USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 610 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 76 TYR OH : rot -99:sc= 0.726 USER MOD Set 1.2: A 80 GLN : amide:sc= -5.69! C(o=-5!,f=-8.6!) USER MOD Set 2.1: A 5 ASN : amide:sc= -1.47 K(o=-14,f=-22!) USER MOD Set 2.2: A 8 LYS NZ :NH3+ -120:sc= 0.705 (180deg=0) USER MOD Set 2.3: A 66 THR OG1 : rot 152:sc= 0.0952 USER MOD Set 2.4: A 69 GLN : amide:sc= -12.9! C(o=-14!,f=-30!) USER MOD Set 3.1: A 49 TYR OH : rot 130:sc= -0.062 USER MOD Set 3.2: A 55 LYS NZ :NH3+ -130:sc= 0.639 (180deg=0) USER MOD Set 4.1: A 18 HIS :FLIP no HE2:sc= -11.7! C(o=-27!,f=-23!) USER MOD Set 4.2: A 23 ASN :FLIP amide:sc= -8.23! C(o=-24!,f=-23!) USER MOD Set 4.3: A 26 MET CE :methyl -113:sc= -2.72! (180deg=-3.18!) USER MOD Set 4.4: A 30 THR OG1 : rot -170:sc= 0.00393 USER MOD Set 5.1: A 13 ASN : amide:sc= -9.72! C(o=-13!,f=-17!) USER MOD Set 5.2: A 14 CYS SG : rot 30:sc= -3.07! USER MOD Single : A 11 SER OG : rot -41:sc= 0.443 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -1.74 F(o=-2.4,f=-1.7) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -131:sc= 0.124 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= -1.22 (180deg=-2.12!) USER MOD Single : A 38 GLN :FLIP amide:sc= -2.25 F(o=-4!,f=-2.2) USER MOD Single : A 41 MET CE :methyl -106:sc= -4.54! (180deg=-9.74!) USER MOD Single : A 42 TYR OH : rot 180:sc= -3.39! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -4.28! C(o=-8.7!,f=-4.3!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.514 F(o=-1.9,f=-0.51) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -17.9! C(o=-19!,f=-18!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 58 MET CE :methyl -173:sc= -4.71! (180deg=-4.89!) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.56 F(o=-2.2,f=-1.6) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 31.353 9.307 -17.128 1.00 0.00 N ATOM 14 CA ASP A 2 30.302 8.892 -18.104 1.00 0.00 C ATOM 15 C ASP A 2 30.429 7.397 -18.407 1.00 0.00 C ATOM 16 O ASP A 2 29.494 6.769 -18.859 1.00 0.00 O ATOM 17 CB ASP A 2 30.449 9.681 -19.406 1.00 0.00 C ATOM 18 CG ASP A 2 31.897 10.153 -19.571 1.00 0.00 C ATOM 19 OD1 ASP A 2 32.779 9.312 -19.549 1.00 0.00 O ATOM 20 OD2 ASP A 2 32.096 11.348 -19.717 1.00 0.00 O ATOM 0 HA ASP A 2 29.325 9.094 -17.666 1.00 0.00 H new ATOM 0 HB2 ASP A 2 30.162 9.058 -20.253 1.00 0.00 H new ATOM 0 HB3 ASP A 2 29.777 10.539 -19.399 1.00 0.00 H new ATOM 25 N LEU A 3 31.574 6.816 -18.159 1.00 0.00 N ATOM 26 CA LEU A 3 31.732 5.363 -18.436 1.00 0.00 C ATOM 27 C LEU A 3 30.908 4.568 -17.423 1.00 0.00 C ATOM 28 O LEU A 3 30.812 3.359 -17.502 1.00 0.00 O ATOM 29 CB LEU A 3 33.207 4.966 -18.327 1.00 0.00 C ATOM 30 CG LEU A 3 34.035 5.808 -19.301 1.00 0.00 C ATOM 31 CD1 LEU A 3 34.875 6.818 -18.516 1.00 0.00 C ATOM 32 CD2 LEU A 3 34.961 4.892 -20.106 1.00 0.00 C ATOM 0 H LEU A 3 32.398 7.282 -17.780 1.00 0.00 H new ATOM 0 HA LEU A 3 31.383 5.146 -19.446 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.561 5.117 -17.307 1.00 0.00 H new ATOM 0 HB3 LEU A 3 33.327 3.906 -18.552 1.00 0.00 H new ATOM 0 HG LEU A 3 33.368 6.340 -19.980 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.465 7.418 -19.209 1.00 0.00 H new ATOM 0 HD12 LEU A 3 34.217 7.470 -17.941 1.00 0.00 H new ATOM 0 HD13 LEU A 3 35.542 6.287 -17.837 1.00 0.00 H new ATOM 0 HD21 LEU A 3 35.551 5.490 -20.800 1.00 0.00 H new ATOM 0 HD22 LEU A 3 35.628 4.361 -19.427 1.00 0.00 H new ATOM 0 HD23 LEU A 3 34.364 4.172 -20.665 1.00 0.00 H new ATOM 44 N ALA A 4 30.285 5.235 -16.485 1.00 0.00 N ATOM 45 CA ALA A 4 29.446 4.510 -15.509 1.00 0.00 C ATOM 46 C ALA A 4 28.289 3.928 -16.300 1.00 0.00 C ATOM 47 O ALA A 4 27.811 2.841 -16.043 1.00 0.00 O ATOM 48 CB ALA A 4 28.923 5.479 -14.446 1.00 0.00 C ATOM 0 H ALA A 4 30.326 6.247 -16.360 1.00 0.00 H new ATOM 0 HA ALA A 4 30.010 3.731 -14.996 1.00 0.00 H new ATOM 0 HB1 ALA A 4 28.305 4.936 -13.731 1.00 0.00 H new ATOM 0 HB2 ALA A 4 29.764 5.936 -13.925 1.00 0.00 H new ATOM 0 HB3 ALA A 4 28.326 6.256 -14.924 1.00 0.00 H new ATOM 54 N ASN A 5 27.875 4.649 -17.302 1.00 0.00 N ATOM 55 CA ASN A 5 26.788 4.167 -18.180 1.00 0.00 C ATOM 56 C ASN A 5 27.329 2.963 -18.949 1.00 0.00 