095 5.187 1.00 3.89 H new ATOM 0 HH22 ARG A 30 12.724 5.840 6.363 1.00 3.89 H new ATOM 461 N MET A 31 9.416 2.084 -1.910 1.00 0.25 N ATOM 462 CA MET A 31 9.783 1.042 -2.873 1.00 0.26 C ATOM 463 C MET A 31 10.091 1.626 -4.262 1.00 0.24 C ATOM 464 O MET A 31 9.330 2.449 -4.770 1.00 0.25 O ATOM 465 CB MET A 31 8.694 -0.042 -2.966 1.00 0.31 C ATOM 466 CG MET A 31 8.834 -1.170 -1.933 1.00 0.65 C ATOM 467 SD MET A 31 9.351 -0.731 -0.249 1.00 1.98 S ATOM 468 CE MET A 31 11.015 -1.438 -0.255 1.00 2.52 C ATOM 0 H MET A 31 8.445 2.040 -1.601 1.00 0.25 H new ATOM 0 HA MET A 31 10.696 0.576 -2.503 1.00 0.26 H new ATOM 0 HB2 MET A 31 7.718 0.428 -2.843 1.00 0.31 H new ATOM 0 HB3 MET A 31 8.715 -0.476 -3.966 1.00 0.31 H new ATOM 0 HG2 MET A 31 7.873 -1.680 -1.864 1.00 0.65 H new ATOM 0 HG3 MET A 31 9.551 -1.892 -2.324 1.00 0.65 H new ATOM 0 HE1 MET A 31 11.462 -1.324 0.733 1.00 2.52 H new ATOM 0 HE2 MET A 31 10.960 -2.497 -0.509 1.00 2.52 H new ATOM 0 HE3 MET A 31 11.628 -0.920 -0.993 1.00 2.52 H new ATOM 478 N PRO A 32 11.184 1.184 -4.907 1.00 0.27 N ATOM 479 CA PRO A 32 11.626 1.716 -6.187 1.00 0.29 C ATOM 480 C PRO A 32 10.591 1.386 -7.262 1.00 0.26 C ATOM 481 O PRO A 32 10.535 0.244 -7.696 1.00 0.37 O ATOM 482 CB PRO A 32 12.967 1.022 -6.464 1.00 0.37 C ATOM 483 CG PRO A 32 12.844 -0.312 -5.726 1.00 0.38 C ATOM 484 CD PRO A 32 12.022 0.065 -4.496 1.00 0.33 C ATOM 0 HA PRO A 32 11.739 2.800 -6.183 1.00 0.29 H new ATOM 0 HB2 PRO A 32 13.129 0.875 -7.532 1.00 0.37 H new ATOM 0 HB3 PRO A 32 13.806 1.610 -6.092 1.00 0.37 H new ATOM 0 HG2 PRO A 32 12.344 -1.067 -6.333 1.00 0.38 H new ATOM 0 HG3 PRO A 32 13.819 -0.717 -5.454 1.00 0.38 H new ATOM 0 HD2 PRO A 32 11.415 -0.775 -4.159 1.00 0.33 H new ATOM 0 HD3 PRO A 32 12.668 0.345 -3.664 1.00 0.33 H new ATOM 492 N GLY A 33 9.732 2.335 -7.644 1.00 0.23 N ATOM 493 CA GLY A 33 8.718 2.148 -8.674 1.00 0.18 C ATOM 494 C GLY A 33 7.400 2.777 -8.242 1.00 0.18 C ATOM 495 O GLY A 33 6.522 3.012 -9.068 1.00 0.21 O ATOM 0 H GLY A 33 9.725 3.270 -7.236 1.00 0.23 H new ATOM 0 HA2 GLY A 33 9.053 2.597 -9.609 1.00 0.18 H new ATOM 0 HA3 GLY A 33 8.576 1.084 -8.864 1.00 0.18 H new ATOM 499 N VAL A 34 7.241 3.050 -6.943 1.00 0.18 N ATOM 500 CA VAL A 34 6.130 3.842 -6.451 1.00 0.18 C ATOM 501 C VAL A 34 6.316 5.313 -6.828 1.00 0.18 C ATOM 502 O VAL A 34 7.445 5.773 -6.993 1.00 0.22 O ATOM 503 CB VAL A 34 6.029 3.639 -4.936 1.00 0.21 C ATOM 504 CG1 VAL A 34 7.144 4.409 -4.220 1.00 0.26 C ATOM 505 CG2 VAL A 34 4.647 4.032 -4.401 1.00 0.28 C ATOM 0 H VAL A 34 7.878 2.727 -6.215 1.00 0.18 H new ATOM 0 HA VAL A 34 5.195 3.520 -6.910 1.00 0.18 H new ATOM 0 HB VAL A 34 6.158 2.576 -4.730 1.00 0.21 H new ATOM 0 HG11 VAL A 34 7.059 4.255 -3.144 1.00 0.26 H new ATOM 0 HG12 VAL A 34 8.114 4.048 -4.563 1.00 0.26 H new ATOM 0 HG13 VAL A 34 7.053 5.472 -4.443 1.00 0.26 H new ATOM 0 HG21 VAL A 34 4.616 3.874 -3.323 1.00 0.28 H new ATOM 0 HG22 VAL A 34 4.458 5.083 -4.619 1.00 0.28 H new ATOM 0 HG23 VAL A 34 3.884 3.419 -4.880 1.00 0.28 H new ATOM 515 N THR A 35 5.209 6.050 -6.924 1.00 0.23 N ATOM 516 CA THR A 35 5.231 7.502 -7.088 1.00 0.32 C ATOM 517 C THR A 35 4.592 8.164 -5.876 1.00 0.36 C ATOM 518 O THR A 35 5.221 8.990 -5.217 1.00 0.44 O ATOM 519 CB THR A 35 4.521 7.927 -8.383 1.00 0.39 C ATOM 520 OG1 THR A 35 4.009 6.800 -9.054 1.00 0.37 O ATOM 521 CG2 THR A 35 5.487 8.649 -9.327 1.00 0.45 C ATOM 0 H THR A 35 4.269 5.655 -6.890 1.00 0.23 H new ATOM 0 HA THR A 35 6.268 7.828 -7.164 1.00 0.32 H new ATOM 0 HB THR A 35 3.710 8.600 -8.105 1.00 0.39 H new ATOM 0 HG1 THR A 35 3.812 7.035 -9.985 1.00 0.37 H new ATOM 0 HG21 THR A 35 4.959 8.939 -10.236 1.00 0.45 H new ATOM 0 HG22 THR A 35 5.879 9.539 -8.835 1.00 0.45 H new ATOM 0 HG23 THR A 35 6.311 7.983 -9.583 1.00 0.45 H new ATOM 529 N ASP A 36 3.338 7.808 -5.587 1.00 0.36 N ATOM 530 CA ASP A 36 2.588 8.407 -4.497 1.00 0.37 C ATOM 531 C ASP A 36 1.622 7.380 -3.919 1.00 0.37 C ATOM 532 O ASP A 36 1.279 6.408 -4.588 1.00 0.53 O ATOM 533 CB ASP A 36 1.855 9.674 -4.967 1.00 0.46 C ATOM 534 CG ASP A 36 1.142 10.365 -3.814 1.00 1.26 C ATOM 535 OD1 ASP A 36 1.684 10.263 -2.688 1.00 2.15 O ATOM 536 OD2 ASP A 36 0.054 10.929 -4.048 1.00 2.56 O ATOM 0 H ASP A 36 2.821 7.097 -6.105 1.00 0.36 H new ATOM 0 HA ASP A 36 3.279 8.712 -3.711 1.00 0.37 H new ATOM 0 HB2 ASP A 36 2.569 10.362 -5.420 1.00 0.46 H new ATOM 0 HB3 ASP A 36 1.132 9.412 -5.739 1.00 0.46 H new ATOM 541 N ALA A 37 1.221 7.603 -2.670 1.00 0.34 N ATOM 542 CA ALA A 37 0.345 6.771 -1.868 1.00 0.40 C ATOM 543 C ALA A 37 -0.592 7.675 -1.092 1.00 0.42 C ATOM 544 O ALA A 37 -0.112 8.668 -0.530 1.00 0.65 O ATOM 545 CB ALA A 37 1.161 5.944 -0.883 1.00 0.56 C ATOM 0 H ALA A 37 1.525 8.432 -2.160 1.00 0.34 H new ATOM 0 HA ALA A 37 -0.215 6.098 -2.518 1.00 0.40 H new ATOM 0 HB1 ALA A 37 0.492 5.324 -0.287 1.00 0.56 H new ATOM 0 HB2 ALA A 37 1.855 5.306 -1.431 1.00 0.56 H new ATOM 0 HB3 ALA A 37 1.721 6.609 -0.226 1.00 0.56 H new ATOM 551 N ASN A 38 -1.881 7.313 -1.053 1.00 0.41 N ATOM 552 CA ASN A 38 -2.950 8.088 -0.449 1.00 0.44 C ATOM 553 C ASN A 38 -3.852 7.126 0.318 1.00 0.39 C ATOM 554 O ASN A 38 -4.424 6.191 -0.247 1.00 0.38 O ATOM 555 CB ASN A 38 -3.728 8.870 -1.515 1.00 0.57 C ATOM 556 CG ASN A 38 -2.894 10.035 -2.041 1.00 0.90 C ATOM 557 OD1 ASN A 38 -2.865 11.099 -1.433 1.00 1.70 O ATOM 558 ND2 ASN A 38 -2.190 9.819 -3.148 1.00 1.22 N ATOM 0 H ASN A 38 -2.211 6.437 -1.459 1.00 0.41 H new ATOM 0 HA ASN A 38 -2.541 8.828 0.239 1.00 0.44 H new ATOM 0 HB2 ASN A 38 -3.996 8.207 -2.337 1.00 0.57 H new ATOM 0 HB3 ASN A 38 -4.660 9.245 -1.091 1.00 0.57 H new ATOM 0 HD21 ASN A 38 -1.594 10.556 -3.525 1.00 1.22 H new ATOM 0 HD22 ASN A 38 -2.246 8.917 -3.620 1.00 1.22 H new ATOM 565 N VAL A 39 -3.922 7.332 1.631 1.00 0.43 N ATOM 566 CA VAL A 39 -4.665 6.490 2.549 1.00 0.44 C ATOM 567 C VAL A 39 -6.143 6.905 2.597 1.00 0.39 C ATOM 568 O VAL A 39 -6.448 8.093 2.521 1.00 0.45 O ATOM 569 CB VAL A 39 -3.958 6.560 3.912 1.00 0.64 C ATOM 570 CG1 VAL A 39 -4.183 7.891 4.642 1.00 0.74 C ATOM 571 CG2 VAL A 39 -4.402 5.392 4.782 1.00 0.74 C ATOM 0 H VAL A 39 -3.450 8.110 2.092 1.00 0.43 H new ATOM 0 HA VAL A 39 -4.677 5.451 2.219 1.00 0.44 H new ATOM 0 HB VAL A 39 -2.887 6.495 3.721 1.00 0.64 H new ATOM 0 HG11 VAL A 39 -3.658 7.876 5.597 1.00 0.74 H new ATOM 0 HG12 VAL A 39 -3.802 8.710 4.031 1.00 0.74 H new ATOM 0 HG13 VAL A 39 -5.249 8.034 4.817 1.00 0.74 H new ATOM 0 HG21 VAL A 39 -3.899 5.445 5.747 1.00 0.74 H new ATOM 0 HG22 VAL A 39 -5.481 5.440 4.932 1.00 0.74 H new ATOM 0 HG23 VAL A 39 -4.145 4.454 4.290 1.00 0.74 H new ATOM 581 N ASN A 40 -7.057 5.935 2.738 1.00 0.37 N ATOM 582 CA ASN A 40 -8.493 6.144 2.880 1.00 0.37 C ATOM 583 C ASN A 40 -9.104 5.235 3.944 1.00 0.39 C ATOM 584 O ASN A 40 -9.961 4.392 3.666 1.00 0.37 O ATOM 585 CB ASN A 40 -9.201 5.992 1.527 1.00 0.38 C ATOM 586 CG ASN A 40 -10.633 6.508 1.617 1.00 0.81 C ATOM 587 OD1 ASN A 40 -10.983 7.244 2.534 1.00 1.00 O ATOM 588 ND2 ASN A 40 -11.497 6.046 0.721 1.00 1.25 N ATOM 0 H ASN A 40 -6.800 4.948 2.756 1.00 0.37 H new ATOM 0 HA ASN A 40 -8.644 7.167 3.225 1.00 0.37 H new ATOM 0 HB2 ASN A 40 -8.656 6.543 0.760 1.00 0.38 H new ATOM 0 HB3 ASN A 40 -9.203 4.944 1.226 1.00 0.38 H new ATOM 0 HD21 ASN A 40 -12.482 6.301 0.784 1.00 1.25 H new ATOM 0 HD22 ASN A 40 -11.175 5.436 -0.030 1.00 1.25 H new ATOM 595 N LEU A 41 -8.690 5.432 5.198 1.00 0.46 N ATOM 596 CA LEU A 41 -9.225 4.674 6.324 1.00 0.51 C ATOM 597 C LEU A 41 -10.703 4.963 6.574 1.00 0.58 C ATOM 598 O LEU A 41 -11.382 4.140 7.180 1.00 0.60 O ATOM 599 CB LEU A 41 -8.384 4.888 7.589 1.00 0.66 C ATOM 600 CG LEU A 41 -6.988 4.276 7.413 1.00 0.70 C ATOM 601 CD1 LEU A 41 -6.088 4.518 8.627 1.00 0.97 C ATOM 602 CD2 LEU A 41 -7.071 2.767 7.150 1.00 0.64 C ATOM 0 H LEU A 41 -7.980 6.117 5.457 1.00 0.46 H new ATOM 0 HA LEU A 41 -9.159 3.620 6.055 1.00 0.51 H new ATOM 0 HB2 LEU A 41 -8.297 5.954 7.799 1.00 0.66 H new ATOM 0 HB3 LEU A 41 -8.882 4.434 8.446 1.00 0.66 H new ATOM 0 HG LEU A 41 -6.548 4.776 6.550 1.00 0.70 H new ATOM 0 HD11 LEU A 41 -5.112 4.065 8.452 1.00 0.97 H new ATOM 0 HD12 LEU A 41 -5.968 5.590 8.783 1.00 0.97 H new ATOM 0 HD13 LEU A 41 -6.542 4.071 9.511 1.00 0.97 H new ATOM 0 HD21 LEU A 41 -6.066 2.363 7.030 1.00 0.64 H new ATOM 0 HD22 LEU A 41 -7.561 2.277 7.992 1.00 0.64 H new ATOM 0 HD23 LEU A 41 -7.646 2.587 6.241 1.00 0.64 H new ATOM 614 N ALA A 42 -11.234 6.060 6.026 1.00 0.64 N ATOM 615 CA ALA A 42 -12.674 6.296 6.006 1.00 0.73 C ATOM 616 C ALA A 42 -13.404 5.149 5.300 1.00 0.68 C ATOM 617 O ALA A 42 -14.583 4.914 5.553 1.00 0.81 O ATOM 618 CB ALA A 42 -12.982 7.630 5.321 1.00 0.83 C ATOM 0 H ALA A 42 -10.683 6.799 5.590 1.00 0.64 H new ATOM 0 HA ALA A 42 -13.030 6.341 7.035 1.00 0.73 H new ATOM 0 HB1 ALA A 42 -14.059 7.794 5.312 1.00 0.83 H new ATOM 0 HB2 ALA A 42 -12.496 8.439 5.866 1.00 0.83 H new ATOM 0 HB3 ALA A 42 -12.610 7.607 4.297 1.00 0.83 H new ATOM 624 N THR A 43 -12.701 4.445 4.408 1.00 0.59 N ATOM 625 CA THR A 43 -13.186 3.280 3.691 1.00 0.58 C ATOM 626 C THR A 43 -12.323 2.053 4.037 1.00 0.49 C ATOM 627 O THR A 43 -12.349 1.064 3.310 1.00 0.48 O ATOM 628 CB THR A 43 -13.156 3.643 2.194 1.00 0.61 C ATOM 629 OG1 THR A 43 -13.711 4.937 2.003 1.00 0.75 O ATOM 630 CG2 THR A 43 -13.938 2.677 1.306 1.00 0.65 C ATOM 0 H THR A 43 -11.741 4.687 4.162 1.00 0.59 H new ATOM 0 HA THR A 43 -14.204 3.011 3.973 1.00 0.58 H new ATOM 0 HB THR A 43 -12.107 3.594 1.903 1.00 0.61 H new ATOM 0 HG1 THR A 43 -14.127 4.987 1.117 