C ATOM 57 O ASN A 5 26.598 2.088 -19.369 1.00 0.00 O ATOM 58 CB ASN A 5 26.414 5.289 -19.145 1.00 0.00 C ATOM 59 CG ASN A 5 24.972 5.732 -18.884 1.00 0.00 C ATOM 60 OD1 ASN A 5 24.077 4.914 -18.807 1.00 0.00 O ATOM 61 ND2 ASN A 5 24.706 7.003 -18.745 1.00 0.00 N ATOM 0 H ASN A 5 28.252 5.564 -17.549 1.00 0.00 H new ATOM 0 HA ASN A 5 25.903 3.881 -17.612 1.00 0.00 H new ATOM 0 HB2 ASN A 5 27.093 6.132 -19.018 1.00 0.00 H new ATOM 0 HB3 ASN A 5 26.519 4.947 -20.175 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.748 7.308 -18.572 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.456 7.691 -18.809 1.00 0.00 H new ATOM 68 N GLY A 6 28.626 2.918 -19.112 1.00 0.00 N ATOM 69 CA GLY A 6 29.265 1.781 -19.826 1.00 0.00 C ATOM 70 C GLY A 6 29.019 0.498 -19.034 1.00 0.00 C ATOM 71 O GLY A 6 28.375 -0.403 -19.504 1.00 0.00 O ATOM 0 H GLY A 6 29.274 3.630 -18.776 1.00 0.00 H new ATOM 0 HA2 GLY A 6 28.854 1.688 -20.831 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.335 1.958 -19.935 1.00 0.00 H new ATOM 75 N ALA A 7 29.526 0.410 -17.833 1.00 0.00 N ATOM 76 CA ALA A 7 29.312 -0.822 -17.018 1.00 0.00 C ATOM 77 C ALA A 7 27.827 -1.157 -16.977 1.00 0.00 C ATOM 78 O ALA A 7 27.442 -2.304 -16.919 1.00 0.00 O ATOM 79 CB ALA A 7 29.800 -0.591 -15.588 1.00 0.00 C ATOM 0 H ALA A 7 30.079 1.138 -17.381 1.00 0.00 H new ATOM 0 HA ALA A 7 29.868 -1.643 -17.470 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.641 -1.494 -14.999 1.00 0.00 H new ATOM 0 HB2 ALA A 7 30.863 -0.349 -15.601 1.00 0.00 H new ATOM 0 HB3 ALA A 7 29.245 0.235 -15.143 1.00 0.00 H new ATOM 85 N LYS A 8 26.989 -0.164 -16.994 1.00 0.00 N ATOM 86 CA LYS A 8 25.531 -0.432 -16.952 1.00 0.00 C ATOM 87 C LYS A 8 25.156 -1.308 -18.146 1.00 0.00 C ATOM 88 O LYS A 8 24.383 -2.239 -18.035 1.00 0.00 O ATOM 89 CB LYS A 8 24.770 0.889 -17.017 1.00 0.00 C ATOM 90 CG LYS A 8 23.285 0.615 -17.286 1.00 0.00 C ATOM 91 CD LYS A 8 22.975 0.815 -18.773 1.00 0.00 C ATOM 92 CE LYS A 8 23.539 2.158 -19.235 1.00 0.00 C ATOM 93 NZ LYS A 8 22.488 2.918 -19.970 1.00 0.00 N ATOM 0 H LYS A 8 27.251 0.821 -17.035 1.00 0.00 H new ATOM 0 HA LYS A 8 25.272 -0.946 -16.026 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.886 1.433 -16.080 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.182 1.519 -17.805 1.00 0.00 H new ATOM 0 HG2 LYS A 8 23.035 -0.403 -16.988 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.669 1.284 -16.685 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.410 0.005 -19.358 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.898 0.785 -18.938 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.884 2.733 -18.376 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.403 1.998 -19.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.811 3.107 -20.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.612 2.359 -19.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.307 3.819 -19.484 1.00 0.00 H new ATOM 107 N VAL A 9 25.710 -1.016 -19.289 1.00 0.00 N ATOM 108 CA VAL A 9 25.409 -1.823 -20.502 1.00 0.00 C ATOM 109 C VAL A 9 26.221 -3.118 -20.463 1.00 0.00 C ATOM 110 O VAL A 9 25.692 -4.192 -20.631 1.00 0.00 O ATOM 111 CB VAL A 9 25.779 -1.011 -21.750 1.00 0.00 C ATOM 112 CG1 VAL A 9 26.108 -1.936 -22.930 1.00 0.00 C ATOM 113 CG2 VAL A 9 24.596 -0.117 -22.134 1.00 0.00 C ATOM 0 H VAL A 9 26.363 -0.247 -19.435 1.00 0.00 H new ATOM 0 HA VAL A 9 24.347 -2.068 -20.532 1.00 0.00 H new ATOM 0 HB VAL A 9 26.658 -0.408 -21.523 1.00 0.00 H new ATOM 0 HG11 VAL A 9 26.367 -1.335 -23.802 1.00 0.00 H new ATOM 0 HG12 VAL A 9 26.950 -2.576 -22.667 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.241 -2.555 -23.160 1.00 0.00 H new ATOM 0 HG21 VAL A 9 24.851 0.464 -23.020 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.725 -0.737 -22.345 1.00 0.00 H new ATOM 0 HG23 VAL A 9 24.369 0.560 -21.310 1.00 0.00 H new ATOM 123 N PHE A 10 27.507 -3.025 -20.267 1.00 0.00 N ATOM 124 CA PHE A 10 28.337 -4.252 -20.245 1.00 0.00 C ATOM 125 C PHE A 10 27.792 -5.248 -19.219 1.00 0.00 C ATOM 126 O PHE A 10 28.008 -6.440 -19.315 1.00 0.00 O ATOM 127 CB PHE A 10 29.771 -3.873 -19.890 1.00 0.00 C ATOM 128 CG PHE A 10 30.583 -5.128 -19.747 1.00 0.00 C ATOM 129 CD1 PHE A 10 30.420 -5.914 -18.610 1.00 0.00 C ATOM 130 CD2 PHE A 10 31.484 -5.515 -20.747 1.00 0.00 C ATOM 131 CE1 PHE A 10 31.151 -7.086 -18.461 1.00 0.00 C ATOM 132 CE2 PHE A 10 32.221 -6.696 -20.599 1.00 0.00 C ATOM 133 CZ PHE A 10 32.054 -7.483 -19.454 1.00 0.00 C ATOM 0 H PHE A 10 28.014 -2.152 -20.122 1.00 0.00 H new ATOM 0 HA PHE A 10 28.311 -4.723 -21.228 1.00 0.00 H new ATOM 0 HB2 PHE A 10 30.196 -3.235 -20.665 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.792 -3.303 -18.961 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.724 -5.612 -17.842 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.610 -4.905 -21.629 1.00 0.00 H new ATOM 0 HE1 PHE A 10 31.022 -7.692 -17.577 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.917 -6.999 -21.367 1.00 0.00 H new ATOM 0 HZ PHE A 10 32.621 -8.395 -19.337 1.00 0.00 H new ATOM 143 N SER A 11 27.092 -4.765 -18.243 1.00 0.00 N ATOM 144 CA SER A 11 26.526 -5.668 -17.197 1.00 0.00 C ATOM 145 C SER A 11 25.136 -6.134 -17.628 1.00 0.00 C ATOM 146 O SER A 11 24.303 -6.481 -16.812 1.00 0.00 O ATOM 147 CB SER A 11 26.420 -4.911 -15.872 1.00 0.00 C ATOM 148 OG SER A 11 25.339 -3.994 -15.937 1.00 0.00 O ATOM 0 H SER A 11 26.881 -3.775 -18.117 1.00 0.00 H new ATOM 0 HA SER A 11 27.178 -6.532 -17.071 1.00 0.00 H new ATOM 0 HB2 SER A 11 26.267 -5.612 -15.051 1.00 0.00 H new ATOM 0 HB3 SER A 11 27.350 -4.380 -15.669 1.00 0.00 H new ATOM 0 HG SER A 11 25.332 -3.558 -16.815 1.00 0.00 H new ATOM 154 N GLY A 12 24.879 -6.141 -18.904 1.00 0.00 N ATOM 155 CA GLY A 12 23.549 -6.578 -19.393 1.00 0.00 C ATOM 156 C GLY A 12 23.619 -6.998 -20.870 1.00 0.00 C ATOM 157 O GLY A 12 22.604 -7.193 -21.508 1.00 0.00 O ATOM 0 H GLY A 12 25.537 -5.861 -19.631 1.00 0.00 H new ATOM 0 HA2 GLY A 12 23.191 -7.413 -18.790 1.00 0.00 H new ATOM 0 HA3 GLY A 12 22.829 -5.768 -19.275 1.00 0.00 H new ATOM 161 N ASN A 13 24.795 -7.149 -21.421 1.00 0.00 N ATOM 162 CA ASN A 13 24.895 -7.567 -22.850 1.00 0.00 C ATOM 163 C ASN A 13 26.222 -8.298 -23.070 1.00 0.00 C ATOM 164 O ASN A 13 26.286 -9.291 -23.769 1.00 0.00 O ATOM 165 CB ASN A 13 24.826 -6.342 -23.774 1.00 0.00 C ATOM 166 CG ASN A 13 25.130 -5.061 -22.989 1.00 0.00 C ATOM 167 OD1 ASN A 13 26.277 -4.703 -22.812 1.00 0.00 O ATOM 168 ND2 ASN A 13 24.140 -4.347 -22.518 1.00 0.00 N ATOM 0 H ASN A 13 25.686 -7.002 -20.946 1.00 0.00 H new ATOM 0 HA ASN A 13 24.062 -8.229 -23.084 1.00 0.00 H new ATOM 0 HB2 ASN A 13 25.540 -6.454 -24.590 1.00 0.00 H new ATOM 0 HB3 ASN A 13 23.836 -6.274 -24.224 1.00 0.00 H new ATOM 0 HD21 ASN A 13 24.331 -3.488 -22.001 1.00 0.00 H new ATOM 0 HD22 ASN A 13 23.177 -4.649 -22.667 1.00 0.00 H new ATOM 175 N CYS A 14 27.279 -7.820 -22.475 1.00 0.00 N ATOM 176 CA CYS A 14 28.600 -8.493 -22.644 1.00 0.00 C ATOM 177 C CYS A 14 28.799 -9.486 -21.496 1.00 0.00 C ATOM 178 O CYS A 14 29.440 -10.507 -21.642 1.00 0.00 O ATOM 179 CB CYS A 14 29.729 -7.453 -22.611 1.00 0.00 C ATOM 180 SG CYS A 14 29.120 -5.840 -23.170 1.00 0.00 S ATOM 0 H CYS A 14 27.287 -6.992 -21.879 1.00 0.00 H new ATOM 0 HA CYS A 14 28.622 -9.013 -23.602 1.00 0.00 H new ATOM 0 HB2 CYS A 14 30.125 -7.368 -21.599 1.00 0.00 H new ATOM 0 HB3 CYS A 14 30.551 -7.779 -23.248 1.00 0.00 H new ATOM 0 HG CYS A 14 27.858 -5.729 -22.880 1.00 0.00 H new ATOM 185 N ALA A 15 28.249 -9.184 -20.353 1.00 0.00 N ATOM 186 CA ALA A 15 28.393 -10.088 -19.177 1.00 0.00 C ATOM 187 C ALA A 15 28.224 -11.549 -19.607 1.00 0.00 C ATOM 188 O ALA A 15 28.982 -12.413 -19.212 1.00 0.00 O ATOM 189 CB ALA A 15 27.323 -9.738 -18.143 1.00 0.00 C ATOM 0 H ALA A 15 27.700 -8.341 -20.182 1.00 0.00 H new ATOM 0 HA ALA A 15 29.386 -9.959 -18.746 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.422 -10.396 -17.280 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.448 -8.702 -17.827 1.00 0.00 H new ATOM 0 HB3 ALA A 15 26.335 -9.866 -18.585 1.00 0.00 H new ATOM 195 N ALA A 16 27.227 -11.835 -20.398 1.00 0.00 N ATOM 196 CA ALA A 16 26.999 -13.243 -20.836 1.00 0.00 C ATOM 197 C ALA A 16 28.242 -13.794 -21.543 1.00 0.00 C ATOM 198 O ALA A 16 28.652 -14.914 -21.306 1.00 0.00 O ATOM 199 CB ALA A 16 25.810 -13.289 -21.798 1.00 0.00 C ATOM 0 H ALA A 16 26.559 -11.155 -20.761 1.00 0.00 H new ATOM 0 HA ALA A 16 26.793 -13.854 -19.957 1.00 0.00 H new ATOM 0 HB1 ALA A 16 25.642 -14.317 -22.119 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.919 -12.916 -21.293 1.00 0.00 H new ATOM 0 HB3 ALA A 16 26.021 -12.667 -22.668 1.00 0.00 H new ATOM 205 N CYS A 17 28.841 -13.030 -22.415 1.00 0.00 N ATOM 206 CA CYS A 17 30.048 -13.533 -23.135 1.00 0.00 C ATOM 207 C CYS A 17 31.283 -12.771 -22.686 1.00 0.00 C ATOM 208 O CYS A 17 32.229 -12.620 -23.430 1.00 0.00 O ATOM 209 CB CYS A 17 29.867 -13.336 -24.628 1.00 0.00 C ATOM 210 SG CYS A 17 28.329 -14.140 -25.158 1.00 0.00 S ATOM 0 H CYS A 17 28.550 -12.084 -22.660 1.00 0.00 H new ATOM 0 HA CYS A 17 30.174 -14.592 -22.909 1.00 0.00 H new ATOM 0 HB2 CYS A 17 29.835 -12.272 -24.865 1.00 0.00 H new ATOM 0 HB3 CYS A 17 30.715 -13.757 -25.167 1.00 0.00 H new ATOM 0 HG CYS A 17 28.170 -13.971 -26.437 1.00 0.00 H new ATOM 215 N HIS A 18 31.286 -12.284 -21.484 1.00 0.00 N ATOM 216 CA HIS A 18 32.466 -11.523 -21.007 1.00 0.00 C ATOM 217 C HIS A 18 32.440 -11.458 -19.482 1.00 0.00 C ATOM 218 O HIS A 18 33.191 -12.131 -18.804 1.00 0.00 O ATOM 219 CB HIS A 18 32.399 -10.113 -21.596 1.00 0.00 C ATOM 220 CG HIS A 18 32.824 -10.150 -23.024 1.00 0.00 C ATOM 221 ND1 HIS A 18 32.123 -10.199 -24.201 1.00 0.00 N flip ATOM 222 CD2 HIS A 18 34.155 -10.136 -23.371 1.00 0.00 C flip ATOM 223 CE1 HIS A 18 33.016 -10.220 -25.267 1.00 0.00 C flip ATOM 224 NE2 HIS A 18 34.226 -10.179 -24.704 1.00 0.00 N flip ATOM 0 H HIS A 18 30.525 -12.379 -20.812 1.00 0.00 H new ATOM 0 HA HIS A 18 33.389 -12.009 -21.322 1.00 0.00 H new ATOM 0 HB2 HIS A 18 31.384 -9.722 -21.518 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.044 -9.440 -21.031 1.00 0.00 H new ATOM 0 HD1 HIS A 18 31.106 -10.217 -24.282 1.00 0.00 H new ATOM 0 HD2 HIS A 18 34.991 -10.097 -22.689 1.00 0.00 H new ATOM 0 HE1 HIS A 18 32.782 -10.261 -26.321 1.00 0.00 H new ATOM 232 N MET A 19 31.567 -10.660 -18.947 1.00 0.00 N ATOM 233 CA MET A 19 31.455 -10.540 -17.464 1.00 0.00 C ATOM 234 C MET A 19 32.809 -10.169 -16.850 1.00 0.00 C ATOM 235 O MET A 19 33.752 -10.933 -16.896 1.00 0.00 O ATOM 236 CB MET A 19 30.990 -11.867 -16.888 1.00 0.00 C ATOM 237 CG MET A 19 29.599 -11.701 -16.275 1.00 0.00 C ATOM 238 SD MET A 19 29.288 -13.055 -15.115 1.00 0.00 S ATOM 239 CE MET A 19 28.191 -12.149 -13.997 1.00 0.00 C ATOM 0 H MET A 19 30.917 -10.078 -19.475 1.00 0.00 H new ATOM 0 HA MET A 19 30.736 -9.756 -17.228 1.00 0.00 H new ATOM 0 HB2 MET A 19 30.966 -12.626 -17.670 1.00 0.00 H new ATOM 0 HB3 MET A 19 31.693 -12.213 -16.130 1.00 0.00 H new ATOM 0 HG2 MET A 19 29.528 -10.743 -15.760 1.00 0.00 H new ATOM 0 HG3 MET A 19 28.842 -11.698 -17.059 1.00 0.00 H new ATOM 0 HE1 MET A 19 27.871 -12.807 -13.189 1.00 0.00 H new ATOM 0 HE2 MET A 19 28.722 -11.294 -13.580 1.00 0.00 H new ATOM 0 HE3 MET A 19 27.318 -11.800 -14.548 1.00 0.00 H new ATOM 249 N GLY A 20 32.904 -9.004 -16.263 1.00 0.00 N ATOM 250 CA GLY A 20 34.188 -8.578 -15.630 1.00 0.00 C ATOM 251 C GLY A 20 35.366 -8.999 -16.511 1.00 0.00 C ATOM 252 O GLY A 20 36.199 -9.789 -16.112 1.00 0.00 O ATOM 0 H GLY A 20 32.144 -8.327 -16.195 1.00 0.00 H new ATOM 0 HA2 GLY A 20 34.194 -7.497 -15.491 1.00 0.00 H new ATOM 0 HA3 GLY A 20 34.283 -9.027 -14.641 1.00 0.00 H new ATOM 256 N GLY A 21 35.439 -8.478 -17.704 1.00 0.00 N ATOM 257 CA GLY A 21 36.552 -8.842 -18.617 1.00 0.00 C ATOM 258 C GLY A 21 36.798 -10.346 -18.541 1.00 0.00 C ATOM 259 O GLY A 21 37.833 -10.794 -18.088 1.00 0.00 O ATOM 0 H GLY A 21 34.769 -7.811 -18.086 1.00 0.00 H new ATOM 0 HA2 GLY A 21 36.308 -8.553 -19.639 1.00 0.00 H new ATOM 0 HA3 GLY A 21 37.456 -8.300 -18.340 1.00 0.00 H new ATOM 263 N GLY A 22 35.855 -11.132 -18.977 1.00 0.00 N ATOM 264 CA GLY A 22 36.041 -12.606 -18.925 1.00 0.00 C ATOM 265 C GLY A 22 35.265 -13.268 -20.066 1.00 0.00 C ATOM 266 O GLY A 22 34.284 -13.949 -19.847 1.00 0.00 O ATOM 0 H GLY A 22 34.966 -10.818 -19.366 1.00 0.00 H new ATOM 0 HA2 GLY A 22 37.100 -12.851 -19.004 1.00 0.00 H new ATOM 0 HA3 GLY A 22 35.695 -12.992 -17.966 1.00 0.00 H new ATOM 270 N ASN A 23 35.696 -13.078 -21.284 1.00 0.00 N ATOM 271 CA ASN A 23 34.980 -13.700 -22.432 