1.00 0.75 H new ATOM 0 HG21 THR A 43 -13.869 3.000 0.267 1.00 0.65 H new ATOM 0 HG22 THR A 43 -13.520 1.675 1.403 1.00 0.65 H new ATOM 0 HG23 THR A 43 -14.984 2.666 1.613 1.00 0.65 H new ATOM 638 N GLU A 44 -11.534 2.106 5.122 1.00 0.46 N ATOM 639 CA GLU A 44 -10.614 1.045 5.533 1.00 0.42 C ATOM 640 C GLU A 44 -9.749 0.555 4.361 1.00 0.39 C ATOM 641 O GLU A 44 -9.444 -0.632 4.249 1.00 0.43 O ATOM 642 CB GLU A 44 -11.399 -0.090 6.206 1.00 0.45 C ATOM 643 CG GLU A 44 -12.105 0.403 7.476 1.00 0.49 C ATOM 644 CD GLU A 44 -12.995 -0.684 8.061 1.00 1.09 C ATOM 645 OE1 GLU A 44 -12.421 -1.632 8.638 1.00 2.33 O ATOM 646 OE2 GLU A 44 -14.229 -0.551 7.909 1.00 1.98 O ATOM 0 H GLU A 44 -11.521 2.910 5.750 1.00 0.46 H new ATOM 0 HA GLU A 44 -9.915 1.448 6.266 1.00 0.42 H new ATOM 0 HB2 GLU A 44 -12.135 -0.490 5.509 1.00 0.45 H new ATOM 0 HB3 GLU A 44 -10.721 -0.906 6.457 1.00 0.45 H new ATOM 0 HG2 GLU A 44 -11.363 0.707 8.214 1.00 0.49 H new ATOM 0 HG3 GLU A 44 -12.704 1.284 7.245 1.00 0.49 H new ATOM 653 N THR A 45 -9.357 1.479 3.479 1.00 0.37 N ATOM 654 CA THR A 45 -8.752 1.171 2.195 1.00 0.35 C ATOM 655 C THR A 45 -7.603 2.143 1.979 1.00 0.32 C ATOM 656 O THR A 45 -7.572 3.227 2.559 1.00 0.33 O ATOM 657 CB THR A 45 -9.842 1.257 1.105 1.00 0.37 C ATOM 658 OG1 THR A 45 -10.765 0.203 1.280 1.00 0.56 O ATOM 659 CG2 THR A 45 -9.375 1.172 -0.353 1.00 0.31 C ATOM 0 H THR A 45 -9.457 2.480 3.648 1.00 0.37 H new ATOM 0 HA THR A 45 -8.344 0.161 2.155 1.00 0.35 H new ATOM 0 HB THR A 45 -10.257 2.255 1.246 1.00 0.37 H new ATOM 0 HG1 THR A 45 -11.334 0.392 2.055 1.00 0.56 H new ATOM 0 HG21 THR A 45 -10.237 1.245 -1.016 1.00 0.31 H new ATOM 0 HG22 THR A 45 -8.686 1.990 -0.563 1.00 0.31 H new ATOM 0 HG23 THR A 45 -8.870 0.220 -0.518 1.00 0.31 H new ATOM 667 N VAL A 46 -6.631 1.750 1.166 1.00 0.30 N ATOM 668 CA VAL A 46 -5.551 2.630 0.762 1.00 0.29 C ATOM 669 C VAL A 46 -5.307 2.455 -0.729 1.00 0.25 C ATOM 670 O VAL A 46 -5.573 1.376 -1.264 1.00 0.27 O ATOM 671 CB VAL A 46 -4.327 2.345 1.637 1.00 0.39 C ATOM 672 CG1 VAL A 46 -3.940 0.860 1.654 1.00 0.52 C ATOM 673 CG2 VAL A 46 -3.111 3.144 1.186 1.00 0.32 C ATOM 0 H VAL A 46 -6.572 0.812 0.770 1.00 0.30 H new ATOM 0 HA VAL A 46 -5.800 3.680 0.913 1.00 0.29 H new ATOM 0 HB VAL A 46 -4.622 2.647 2.642 1.00 0.39 H new ATOM 0 HG11 VAL A 46 -3.066 0.719 2.290 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -4.771 0.272 2.043 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -3.707 0.533 0.641 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -2.264 2.913 1.832 1.00 0.32 H new ATOM 0 HG22 VAL A 46 -2.864 2.882 0.157 1.00 0.32 H new ATOM 0 HG23 VAL A 46 -3.333 4.209 1.245 1.00 0.32 H new ATOM 683 N ASN A 47 -4.841 3.522 -1.392 1.00 0.22 N ATOM 684 CA ASN A 47 -4.474 3.482 -2.796 1.00 0.22 C ATOM 685 C ASN A 47 -3.054 3.987 -2.982 1.00 0.25 C ATOM 686 O ASN A 47 -2.560 4.787 -2.186 1.00 0.28 O ATOM 687 CB ASN A 47 -5.488 4.243 -3.667 1.00 0.38 C ATOM 688 CG ASN A 47 -5.217 5.743 -3.757 1.00 1.20 C ATOM 689 OD1 ASN A 47 -5.849 6.537 -3.070 1.00 2.72 O ATOM 690 ND2 ASN A 47 -4.308 6.153 -4.642 1.00 0.87 N ATOM 0 H ASN A 47 -4.711 4.436 -0.959 1.00 0.22 H new ATOM 0 HA ASN A 47 -4.502 2.446 -3.133 1.00 0.22 H new ATOM 0 HB2 ASN A 47 -5.480 3.820 -4.672 1.00 0.38 H new ATOM 0 HB3 ASN A 47 -6.489 4.087 -3.264 1.00 0.38 H new ATOM 0 HD21 ASN A 47 -4.124 7.149 -4.760 1.00 0.87 H new ATOM 0 HD22 ASN A 47 -3.796 5.470 -5.201 1.00 0.87 H new ATOM 697 N VAL A 48 -2.407 3.509 -4.043 1.00 0.34 N ATOM 698 CA VAL A 48 -1.021 3.816 -4.336 1.00 0.35 C ATOM 699 C VAL A 48 -0.804 3.740 -5.841 1.00 0.32 C ATOM 700 O VAL A 48 -1.343 2.849 -6.500 1.00 0.30 O ATOM 701 CB VAL A 48 -0.094 2.915 -3.496 1.00 0.35 C ATOM 702 CG1 VAL A 48 -0.337 1.427 -3.756 1.00 0.37 C ATOM 703 CG2 VAL A 48 1.387 3.221 -3.738 1.00 0.37 C ATOM 0 H VAL A 48 -2.842 2.891 -4.728 1.00 0.34 H new ATOM 0 HA VAL A 48 -0.765 4.835 -4.045 1.00 0.35 H new ATOM 0 HB VAL A 48 -0.340 3.139 -2.458 1.00 0.35 H new ATOM 0 HG11 VAL A 48 0.340 0.835 -3.141 1.00 0.37 H new ATOM 0 HG12 VAL A 48 -1.368 1.177 -3.504 1.00 0.37 H new ATOM 0 HG13 VAL A 48 -0.157 1.207 -4.808 1.00 0.37 H new ATOM 0 HG21 VAL A 48 2.000 2.561 -3.124 1.00 0.37 H new ATOM 0 HG22 VAL A 48 1.624 3.062 -4.790 1.00 0.37 H new ATOM 0 HG23 VAL A 48 1.592 4.258 -3.472 1.00 0.37 H new ATOM 713 N ILE A 49 -0.070 4.718 -6.374 1.00 0.35 N ATOM 714 CA ILE A 49 0.259 4.848 -7.780 1.00 0.33 C ATOM 715 C ILE A 49 1.700 4.387 -7.946 1.00 0.35 C ATOM 716 O ILE A 49 2.619 5.027 -7.421 1.00 0.58 O ATOM 717 CB ILE A 49 0.043 6.292 -8.272 1.00 0.38 C ATOM 718 CG1 ILE A 49 -1.359 6.814 -7.901 1.00 0.38 C ATOM 719 CG2 ILE A 49 0.202 6.338 -9.797 1.00 0.46 C ATOM 720 CD1 ILE A 49 -1.301 7.775 -6.712 1.00 1.01 C ATOM 0 H ILE A 49 0.324 5.469 -5.807 1.00 0.35 H new ATOM 0 HA ILE A 49 -0.398 4.231 -8.393 1.00 0.33 H new ATOM 0 HB ILE A 49 0.786 6.926 -7.788 1.00 0.38 H new ATOM 0 HG12 ILE A 49 -1.799 7.321 -8.760 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -2.010 5.973 -7.660 1.00 0.38 H new ATOM 0 HG21 ILE A 49 0.050 7.359 -10.148 1.00 0.46 H new ATOM 0 HG22 ILE A 49 1.204 6.007 -10.068 1.00 0.46 H new ATOM 0 HG23 ILE A 49 -0.535 5.681 -10.260 1.00 0.46 H new ATOM 0 HD11 ILE A 49 -2.306 8.124 -6.477 1.00 1.01 H new ATOM 0 HD12 ILE A 49 -0.885 7.259 -5.847 1.00 1.01 H new ATOM 0 HD13 ILE A 49 -0.671 8.628 -6.964 1.00 1.01 H new ATOM 732 N TYR A 50 1.885 3.279 -8.666 1.00 0.19 N ATOM 733 CA TYR A 50 3.197 2.684 -8.908 1.00 0.18 C ATOM 734 C TYR A 50 3.334 2.228 -10.353 1.00 0.16 C ATOM 735 O TYR A 50 2.343 2.137 -11.083 1.00 0.17 O ATOM 736 CB TYR A 50 3.476 1.509 -7.951 1.00 0.19 C ATOM 737 CG TYR A 50 2.370 0.467 -7.854 1.00 0.22 C ATOM 738 CD1 TYR A 50 2.024 -0.318 -8.974 1.00 1.73 C ATOM 739 CD2 TYR A 50 1.754 0.205 -6.617 1.00 1.90 C ATOM 740 CE1 TYR A 50 1.084 -1.354 -8.857 1.00 1.71 C ATOM 741 CE2 TYR A 50 0.855 -0.871 -6.490 1.00 1.93 C ATOM 742 CZ TYR A 50 0.534 -1.661 -7.604 1.00 0.32 C ATOM 743 OH TYR A 50 -0.170 -2.818 -7.442 1.00 0.38 O ATOM 0 H TYR A 50 1.119 2.765 -9.101 1.00 0.19 H new ATOM 0 HA TYR A 50 3.939 3.459 -8.715 1.00 0.18 H new ATOM 0 HB2 TYR A 50 4.392 1.012 -8.270 1.00 0.19 H new ATOM 0 HB3 TYR A 50 3.662 1.911 -6.955 1.00 0.19 H new ATOM 0 HD1 TYR A 50 2.486 -0.120 -9.930 1.00 1.73 H new ATOM 0 HD2 TYR A 50 1.971 0.830 -5.763 1.00 1.90 H new ATOM 0 HE1 TYR A 50 0.785 -1.914 -9.731 1.00 1.71 H new ATOM 0 HE2 TYR A 50 0.410 -1.089 -5.530 1.00 1.93 H new ATOM 0 HH TYR A 50 -0.370 -2.949 -6.492 1.00 0.38 H new ATOM 753 N ASP A 51 4.574 1.919 -10.738 1.00 0.17 N ATOM 754 CA ASP A 51 4.931 1.476 -12.064 1.00 0.18 C ATOM 755 C ASP A 51 5.156 -0.038 -12.084 1.00 0.19 C ATOM 756 O ASP A 51 6.125 -0.502 -11.480 1.00 0.20 O ATOM 757 CB ASP A 51 6.189 2.221 -12.495 1.00 0.22 C ATOM 758 CG ASP A 51 6.447 1.923 -13.961 1.00 0.31 C ATOM 759 OD1 ASP A 51 6.728 0.736 -14.230 1.00 1.31 O ATOM 760 OD2 ASP A 51 6.294 2.851 -14.783 1.00 1.29 O ATOM 0 H ASP A 51 5.374 1.976 -10.107 1.00 0.17 H new ATOM 0 HA ASP A 51 4.121 1.692 -12.760 1.00 0.18 H new ATOM 0 HB2 ASP A 51 6.065 3.293 -12.343 1.00 0.22 H new ATOM 0 HB3 ASP A 51 7.040 1.909 -11.890 1.00 0.22 H new ATOM 765 N PRO A 52 4.315 -0.819 -12.786 1.00 0.27 N ATOM 766 CA PRO A 52 4.412 -2.270 -12.828 1.00 0.33 C ATOM 767 C PRO A 52 5.563 -2.786 -13.698 1.00 0.38 C ATOM 768 O PRO A 52 5.564 -3.967 -14.042 1.00 0.54 O ATOM 769 CB PRO A 52 3.039 -2.738 -13.323 1.00 0.51 C ATOM 770 CG PRO A 52 2.617 -1.608 -14.260 1.00 0.56 C ATOM 771 CD PRO A 52 3.182 -0.365 -13.575 1.00 0.38 C ATOM 0 HA PRO A 52 4.653 -2.675 -11.845 1.00 0.33 H new ATOM 0 HB2 PRO A 52 3.100 -3.694 -13.843 1.00 0.51 H new ATOM 0 HB3 PRO A 52 2.335 -2.867 -12.501 1.00 0.51 H new ATOM 0 HG2 PRO A 52 3.028 -1.739 -15.261 1.00 0.56 H new ATOM 0 HG3 PRO A 52 1.533 -1.554 -14.365 1.00 0.56 H new ATOM 0 HD2 PRO A 52 3.492 0.378 -14.310 1.00 0.38 H new ATOM 0 HD3 PRO A 52 2.430 0.107 -12.942 1.00 0.38 H new ATOM 779 N ALA A 53 6.559 -1.956 -14.028 1.00 0.33 N ATOM 780 CA ALA A 53 7.789 -2.447 -14.641 1.00 0.42 C ATOM 781 C ALA A 53 8.701 -2.934 -13.521 1.00 0.38 C ATOM 782 O ALA A 53 9.181 -4.065 -13.534 1.00 0.52 O ATOM 783 CB ALA A 53 8.462 -1.353 -15.476 1.00 0.49 C ATOM 0 H ALA A 53 6.534 -0.947 -13.880 1.00 0.33 H new ATOM 0 HA ALA A 53 7.570 -3.267 -15.325 1.00 0.42 H new ATOM 0 HB1 ALA A 53 9.376 -1.746 -15.921 1.00 0.49 H new ATOM 0 HB2 ALA A 53 7.784 -1.029 -16.265 1.00 0.49 H new ATOM 0 HB3 ALA A 53 8.706 -0.505 -14.836 1.00 0.49 H new ATOM 789 N GLU A 54 8.903 -2.063 -12.531 1.00 0.27 N ATOM 790 CA GLU A 54 9.606 -2.374 -11.300 1.00 0.29 C ATOM 791 C GLU A 54 8.668 -3.085 -10.318 1.00 0.38 C ATOM 792 O GLU A 54 9.045 -4.063 -9.672 1.00 0.57 O ATOM 793 CB GLU A 54 10.113 -1.054 -10.698 1.00 0.31 C ATOM 794 CG GLU A 54 11.248 -0.432 -11.521 1.00 0.37 C ATOM 795 CD GLU A 54 11.984 0.641 -10.723 1.00 1.61 C ATOM 796 OE1 GLU A 54 11.423 1.752 -10.608 1.00 2.95 O ATOM 797 OE2 GLU A 54 13.098 0.330 -10.245 1.00 2.32 O ATOM 0 H GLU A 54 8.571 -1.099 -12.571 1.00 0.27 H new ATOM 0 HA GLU A 54 10.444 -3.041 -11.501 1.00 0.29 H new ATOM 0 HB2 GLU A 54 9.286 -0.347 -10.632 1.00 0.31 H new ATOM 0 HB3 GLU A 54 10.461 -1.232 -9.681 1.00 0.31 H new ATOM 0 HG2 GLU A 54 11.950 -1.209 -11.824 1.00 0.37 H new ATOM 0 HG3 GLU A 54 10.842 0.004 -12.434 1.00 0.37 H new ATOM 804 N THR A 55 7.461 -2.537 -10.175 1.00 0.35 N ATOM 805 CA THR A 55 6.733 -2.481 -8.918 1.00 0.20 C ATOM 806 C THR A 55 5.231 -2.674 -8.949 