1.00 0.00 C ATOM 272 C ASN A 23 34.724 -15.176 -22.125 1.00 0.00 C ATOM 273 O ASN A 23 35.289 -15.732 -21.203 1.00 0.00 O ATOM 274 CB ASN A 23 35.833 -13.579 -23.696 1.00 0.00 C ATOM 275 CG ASN A 23 37.254 -14.062 -23.403 1.00 0.00 C ATOM 276 OD1 ASN A 23 38.170 -13.941 -24.322 1.00 0.00 O flip ATOM 277 ND2 ASN A 23 37.532 -14.554 -22.327 1.00 0.00 N flip ATOM 0 H ASN A 23 36.512 -12.519 -21.532 1.00 0.00 H new ATOM 0 HA ASN A 23 34.030 -13.189 -22.591 1.00 0.00 H new ATOM 0 HB2 ASN A 23 35.395 -14.170 -24.500 1.00 0.00 H new ATOM 0 HB3 ASN A 23 35.853 -12.544 -24.036 1.00 0.00 H new ATOM 0 HD21 ASN A 23 36.814 -14.648 -21.609 1.00 0.00 H new ATOM 0 HD22 ASN A 23 38.483 -14.873 -22.142 1.00 0.00 H new ATOM 284 N VAL A 24 33.877 -15.822 -22.882 1.00 0.00 N ATOM 285 CA VAL A 24 33.600 -17.262 -22.608 1.00 0.00 C ATOM 286 C VAL A 24 33.762 -18.077 -23.892 1.00 0.00 C ATOM 287 O VAL A 24 34.252 -19.188 -23.874 1.00 0.00 O ATOM 288 CB VAL A 24 32.176 -17.421 -22.069 1.00 0.00 C ATOM 289 CG1 VAL A 24 31.909 -16.347 -21.014 1.00 0.00 C ATOM 290 CG2 VAL A 24 31.169 -17.272 -23.213 1.00 0.00 C ATOM 0 H VAL A 24 33.370 -15.420 -23.670 1.00 0.00 H new ATOM 0 HA VAL A 24 34.308 -17.626 -21.864 1.00 0.00 H new ATOM 0 HB VAL A 24 32.069 -18.409 -21.622 1.00 0.00 H new ATOM 0 HG11 VAL A 24 30.895 -16.459 -20.629 1.00 0.00 H new ATOM 0 HG12 VAL A 24 32.622 -16.455 -20.196 1.00 0.00 H new ATOM 0 HG13 VAL A 24 32.020 -15.360 -21.463 1.00 0.00 H new ATOM 0 HG21 VAL A 24 30.157 -17.386 -22.824 1.00 0.00 H new ATOM 0 HG22 VAL A 24 31.275 -16.286 -23.665 1.00 0.00 H new ATOM 0 HG23 VAL A 24 31.357 -18.038 -23.965 1.00 0.00 H new ATOM 300 N VAL A 25 33.355 -17.539 -25.007 1.00 0.00 N ATOM 301 CA VAL A 25 33.490 -18.291 -26.282 1.00 0.00 C ATOM 302 C VAL A 25 34.910 -18.116 -26.821 1.00 0.00 C ATOM 303 O VAL A 25 35.520 -19.047 -27.309 1.00 0.00 O ATOM 304 CB VAL A 25 32.487 -17.749 -27.297 1.00 0.00 C ATOM 305 CG1 VAL A 25 32.245 -18.800 -28.381 1.00 0.00 C ATOM 306 CG2 VAL A 25 31.169 -17.430 -26.590 1.00 0.00 C ATOM 0 H VAL A 25 32.936 -16.613 -25.089 1.00 0.00 H new ATOM 0 HA VAL A 25 33.294 -19.349 -26.109 1.00 0.00 H new ATOM 0 HB VAL A 25 32.882 -16.841 -27.753 1.00 0.00 H new ATOM 0 HG11 VAL A 25 31.529 -18.415 -29.107 1.00 0.00 H new ATOM 0 HG12 VAL A 25 33.185 -19.027 -28.884 1.00 0.00 H new ATOM 0 HG13 VAL A 25 31.848 -19.707 -27.926 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.452 -17.043 -27.314 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.771 -18.337 -26.135 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.343 -16.682 -25.816 1.00 0.00 H new ATOM 316 N MET A 26 35.442 -16.929 -26.731 1.00 0.00 N ATOM 317 CA MET A 26 36.822 -16.691 -27.234 1.00 0.00 C ATOM 318 C MET A 26 37.806 -17.569 -26.461 1.00 0.00 C ATOM 319 O MET A 26 38.536 -18.352 -27.034 1.00 0.00 O ATOM 320 CB MET A 26 37.188 -15.220 -27.031 1.00 0.00 C ATOM 321 CG MET A 26 36.298 -14.348 -27.906 1.00 0.00 C ATOM 322 SD MET A 26 35.040 -13.549 -26.882 1.00 0.00 S ATOM 323 CE MET A 26 35.872 -11.950 -26.720 1.00 0.00 C ATOM 0 H MET A 26 34.979 -16.113 -26.330 1.00 0.00 H new ATOM 0 HA MET A 26 36.870 -16.938 -28.295 1.00 0.00 H new ATOM 0 HB2 MET A 26 37.066 -14.946 -25.983 1.00 0.00 H new ATOM 0 HB3 MET A 26 38.236 -15.057 -27.284 1.00 0.00 H new ATOM 0 HG2 MET A 26 36.898 -13.595 -28.417 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.823 -14.954 -28.677 1.00 0.00 H new ATOM 0 HE1 MET A 26 36.174 -11.801 -25.684 1.00 0.00 H new ATOM 0 HE2 MET A 26 36.753 -11.932 -27.361 1.00 0.00 H new ATOM 0 HE3 MET A 26 35.190 -11.153 -27.017 1.00 0.00 H new ATOM 333 N ALA A 27 37.832 -17.443 -25.163 1.00 0.00 N ATOM 334 CA ALA A 27 38.771 -18.268 -24.353 1.00 0.00 C ATOM 335 C ALA A 27 40.194 -17.728 -24.516 1.00 0.00 C ATOM 336 O ALA A 27 41.161 -18.452 -24.383 1.00 0.00 O ATOM 337 CB ALA A 27 38.719 -19.722 -24.827 1.00 0.00 C ATOM 0 H ALA A 27 37.243 -16.804 -24.628 1.00 0.00 H new ATOM 0 HA ALA A 27 38.481 -18.220 -23.303 1.00 0.00 H new ATOM 0 HB1 ALA A 27 39.407 -20.323 -24.233 1.00 0.00 H new ATOM 0 HB2 ALA A 27 37.706 -20.107 -24.709 1.00 0.00 H new ATOM 0 HB3 ALA A 27 39.007 -19.773 -25.877 1.00 0.00 H new