1.00 0.30 C ATOM 807 O THR A 55 4.493 -1.950 -9.607 1.00 0.52 O ATOM 808 CB THR A 55 7.097 -1.175 -8.249 1.00 0.36 C ATOM 809 OG1 THR A 55 8.483 -1.302 -8.043 1.00 0.67 O ATOM 810 CG2 THR A 55 6.535 -0.999 -6.855 1.00 0.51 C ATOM 0 H THR A 55 6.955 -2.111 -10.951 1.00 0.35 H new ATOM 0 HA THR A 55 7.049 -3.362 -8.359 1.00 0.20 H new ATOM 0 HB THR A 55 6.731 -0.352 -8.863 1.00 0.36 H new ATOM 0 HG1 THR A 55 8.825 -0.493 -7.608 1.00 0.67 H new ATOM 0 HG21 THR A 55 6.848 -0.034 -6.456 1.00 0.51 H new ATOM 0 HG22 THR A 55 5.446 -1.040 -6.894 1.00 0.51 H new ATOM 0 HG23 THR A 55 6.905 -1.796 -6.210 1.00 0.51 H new ATOM 818 N GLY A 56 4.769 -3.576 -8.087 1.00 0.32 N ATOM 819 CA GLY A 56 3.383 -3.629 -7.702 1.00 0.55 C ATOM 820 C GLY A 56 3.195 -4.626 -6.568 1.00 0.34 C ATOM 821 O GLY A 56 4.149 -5.010 -5.886 1.00 0.23 O ATOM 0 H GLY A 56 5.353 -4.285 -7.643 1.00 0.32 H new ATOM 0 HA2 GLY A 56 3.046 -2.641 -7.388 1.00 0.55 H new ATOM 0 HA3 GLY A 56 2.771 -3.918 -8.556 1.00 0.55 H new ATOM 825 N THR A 57 1.941 -5.043 -6.424 1.00 0.34 N ATOM 826 CA THR A 57 1.391 -6.021 -5.499 1.00 0.25 C ATOM 827 C THR A 57 2.401 -7.109 -5.110 1.00 0.21 C ATOM 828 O THR A 57 2.595 -7.362 -3.924 1.00 0.25 O ATOM 829 CB THR A 57 0.062 -6.549 -6.075 1.00 0.30 C ATOM 830 OG1 THR A 57 -0.389 -7.682 -5.375 1.00 0.56 O ATOM 831 CG2 THR A 57 0.073 -6.855 -7.578 1.00 0.38 C ATOM 0 H THR A 57 1.207 -4.660 -7.020 1.00 0.34 H new ATOM 0 HA THR A 57 1.171 -5.543 -4.545 1.00 0.25 H new ATOM 0 HB THR A 57 -0.627 -5.716 -5.939 1.00 0.30 H new ATOM 0 HG1 THR A 57 -1.234 -7.992 -5.763 1.00 0.56 H new ATOM 0 HG21 THR A 57 -0.908 -7.220 -7.882 1.00 0.38 H new ATOM 0 HG22 THR A 57 0.310 -5.947 -8.132 1.00 0.38 H new ATOM 0 HG23 THR A 57 0.824 -7.616 -7.789 1.00 0.38 H new ATOM 839 N ALA A 58 3.080 -7.714 -6.090 1.00 0.22 N ATOM 840 CA ALA A 58 4.117 -8.715 -5.859 1.00 0.23 C ATOM 841 C ALA A 58 5.120 -8.280 -4.781 1.00 0.23 C ATOM 842 O ALA A 58 5.352 -8.999 -3.812 1.00 0.31 O ATOM 843 CB ALA A 58 4.842 -8.997 -7.178 1.00 0.27 C ATOM 0 H ALA A 58 2.920 -7.517 -7.078 1.00 0.22 H new ATOM 0 HA ALA A 58 3.636 -9.622 -5.492 1.00 0.23 H new ATOM 0 HB1 ALA A 58 5.619 -9.744 -7.014 1.00 0.27 H new ATOM 0 HB2 ALA A 58 4.129 -9.370 -7.913 1.00 0.27 H new ATOM 0 HB3 ALA A 58 5.296 -8.077 -7.548 1.00 0.27 H new ATOM 849 N ALA A 59 5.743 -7.113 -4.971 1.00 0.19 N ATOM 850 CA ALA A 59 6.708 -6.575 -4.020 1.00 0.19 C ATOM 851 C ALA A 59 5.975 -6.064 -2.790 1.00 0.23 C ATOM 852 O ALA A 59 6.454 -6.150 -1.659 1.00 0.26 O ATOM 853 CB ALA A 59 7.521 -5.458 -4.682 1.00 0.22 C ATOM 0 H ALA A 59 5.590 -6.520 -5.787 1.00 0.19 H new ATOM 0 HA ALA A 59 7.399 -7.359 -3.710 1.00 0.19 H new ATOM 0 HB1 ALA A 59 8.241 -5.059 -3.967 1.00 0.22 H new ATOM 0 HB2 ALA A 59 8.051 -5.857 -5.547 1.00 0.22 H new ATOM 0 HB3 ALA A 59 6.850 -4.662 -5.004 1.00 0.22 H new ATOM 859 N ILE A 60 4.814 -5.467 -3.050 1.00 0.23 N ATOM 860 CA ILE A 60 4.083 -4.722 -2.062 1.00 0.22 C ATOM 861 C ILE A 60 3.646 -5.644 -0.932 1.00 0.21 C ATOM 862 O ILE A 60 4.047 -5.394 0.198 1.00 0.24 O ATOM 863 CB ILE A 60 3.006 -3.877 -2.772 1.00 0.24 C ATOM 864 CG1 ILE A 60 3.623 -2.491 -2.991 1.00 0.33 C ATOM 865 CG2 ILE A 60 1.664 -3.804 -2.035 1.00 0.27 C ATOM 866 CD1 ILE A 60 2.908 -1.642 -4.040 1.00 0.67 C ATOM 0 H ILE A 60 4.362 -5.495 -3.964 1.00 0.23 H new ATOM 0 HA ILE A 60 4.694 -3.984 -1.542 1.00 0.22 H new ATOM 0 HB ILE A 60 2.740 -4.354 -3.715 1.00 0.24 H new ATOM 0 HG12 ILE A 60 3.623 -1.952 -2.043 1.00 0.33 H new ATOM 0 HG13 ILE A 60 4.665 -2.613 -3.288 1.00 0.33 H new ATOM 0 HG21 ILE A 60 0.968 -3.190 -2.606 1.00 0.27 H new ATOM 0 HG22 ILE A 60 1.255 -4.808 -1.924 1.00 0.27 H new ATOM 0 HG23 ILE A 60 1.813 -3.362 -1.050 1.00 0.27 H new ATOM 0 HD11 ILE A 60 3.409 -0.678 -4.132 1.00 0.67 H new ATOM 0 HD12 ILE A 60 2.931 -2.156 -5.001 1.00 0.67 H new ATOM 0 HD13 ILE A 60 1.873 -1.485 -3.737 1.00 0.67 H new ATOM 878 N GLN A 61 2.908 -6.725 -1.204 1.00 0.21 N ATOM 879 CA GLN A 61 2.499 -7.681 -0.171 1.00 0.22 C ATOM 880 C GLN A 61 3.692 -8.062 0.705 1.00 0.22 C ATOM 881 O GLN A 61 3.637 -7.944 1.927 1.00 0.21 O ATOM 882 CB GLN A 61 1.941 -8.966 -0.794 1.00 0.25 C ATOM 883 CG GLN A 61 0.416 -9.081 -0.849 1.00 0.34 C ATOM 884 CD GLN A 61 -0.220 -8.346 -2.014 1.00 0.40 C ATOM 885 OE1 GLN A 61 0.048 -7.055 -2.131 1.00 0.77 O flip ATOM 886 NE2 GLN A 61 -0.958 -8.935 -2.795 1.00 0.34 N flip ATOM 0 H GLN A 61 2.579 -6.961 -2.140 1.00 0.21 H new ATOM 0 HA GLN A 61 1.726 -7.198 0.427 1.00 0.22 H new ATOM 0 HB2 GLN A 61 2.328 -9.051 -1.809 1.00 0.25 H new ATOM 0 HB3 GLN A 61 2.329 -9.816 -0.233 1.00 0.25 H new ATOM 0 HG2 GLN A 61 0.144 -10.135 -0.906 1.00 0.34 H new ATOM 0 HG3 GLN A 61 -0.000 -8.694 0.081 1.00 0.34 H new ATOM 0 