ATOM 343 N ASN A 28 40.331 -16.461 -24.798 1.00 0.00 N ATOM 344 CA ASN A 28 41.688 -15.878 -24.965 1.00 0.00 C ATOM 345 C ASN A 28 41.576 -14.382 -25.273 1.00 0.00 C ATOM 346 O ASN A 28 42.389 -13.587 -24.844 1.00 0.00 O ATOM 347 CB ASN A 28 42.417 -16.590 -26.109 1.00 0.00 C ATOM 348 CG ASN A 28 41.865 -16.107 -27.454 1.00 0.00 C ATOM 349 OD1 ASN A 28 40.612 -16.322 -27.747 1.00 0.00 O flip ATOM 350 ND2 ASN A 28 42.583 -15.528 -28.245 1.00 0.00 N flip ATOM 0 H ASN A 28 39.559 -15.805 -24.920 1.00 0.00 H new ATOM 0 HA ASN A 28 42.252 -16.010 -24.042 1.00 0.00 H new ATOM 0 HB2 ASN A 28 43.487 -16.390 -26.051 1.00 0.00 H new ATOM 0 HB3 ASN A 28 42.289 -17.669 -26.019 1.00 0.00 H new ATOM 0 HD21 ASN A 28 43.563 -15.360 -28.016 1.00 0.00 H new ATOM 0 HD22 ASN A 28 42.206 -15.210 -29.138 1.00 0.00 H new ATOM 357 N LYS A 29 40.575 -13.991 -26.015 1.00 0.00 N ATOM 358 CA LYS A 29 40.416 -12.547 -26.350 1.00 0.00 C ATOM 359 C LYS A 29 39.550 -11.868 -25.286 1.00 0.00 C ATOM 360 O LYS A 29 38.526 -11.284 -25.582 1.00 0.00 O ATOM 361 CB LYS A 29 39.747 -12.415 -27.719 1.00 0.00 C ATOM 362 CG LYS A 29 40.805 -12.552 -28.815 1.00 0.00 C ATOM 363 CD LYS A 29 40.136 -12.439 -30.186 1.00 0.00 C ATOM 364 CE LYS A 29 40.205 -13.790 -30.900 1.00 0.00 C ATOM 365 NZ LYS A 29 38.831 -14.350 -31.036 1.00 0.00 N ATOM 0 H LYS A 29 39.862 -14.608 -26.403 1.00 0.00 H new ATOM 0 HA LYS A 29 41.395 -12.068 -26.377 1.00 0.00 H new ATOM 0 HB2 LYS A 29 38.982 -13.182 -27.838 1.00 0.00 H new ATOM 0 HB3 LYS A 29 39.246 -11.450 -27.800 1.00 0.00 H new ATOM 0 HG2 LYS A 29 41.563 -11.776 -28.703 1.00 0.00 H new ATOM 0 HG3 LYS A 29 41.315 -13.511 -28.725 1.00 0.00 H new ATOM 0 HD2 LYS A 29 39.097 -12.129 -30.071 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.633 -11.674 -30.783 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.660 -13.671 -31.883 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.836 -14.479 -30.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.877 -15.269 -31.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.413 -14.478 -30.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.242 -13.695 -31.589 1.00 0.00 H new ATOM 379 N THR A 30 39.952 -11.943 -24.046 1.00 0.00 N ATOM 380 CA THR A 30 39.157 -11.307 -22.957 1.00 0.00 C ATOM 381 C THR A 30 39.207 -9.784 -23.112 1.00 0.00 C ATOM 382 O THR A 30 39.854 -9.267 -24.000 1.00 0.00 O ATOM 383 CB THR A 30 39.761 -11.701 -21.609 1.00 0.00 C ATOM 384 OG1 THR A 30 40.088 -13.083 -21.624 1.00 0.00 O ATOM 385 CG2 THR A 30 38.758 -11.424 -20.488 1.00 0.00 C ATOM 0 H THR A 30 40.800 -12.419 -23.739 1.00 0.00 H new ATOM 0 HA THR A 30 38.121 -11.641 -23.011 1.00 0.00 H new ATOM 0 HB THR A 30 40.663 -11.114 -21.434 1.00 0.00 H new ATOM 0 HG1 THR A 30 40.325 -13.373 -20.718 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.195 -11.707 -19.530 1.00 0.00 H new ATOM 0 HG22 THR A 30 38.511 -10.362 -20.475 1.00 0.00 H new ATOM 0 HG23 THR A 30 37.852 -12.005 -20.659 1.00 0.00 H new ATOM 393 N LEU A 31 38.532 -9.061 -22.256 1.00 0.00 N ATOM 394 CA LEU A 31 38.549 -7.573 -22.357 1.00 0.00 C ATOM 395 C LEU A 31 39.551 -6.991 -21.360 1.00 0.00 C ATOM 396 O LEU A 31 39.827 -5.807 -21.369 1.00 0.00 O ATOM 397 CB LEU A 31 37.171 -7.013 -22.032 1.00 0.00 C ATOM 398 CG LEU A 31 36.057 -7.752 -22.803 1.00 0.00 C ATOM 399 CD1 LEU A 31 35.021 -6.734 -23.280 1.00 0.00 C ATOM 400 CD2 LEU A 31 36.616 -8.493 -24.027 1.00 0.00 C ATOM 0 H LEU A 31 37.970 -9.437 -21.492 1.00 0.00 H new ATOM 0 HA LEU A 31 38.833 -7.302 -23.374 1.00 0.00 H new ATOM 0 HB2 LEU A 31 36.988 -7.096 -20.961 1.00 0.00 H new ATOM 0 HB3 LEU A 31 37.142 -5.952 -22.279 1.00 0.00 H new ATOM 0 HG LEU A 31 35.607 -8.483 -22.131 1.00 0.00 H new ATOM 0 HD11 LEU A 31 34.230 -7.248 -23.826 1.00 0.00 H new ATOM 0 HD12 LEU A 31 34.593 -6.220 -22.419 1.00 0.00 H new ATOM 0 HD13 LEU A 31 35.500 -6.007 -23.935 1.00 0.00 H new ATOM 0 HD21 LEU A 31 35.804 -9.002 -24.546 1.00 0.00 H new ATOM 0 HD22 LEU A 31 37.086 -7.778 -24.702 1.00 0.00 H new ATOM 0 HD23 LEU A 31 37.355 -9.226 -23.703 1.00 0.00 H new ATOM 412 N LYS A 32 40.083 -7.796 -20.482 1.00 0.00 N ATOM 413 CA LYS A 32 41.042 -7.257 -19.476 1.00 0.00 C ATOM 414 C LYS A 32 42.065 -6.336 -20.150 1.00 0.00 C ATOM 415 O LYS A 32 41.978 -5.130 -20.050 1.00 0.00 O ATOM 416 CB LYS A 32 41.776 -8.390 -18.748 1.00 0.00 C ATOM 417 CG LYS A 32 42.003 -9.584 -19.680 1.00 0.00 C ATOM 418 CD LYS A 32 41.417 -10.835 -19.025 1.00 0.00 C ATOM 419 CE LYS A 32 42.387 -11.351 -17.961 1.00 0.00 C ATOM 420 NZ LYS A 32 42.462 -12.838 -18.035 1.00 0.00 N ATOM 0 H LYS A 32 39.897 -8.797 -20.417 1.00 0.00 H new ATOM 0 HA LYS A 32 40.468 -6.687 -18.745 1.00 0.00 H new ATOM 0 HB2 LYS A 32 42.734 -8.027 -18.376 1.00 0.00 H new ATOM 0 HB3 LYS A 32 41.196 -8.706 -17.881 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.529 -9.405 -20.645 1.00 0.00 H new ATOM 0 HG3 LYS A 32 43.068 -9.719 -19.868 1.00 0.00 H new ATOM 0 HD2 LYS A 32 40.452 -10.605 -18.573 1.00 0.00 H new ATOM 0 HD3 LYS A 32 41.241 -11.604 -19.777 1.00 0.00 H new ATOM 0 HE2 LYS A 32 43.376 -10.918 -18.115 1.00 0.00 H new ATOM 0 HE3 LYS A 32 42.054 -11.042 -16.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 42.343 -13.239 -17.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.708 -13.193 -18.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 43.387 -13.120 -18.416 1.00 0.00 H new ATOM 434 N LYS A 33 43.039 -6.882 -20.830 1.00 0.00 N ATOM 435 CA LYS A 33 44.055 -6.008 -21.491 1.00 0.00 C ATOM 436 C LYS A 33 45.249 -6.855 -21.954 1.00 0.00 C ATOM 437 O LYS A 33 45.775 -6.670 -23.034 1.00 0.00 O ATOM 438 CB LYS A 33 44.518 -4.941 -20.478 1.00 0.00 C ATOM 439 CG LYS A 33 46.027 -4.679 -20.599 1.00 0.00 C ATOM 440 CD LYS A 33 46.334 -3.250 -20.152 1.00 0.00 C ATOM 441 CE LYS A 33 46.621 -3.248 -18.653 1.00 0.00 C ATOM 442 NZ LYS A 33 46.040 -2.023 -18.036 1.00 0.00 N ATOM 0 H LYS A 33 43.175 -7.885 -20.956 1.00 0.00 H new ATOM 0 HA LYS A 33 43.620 -5.521 -22.364 1.00 0.00 H new ATOM 0 HB2 LYS A 33 43.970 -4.014 -20.647 1.00 0.00 H new ATOM 0 HB3 LYS A 33 44.283 -5.270 -19.466 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.581 -5.390 -19.986 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.351 -4.827 -21.629 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.192 -2.860 -20.700 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.490 -2.597 -20.374 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.195 -4.138 -18.190 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.696 -3.281 -18.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.945 -2.163 -17.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.666 -1.212 -18.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.104 -1.837 -18.449 1.00 0.00 H new ATOM 456 N GLU A 34 45.697 -7.760 -21.131 1.00 0.00 N ATOM 457 CA GLU A 34 46.871 -8.592 -21.498 1.00 0.00 C ATOM 458 C GLU A 34 46.617 -9.320 -22.819 1.00 0.00 C ATOM 459 O GLU A 34 47.538 -9.674 -23.529 1.00 0.00 O ATOM 460 CB GLU A 34 47.133 -9.617 -20.393 1.00 0.00 C ATOM 461 CG GLU A 34 46.030 -10.677 -20.406 1.00 0.00 C ATOM 462 CD GLU A 34 46.098 -11.501 -19.119 1.00 0.00 C ATOM 463 OE1 GLU A 34 46.856 -11.127 -18.239 1.00 0.00 O ATOM 464 OE2 GLU A 34 45.392 -12.493 -19.034 1.00 0.00 O ATOM 0 H GLU A 34 45.296 -7.959 -20.214 1.00 0.00 H new ATOM 0 HA GLU A 34 47.740 -7.944 -21.615 1.00 0.00 H new ATOM 0 HB2 GLU A 34 48.105 -10.087 -20.542 1.00 0.00 H new ATOM 0 HB3 GLU A 34 47.164 -9.121 -19.423 1.00 0.00 H new ATOM 0 HG2 GLU A 34 45.054 -10.200 -20.494 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.146 -11.327 -21.273 1.00 0.00 H new ATOM 471 N ALA A 35 45.381 -9.562 -23.148 1.00 0.00 N ATOM 472 CA ALA A 35 45.079 -10.282 -24.409 1.00 0.00 C ATOM 473 C ALA A 35 44.625 -9.300 -25.490 1.00 0.00 C ATOM 474 O ALA A 35 45.224 -9.203 -26.541 1.00 0.00 O ATOM 475 CB ALA A 35 43.974 -11.308 -24.151 1.00 0.00 C ATOM 0 H ALA A 35 44.567 -9.291 -22.596 1.00 0.00 H new ATOM 0 HA ALA A 35 45.981 -10.787 -24.754 1.00 0.00 H new ATOM 0 HB1 ALA A 35 43.748 -11.840 -25.075 1.00 0.00 H new ATOM 0 HB2 ALA A 35 44.307 -12.019 -23.395 1.00 0.00 H new ATOM 0 HB3 ALA A 35 43.078 -10.797 -23.799 1.00 0.00 H new ATOM 481 N LEU A 36 43.563 -8.583 -25.254 1.00 0.00 N ATOM 482 CA LEU A 36 43.069 -7.619 -26.279 1.00 0.00 C ATOM 483 C LEU A 36 44.227 -6.763 -26.783 1.00 0.00 C ATOM 