HE21 GLN A 61 -1.140 -9.931 -2.672 1.00 0.34 H new ATOM 0 HE22 GLN A 61 -1.390 -8.429 -3.568 1.00 0.34 H new ATOM 895 N GLU A 62 4.769 -8.507 0.054 1.00 0.25 N ATOM 896 CA GLU A 62 6.035 -8.824 0.690 1.00 0.26 C ATOM 897 C GLU A 62 6.424 -7.796 1.747 1.00 0.25 C ATOM 898 O GLU A 62 6.732 -8.130 2.897 1.00 0.29 O ATOM 899 CB GLU A 62 7.119 -8.943 -0.403 1.00 0.27 C ATOM 900 CG GLU A 62 8.021 -10.161 -0.219 1.00 0.37 C ATOM 901 CD GLU A 62 8.800 -10.027 1.080 1.00 1.14 C ATOM 902 OE1 GLU A 62 9.433 -8.964 1.292 1.00 2.04 O ATOM 903 OE2 GLU A 62 8.653 -10.900 1.964 1.00 2.44 O ATOM 0 H GLU A 62 4.778 -8.658 -0.955 1.00 0.25 H new ATOM 0 HA GLU A 62 5.936 -9.773 1.217 1.00 0.26 H new ATOM 0 HB2 GLU A 62 6.638 -8.998 -1.380 1.00 0.27 H new ATOM 0 HB3 GLU A 62 7.731 -8.041 -0.400 1.00 0.27 H new ATOM 0 HG2 GLU A 62 7.421 -11.071 -0.203 1.00 0.37 H new ATOM 0 HG3 GLU A 62 8.709 -10.247 -1.060 1.00 0.37 H new ATOM 910 N LYS A 63 6.452 -6.528 1.346 1.00 0.25 N ATOM 911 CA LYS A 63 6.833 -5.487 2.259 1.00 0.24 C ATOM 912 C LYS A 63 5.737 -5.249 3.299 1.00 0.21 C ATOM 913 O LYS A 63 6.071 -5.103 4.468 1.00 0.21 O ATOM 914 CB LYS A 63 7.285 -4.253 1.477 1.00 0.27 C ATOM 915 CG LYS A 63 8.809 -4.097 1.606 1.00 0.41 C ATOM 916 CD LYS A 63 9.545 -5.234 0.865 1.00 0.55 C ATOM 917 CE LYS A 63 10.744 -5.795 1.642 1.00 0.87 C ATOM 918 NZ LYS A 63 11.838 -4.813 1.785 1.00 1.84 N ATOM 0 H LYS A 63 6.217 -6.212 0.405 1.00 0.25 H new ATOM 0 HA LYS A 63 7.699 -5.787 2.849 1.00 0.24 H new ATOM 0 HB2 LYS A 63 7.006 -4.351 0.428 1.00 0.27 H new ATOM 0 HB3 LYS A 63 6.784 -3.363 1.858 1.00 0.27 H new ATOM 0 HG2 LYS A 63 9.116 -3.134 1.198 1.00 0.41 H new ATOM 0 HG3 LYS A 63 9.091 -4.102 2.659 1.00 0.41 H new ATOM 0 HD2 LYS A 63 8.841 -6.042 0.665 1.00 0.55 H new ATOM 0 HD3 LYS A 63 9.889 -4.865 -0.101 1.00 0.55 H new ATOM 0 HE2 LYS A 63 10.415 -6.113 2.631 1.00 0.87 H new ATOM 0 HE3 LYS A 63 11.121 -6.681 1.131 1.00 0.87 H new ATOM 0 HZ1 LYS A 63 12.622 -5.242 2.317 1.00 1.84 H new ATOM 0 HZ2 LYS A 63 12.174 -4.528 0.843 1.00 1.84 H new ATOM 0 HZ3 LYS A 63 11.490 -3.977 2.296 1.00 1.84 H new ATOM 932 N ILE A 64 4.453 -5.247 2.925 1.00 0.22 N ATOM 933 CA ILE A 64 3.355 -5.058 3.859 1.00 0.25 C ATOM 934 C ILE A 64 3.460 -6.069 5.015 1.00 0.25 C ATOM 935 O ILE A 64 3.368 -5.695 6.187 1.00 0.30 O ATOM 936 CB ILE A 64 1.992 -5.186 3.155 1.00 0.31 C ATOM 937 CG1 ILE A 64 1.696 -4.125 2.092 1.00 0.35 C ATOM 938 CG2 ILE A 64 0.905 -5.105 4.228 1.00 0.36 C ATOM 939 CD1 ILE A 64 1.670 -2.721 2.671 1.00 0.40 C ATOM 0 H ILE A 64 4.152 -5.378 1.959 1.00 0.22 H new ATOM 0 HA ILE A 64 3.427 -4.048 4.264 1.00 0.25 H new ATOM 0 HB ILE A 64 2.013 -6.137 2.622 1.00 0.31 H new ATOM 0 HG12 ILE A 64 2.452 -4.178 1.308 1.00 0.35 H new ATOM 0 HG13 ILE A 64 0.735 -4.341 1.624 1.00 0.35 H new ATOM 0 HG21 ILE A 64 -0.075 -5.193 3.760 1.00 0.36 H new ATOM 0 HG22 ILE A 64 1.039 -5.916 4.944 1.00 0.36 H new ATOM 0 HG23 ILE A 64 0.976 -4.148 4.746 1.00 0.36 H new ATOM 0 HD11 ILE A 64 1.456 -2.004 1.878 1.00 0.40 H new ATOM 0 HD12 ILE A 64 0.896 -2.657 3.436 1.00 0.40 H new ATOM 0 HD13 ILE A 64 2.639 -2.493 3.115 1.00 0.40 H new ATOM 951 N GLU A 65 3.703 -7.344 4.687 1.00 0.23 N ATOM 952 CA GLU A 65 3.951 -8.375 5.685 1.00 0.25 C ATOM 953 C GLU A 65 5.055 -7.918 6.646 1.00 0.30 C ATOM 954 O GLU A 65 4.941 -8.055 7.861 1.00 0.44 O ATOM 955 CB GLU A 65 4.316 -9.677 4.960 1.00 0.23 C ATOM 956 CG GLU A 65 3.073 -10.409 4.430 1.00 0.21 C ATOM 957 CD GLU A 65 2.413 -11.278 5.498 1.00 0.30 C ATOM 958 OE1 GLU A 65 3.145 -12.113 6.072 1.00 1.36 O ATOM 959 OE2 GLU A 65 1.192 -11.105 5.707 1.00 1.54 O ATOM 0 H GLU A 65 3.732 -7.682 3.725 1.00 0.23 H new ATOM 0 HA GLU A 65 3.059 -8.553 6.286 1.00 0.25 H new ATOM 0 HB2 GLU A 65 4.987 -9.454 4.130 1.00 0.23 H new ATOM 0 HB3 GLU A 65 4.859 -10.332 5.642 1.00 0.23 H new ATOM 0 HG2 GLU A 65 2.352 -9.678 4.063 1.00 0.21 H new ATOM 0 HG3 GLU A 65 3.355 -11.032 3.581 1.00 0.21 H new ATOM 966 N LYS A 66 6.119 -7.320 6.105 1.00 0.25 N ATOM 967 CA LYS A 66 7.252 -6.840 6.879 1.00 0.31 C ATOM 968 C LYS A 66 6.898 -5.610 7.720 1.00 0.30 C ATOM 969 O LYS A 66 7.378 -5.484 8.843 1.00 0.37 O ATOM 970 CB LYS A 66 8.424 -6.547 5.937 1.00 0.38 C ATOM 971 CG LYS A 66 9.705 -7.229 6.430 1.00 0.73 C ATOM 972 CD LYS A 66 9.716 -8.758 6.231 1.00 1.65 C ATOM 973 CE LYS A 66 10.083 -9.192 4.801 1.00 2.58 C ATOM 974 NZ LYS A 66 8.951 -9.217 3.854 1.00 4.55 N ATOM 0 H LYS A 66 6.213 -7.156 5.103 1.00 0.25 H new ATOM 0 HA LYS A 66 7.541 -7.621 7.582 1.00 0.31 H new ATOM 0 HB2 LYS A 66 8.185 -6.896 4.933 1.00 0.38 H new ATOM 0 HB3 LYS A 66 8.582 -5.471 5.871 1.00 0.38 H new ATOM 0 HG2 LYS A 66 10.559 -6.798 5.907 1.00 0.73 H new ATOM 0 HG3 LYS A 66 9.837 -7.010 7.489 1.00 0.73 H new ATOM 0 HD2 LYS A 66 10.426 -9.201 6.929 1.00 1.65 H new ATOM 0 HD3 LYS A 66 8.732 -9.155 6.481 1.00 1.65 H new ATOM 0 HE2 LYS A 66 10.847 -8.516 4.416 1.00 2.58 H new ATOM 0 HE3 LYS A 66 10.528 -10.186 4.841 1.00 2.58 H new ATOM 0 HZ1 LYS A 66 8.811 -10.187 3.506 1.00 4.55 H new ATOM 0 HZ2 LYS A 66 8.088 -8.894 4.336 1.00 4.55 H new ATOM 0 HZ3 LYS A 66 9.156 -8.588 3.052 1.00 4.55 H new ATOM 988 N LEU A 67 6.062 -4.708 7.193 1.00 0.25 N ATOM 989 CA LEU A 67 5.465 -3.632 7.965 1.00 0.29 C ATOM 990 C LEU A 67 4.700 -4.190 9.174 1.00 0.33 C ATOM 991 O LEU A 67 4.460 -3.454 10.129 1.00 0.34 O ATOM 992 CB LEU A 67 4.550 -2.783 7.059 1.00 0.27 C ATOM 993 CG LEU A 67 5.236 -1.660 6.270 1.00 0.32 C ATOM 994 CD1 LEU A 67 5.852 -0.611 7.199 1.00 0.89 C ATOM 995 CD2 LEU A 67 6.268 -2.123 5.239 1.00 0.58 C ATOM 0 H LEU A 67 5.784 -4.711 6.212 1.00 0.25 H new ATOM 0 HA LEU A 67 6.256 -2.989 8.350 1.00 0.29 H new ATOM 0 HB2 LEU A 67 4.056 -3.448 6.350 1.00 0.27 H new ATOM 0 HB3 LEU A 67 3.770 -2.340 7.678 1.00 0.27 H new ATOM 0 HG LEU A 67 4.426 -1.211 5.695 1.00 0.32 H new ATOM 0 HD11 LEU A 67 6.328 0.168 6.603 1.00 0.89 H new ATOM 0 HD12 LEU A 67 5.071 -0.168 7.817 1.00 0.89 H new ATOM 0 HD13 LEU A 67 6.596 -1.084 7.839 1.00 0.89 H new ATOM 0 HD21 LEU A 67 6.695 -1.255 4.736 1.00 0.58 H new ATOM 0 HD22 LEU A 67 7.061 -2.677 5.741 1.00 0.58 H new ATOM 0 HD23 LEU A 67 5.785 -2.767 4.504 1.00 0.58 H new ATOM 1007 N GLY A 68 4.330 -5.475 9.148 1.00 0.38 N ATOM 1008 CA GLY A 68 3.695 -6.158 10.259 1.00 0.40 C ATOM 1009 C GLY A 68 2.181 -6.103 10.120 1.00 0.36 C ATOM 1010 O GLY A 68 1.472 -6.136 11.123 1.00 0.43 O ATOM 0 H GLY A 68 4.470 -6.073 8.334 1.00 0.38 H new ATOM 0 HA2 GLY A 68 4.026 -7.196 10.293 1.00 0.40 H new ATOM 0 HA3 GLY A 68 3.997 -5.696 11.199 1.00 0.40 H new ATOM 1014 N TYR A 69 1.684 -6.012 8.881 1.00 0.31 N ATOM 1015 CA TYR A 69 0.256 -6.036 8.600 1.00 0.35 C ATOM 1016 C TYR A 69 0.021 -6.946 7.405 1.00 0.33 C ATOM 1017 O TYR A 69 0.968 -7.334 6.732 1.00 0.31 O ATOM 1018 CB TYR A 69 -0.254 -4.619 8.319 1.00 0.36 C ATOM 1019 CG TYR A 69 -0.037 -3.652 9.463 1.00 0.38 C ATOM 1020 CD1 TYR A 69 1.221 -3.052 9.626 1.00 2.00 C ATOM 1021 CD2 TYR A 69 -1.097 -3.292 10.315 1.00 1.91 C ATOM 1022 CE1 TYR A 69 1.420 -2.084 10.619 1.00 2.00 C ATOM 1023 CE2 TYR A 69 -0.914 -2.279 11.273 1.00 1.92 C ATOM 1024 CZ TYR A 69 0.346 -1.672 11.424 1.00 0.44 C ATOM 1025 OH TYR A 69 0.512 -0.641 12.301 1.00 0.52 O ATOM 0 H TYR A 69 2.267 -5.920 8.049 1.00 0.31 H new ATOM 0 HA TYR A 69 -0.292 -6.417 9.462 1.00 0.35 H new ATOM 0 HB2 TYR A 69 0.245 -4.233 7.430 1.00 0.36 H new ATOM 0 HB3 TYR A 69 -1.319 -4.665 8.092 1.00 0.36 H new ATOM 0 HD1 TYR A 69 2.040 -3.338 8.983 1.00 2.00 H new ATOM 0 HD2 TYR A 69 -2.050 -3.793 10.233 1.00 1.91 H new ATOM 0 HE1 TYR A 69 2.400 -1.654 10.765 1.00 2.00 H new ATOM 0 HE2 TYR A 69 -1.741 -1.967 11.893 1.00 1.92 H new ATOM 0 HH TYR A 69 -0.328 -0.481 12.780 1.00 0.52 H new ATOM 1035 N HIS A 70 -1.243 -7.261 7.134 1.00 0.38 N ATOM 1036 CA HIS A 70 -1.663 -8.047 5.996 1.00 0.38 C ATOM 1037 C HIS A 70 -2.636 -7.206 5.174 1.00 0.36 C ATOM 1038 O HIS A 70 -3.638 -6.702 5.691 1.00 0.39 O ATOM 1039 CB HIS A 70 -2.246 -9.408 6.415 1.00 0.50 C ATOM 1040 CG HIS A 70 -2.621 -9.635 7.863 1.00 1.95 C ATOM 1041 ND1 HIS A 70 -3.281 -8.775 8.698 1.00 3.51 N flip ATOM 1042 CD2 HIS A 70 -2.484 -10.829 8.536 1.00 2.64 C flip ATOM 1043 CE1 HIS A 70 -3.544 -9.444 9.896 1.00 4.52 C flip ATOM 1044 NE2 HIS A 70 -3.043 -10.681 9.750 1.00 4.00 N flip ATOM 0 H HIS A 70 -2.021 -6.963 7.723 1.00 0.38 H new ATOM 0 HA HIS A 70 -0.801 -8.297 5.377 1.00 0.38 H new ATOM 0 HB2 HIS A 70 -3.138 -9.582 5.814 1.00 0.50 H new ATOM 0 HB3 HIS A 70 -1.521 -10.174 6.140 1.00 0.50 H new ATOM 0 HD2 HIS A 70 -2.012 -11.723 8.157 1.00 2.64 H new ATOM 0 HE1 HIS A 70 -4.048 -9.046 10.764 1.00 4.52 H new ATOM 0 HE2 HIS A 70 -3.081 -11.409 10.463 1.00 4.00 H new ATOM 1052 N VAL A 71 -2.300 -7.033 3.896 1.00 0.36 N ATOM 1053 CA VAL A 71 -3.134 -6.378 2.893 1.00 0.34 C ATOM 1054 C VAL A 71 -3.999 -7.419 2.182 1.00 0.38 C ATOM 1055 O VAL A 71 -3.608 -8.582 2.100 1.00 0.55 O ATOM 1056 CB VAL A 71 -2.264 -5.568 1.916 1.00 0.37 C ATOM 1057 CG1 VAL A 71 -1.429 -6.449 0.984 1.00 0.50 C ATOM 1058 CG2 VAL A 71 -3.084 -4.591 1.076 1.00 0.42 C ATOM 0 H VAL A 71 -1.409 -7.357 3.519 1.00 0.36 H new ATOM 0 HA VAL A 71 -3.805 -5.669 3.378 1.00 0.34 H new ATOM 0 HB VAL A 71 -1.585 -5.004 2.555 1.00 0.37 H new ATOM 0 HG11 VAL A 71 -0.838 -5.818 0.320 1.00 0.50 H new ATOM 0 HG12 VAL A 71 -0.763 -7.077 1.576 1.00 0.50 H new ATOM 0 HG13 VAL A 71 -2.090 -7.081 0.391 1.00 0.50 H new ATOM 0 HG21 VAL A 71 -2.422 -4.045 0.404 1.00 0.42 H new ATOM 0 HG22 VAL A 71 -3.820 -5.143 0.491 1.00 0.42 H new ATOM 0 HG23 VAL A 71 -3.596 -3.887 1.733 1.00 0.42 H new ATOM 1068 N VAL A 72 -5.159 -7.004 1.663 1.00 0.34 N ATOM 1069 CA VAL A 72 -6.060 -7.886 0.928 1.00 0.44 C ATOM 1070 C VAL A 72 -6.376 -7.293 -0.446 1.00 0.59 C ATOM 1071 O VAL A 72 -7.167 -6.360 -0.561 1.00 1.26 O ATOM 1072 CB VAL A 72 -7.331 -8.174 1.746 1.00 0.66 C ATOM 1073 CG1 VAL A 72 -7.097 -9.325 2.720 1.00 0.82 C ATOM 1074 CG2 VAL A 72 -7.821 -6.973 2.558 1.00 1.01 C ATOM 0 H VAL A 72 -5.497 -6.045 1.743 1.00 0.34 H new ATOM 0 HA VAL A 72 -5.566 -8.844 0.765 1.00 0.44 H new ATOM 0 HB VAL A 72 -8.093 -8.426 1.009 1.00 0.66 H new ATOM 0 HG11 VAL A 72 -8.008 -9.512 3.288 1.00 0.82 H new ATOM 0 HG12 VAL A 72 -6.825 -10.222 2.164 1.00 0.82 H new ATOM 0 HG13 VAL A 72 -6.290 -9.064 3.404 1.00 0.82 H new ATOM 0 HG21 VAL A 72 -8.720 -7.249 3.109 1.00 1.01 H new ATOM 0 HG22 VAL A 72 -7.045 -6.667 3.259 1.00 1.01 H new ATOM 0 HG23 VAL A 72 -8.048 -6.147 1.884 1.00 1.01 H new ATOM 1084 N ILE A 73 -5.763 -7.841 -1.497 1.00 0.78 N ATOM 1085 CA ILE A 73 -5.990 -7.433 -2.877 1.00 0.82 C ATOM 1086 C ILE A 73 -6.799 -8.523 -3.580 1.00 1.06 C ATOM 1087 O ILE A 73 -6.230 -9.461 -4.132 1.00 1.67 O ATOM 1088 CB ILE A 73 -4.653 -7.146 -3.584 1.00 1.51 C ATOM 1089 CG1 ILE A 73 -3.790 -6.229 -2.702 1.00 1.91 C ATOM 1090 CG2 ILE A 73 -4.931 -6.511 -4.956 1.00 1.68 C ATOM 1091 CD1 ILE A 73 -2.581 -5.667 -3.441 1.00 1.39 C ATOM 0 H ILE A 73 -5.082 -8.595 -1.407 1.00 0.78 H new ATOM 0 HA ILE A 73 -6.560 -6.504 -2.909 1.00 0.82 H new ATOM 0 HB ILE A 73 -4.103 -8.074 -3.742 1.00 1.51 H new ATOM 0 HG12 ILE A 73 -4.401 -5.405 -2.335 1.00 1.91 H new ATOM 0 HG13 ILE A 73 -3.450 -6.787 -1.829 1.00 1.91 H new ATOM 0 HG21 ILE A 73 -3.987 -6.306 -5.460 1.00 1.68 H new ATOM 0 HG22 ILE A 73 -5.524 -7.197 -5.561 1.00 1.68 H new ATOM 0 HG23 ILE A 73 -5.480 -5.579 -4.821 1.00 1.68 H new ATOM 0 HD11 ILE A 73 -2.009 -5.027 -2.769 1.00 1.39 H new ATOM 0 HD12 ILE A 73 -1.951 -6.487 -3.785 1.00 1.39 H new ATOM 0 HD13 ILE A 73 -2.917 -5.084 -4.298 1.00 1.39 H new ATOM 1103 N GLU A 74 -8.125 -8.391 -3.547 1.00 1.10 N ATOM 1104 CA GLU A 74 -9.059 -9.239 -4.268 1.00 1.77 C ATOM 1105 C GLU A 74 -10.257 -8.342 -4.579 1.00 1.52 C ATOM 1106 O GLU A 74 -10.872 -7.827 -3.646 1.00 2.18 O ATOM 1107 CB GLU A 74 -9.434 -10.436 -3.376 1.00 2.97 C ATOM 1108 CG GLU A 74 -10.298 -11.487 -4.087 1.00 3.73 C ATOM 1109 CD GLU A 74 -9.514 -12.240 -5.154 1.00 5.71 C ATOM 1110 OE1 GLU A 74 -9.501 -11.738 -6.298 1.00 6.67 O ATOM 1111 OE2 GLU A 74 -8.945 -13.294 -4.799 1.00 6.86 O ATOM 0 H GLU A 74 -8.588 -7.666 -2.999 1.00 1.10 H new ATOM 0 HA GLU A 74 -8.652 -9.654 -5.190 1.00 1.77 H new ATOM 0 HB2 GLU A 74 -8.521 -10.911 -3.017 1.00 2.97 H new ATOM 0 HB3 GLU A 74 -9.969 -10.071 -2.499 1.00 2.97 H new ATOM 0 HG2 GLU A 74 -10.685 -12.195 -3.354 1.00 3.73 H new ATOM 0 HG3 GLU A 74 -11.159 -11.000 -4.545 1.00 3.73 H new ATOM 1118 N GLY A 75 -10.545 -8.067 -5.855 1.00 1.65 N ATOM 1119 CA GLY A 75 -11.637 -7.168 -6.206 1.00 2.24 C ATOM 1120 C GLY A 75 -11.616 -6.748 -7.675 1.00 2.56 C ATOM 1121 O GLY A 75 -12.286 -7.372 -8.494 1.00 3.52 O ATOM 0 H GLY A 75 -10.039 -8.453 -6.652 1.00 1.65 H new ATOM 0 HA2 GLY A 75 -12.587 -7.656 -5.987 1.00 2.24 H new ATOM 0 HA3 GLY A 75 -11.584 -6.278 -5.579 1.00 2.24 H new ATOM 1125 N ARG A 76 -10.901 -5.661 -7.989 1.00 2.73 N ATOM 1126 CA ARG A 76 -10.803 -5.110 -9.338 1.00 3.53 C ATOM 1127 C ARG A 76 -9.478 -5.511 -9.977 1.00 3.93 C ATOM 1128 O ARG A 76 -8.576 -5.923 -9.213 1.00 4.37 O ATOM 1129 CB ARG A 76 -10.990 -3.580 -9.318 1.00 4.58 C ATOM 1130 CG ARG A 76 -9.814 -2.744 -8.767 1.00 5.87 C ATOM 1131 CD ARG A 76 -8.656 -2.586 -9.777 1.00 6.23 C ATOM 1132 NE ARG A 76 -7.821 -1.387 -9.554 1.00 7.45 N ATOM 1133 CZ ARG A 76 -8.158 -0.137 -9.916 1.00 8.65 C ATOM 1134 NH1 ARG A 76 -9.402 0.100 -10.343 1.00 8.87 N ATOM 1135 NH2 ARG A 76 -7.273 0.868 -9.865 1.00 9.93 N ATOM 1136 OXT ARG A 76 -9.363 -5.315 -11.205 1.00 4.75 O ATOM 0 H ARG A 76 -10.367 -5.134 -7.298 1.00 2.73 H new ATOM 0 HA ARG A 76 -11.605 -5.525 -9.948 1.00 3.53 H new ATOM 0 HB2 ARG A 76 -11.195 -3.249 -10.336 1.00 4.58 H new ATOM 0 HB3 ARG A 76 -11.876 -3.353 -8.725 1.00 4.58 H new ATOM 0 HG2 ARG A 76 -10.179 -1.756 -8.485 1.00 5.87 H new ATOM 0 HG3 ARG A 76 -9.435 -3.215 -7.860 1.00 5.87 H new ATOM 0 HD2 ARG A 76 -8.022 -3.471 -9.728 1.00 6.23 H new ATOM 0 HD3 ARG A 76 -9.070 -2.545 -10.785 1.00 6.23 H new ATOM 0 HE ARG A 76 -6.922 -1.518 -9.091 1.00 7.45 H new ATOM 0 HH11 ARG A 76 -10.079 -0.662 -10.390 1.00 8.87 H new ATOM 0 HH12 ARG A 76 -9.675 1.043 -10.622 1.00 8.87 H new ATOM 0 HH21 ARG A 76 -6.320 0.693 -9.546 1.00 9.93 H new ATOM 0 HH22 ARG A 76 -7.552 1.808 -10.145 1.00 9.93 H new TER 1150 ARG A 76