484 O LEU A 36 44.248 -6.341 -27.922 1.00 0.00 O ATOM 485 CB LEU A 36 42.019 -6.714 -25.649 1.00 0.00 C ATOM 486 CG LEU A 36 42.516 -6.266 -24.278 1.00 0.00 C ATOM 487 CD1 LEU A 36 42.189 -4.793 -24.073 1.00 0.00 C ATOM 488 CD2 LEU A 36 41.827 -7.088 -23.197 1.00 0.00 C ATOM 0 H LEU A 36 43.014 -8.622 -24.395 1.00 0.00 H new ATOM 0 HA LEU A 36 42.635 -8.170 -27.113 1.00 0.00 H new ATOM 0 HB2 LEU A 36 41.836 -5.848 -26.286 1.00 0.00 H new ATOM 0 HB3 LEU A 36 41.072 -7.245 -25.552 1.00 0.00 H new ATOM 0 HG LEU A 36 43.595 -6.411 -24.219 1.00 0.00 H new ATOM 0 HD11 LEU A 36 42.545 -4.474 -23.093 1.00 0.00 H new ATOM 0 HD12 LEU A 36 42.678 -4.201 -24.847 1.00 0.00 H new ATOM 0 HD13 LEU A 36 41.110 -4.648 -24.132 1.00 0.00 H new ATOM 0 HD21 LEU A 36 42.181 -6.769 -22.217 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.749 -6.940 -23.259 1.00 0.00 H new ATOM 0 HD23 LEU A 36 42.057 -8.144 -23.340 1.00 0.00 H new ATOM 500 N GLU A 37 45.185 -6.493 -25.947 1.00 0.00 N ATOM 501 CA GLU A 37 46.322 -5.658 -26.378 1.00 0.00 C ATOM 502 C GLU A 37 47.434 -6.551 -26.921 1.00 0.00 C ATOM 503 O GLU A 37 48.245 -6.132 -27.723 1.00 0.00 O ATOM 504 CB GLU A 37 46.818 -4.838 -25.193 1.00 0.00 C ATOM 505 CG GLU A 37 45.706 -3.873 -24.781 1.00 0.00 C ATOM 506 CD GLU A 37 45.985 -3.340 -23.376 1.00 0.00 C ATOM 507 OE1 GLU A 37 47.109 -2.938 -23.128 1.00 0.00 O ATOM 508 OE2 GLU A 37 45.069 -3.344 -22.570 1.00 0.00 O ATOM 0 H GLU A 37 45.225 -6.818 -24.981 1.00 0.00 H new ATOM 0 HA GLU A 37 46.008 -4.978 -27.170 1.00 0.00 H new ATOM 0 HB2 GLU A 37 47.081 -5.492 -24.362 1.00 0.00 H new ATOM 0 HB3 GLU A 37 47.719 -4.287 -25.463 1.00 0.00 H new ATOM 0 HG2 GLU A 37 45.647 -3.047 -25.489 1.00 0.00 H new ATOM 0 HG3 GLU A 37 44.742 -4.382 -24.803 1.00 0.00 H new ATOM 515 N GLN A 38 47.461 -7.788 -26.515 1.00 0.00 N ATOM 516 CA GLN A 38 48.472 -8.713 -27.014 1.00 0.00 C ATOM 517 C GLN A 38 48.279 -8.834 -28.524 1.00 0.00 C ATOM 518 O GLN A 38 49.220 -8.820 -29.291 1.00 0.00 O ATOM 519 CB GLN A 38 48.229 -10.041 -26.315 1.00 0.00 C ATOM 520 CG GLN A 38 48.817 -11.172 -27.122 1.00 0.00 C ATOM 521 CD GLN A 38 50.261 -10.829 -27.488 1.00 0.00 C ATOM 522 OE1 GLN A 38 50.928 -9.999 -26.735 1.00 0.00 O flip ATOM 523 NE2 GLN A 38 50.787 -11.321 -28.467 1.00 0.00 N flip ATOM 0 H GLN A 38 46.805 -8.190 -25.845 1.00 0.00 H new ATOM 0 HA GLN A 38 49.492 -8.381 -26.819 1.00 0.00 H new ATOM 0 HB2 GLN A 38 48.676 -10.024 -25.321 1.00 0.00 H new ATOM 0 HB3 GLN A 38 47.159 -10.199 -26.181 1.00 0.00 H new ATOM 0 HG2 GLN A 38 48.785 -12.099 -26.549 1.00 0.00 H new ATOM 0 HG3 GLN A 38 48.229 -11.335 -28.025 1.00 0.00 H new ATOM 0 HE21 GLN A 38 50.264 -11.970 -29.055 1.00 0.00 H new ATOM 0 HE22 GLN A 38 51.751 -11.085 -28.701 1.00 0.00 H new ATOM 532 N PHE A 39 47.047 -8.923 -28.953 1.00 0.00 N ATOM 533 CA PHE A 39 46.773 -9.010 -30.404 1.00 0.00 C ATOM 534 C PHE A 39 46.607 -7.602 -30.963 1.00 0.00 C ATOM 535 O PHE A 39 47.478 -7.065 -31.618 1.00 0.00 O ATOM 536 CB PHE A 39 45.471 -9.767 -30.683 1.00 0.00 C ATOM 537 CG PHE A 39 44.909 -10.404 -29.436 1.00 0.00 C ATOM 538 CD1 PHE A 39 45.451 -11.594 -28.940 1.00 0.00 C ATOM 539 CD2 PHE A 39 43.820 -9.806 -28.790 1.00 0.00 C ATOM 540 CE1 PHE A 39 44.904 -12.185 -27.793 1.00 0.00 C ATOM 541 CE2 PHE A 39 43.269 -10.396 -27.650 1.00 0.00 C ATOM 542 CZ PHE A 39 43.813 -11.587 -27.150 1.00 0.00 C ATOM 0 H PHE A 39 46.222 -8.939 -28.354 1.00 0.00 H new ATOM 0 HA PHE A 39 47.606 -9.536 -30.869 1.00 0.00 H new ATOM 0 HB2 PHE A 39 44.735 -9.081 -31.103 1.00 0.00 H new ATOM 0 HB3 PHE A 39 45.653 -10.537 -31.433 1.00 0.00 H new ATOM 0 HD1 PHE A 39 46.289 -12.057 -29.440 1.00 0.00 H new ATOM 0 HD2 PHE A 39 43.405 -8.886 -29.174 1.00 0.00 H new ATOM 0 HE1 PHE A 39 45.324 -13.101 -27.405 1.00 0.00 H new ATOM 0 HE2 PHE A 39 42.426 -9.936 -27.155 1.00 0.00 H new ATOM 0 HZ PHE A 39 43.390 -12.044 -26.268 1.00 0.00 H new ATOM 552 N GLY A 40 45.473 -7.010 -30.707 1.00 0.00 N ATOM 553 CA GLY A 40 45.197 -5.642 -31.209 1.00 0.00 C ATOM 554 C GLY A 40 43.680 -5.424 -31.213 1.00 0.00 C ATOM 555 O GLY A 40 43.017 -5.632 -32.210 1.00 0.00 O ATOM 0 H GLY A 40 44.717 -7.426 -30.163 1.00 0.00 H new ATOM 0 HA2 GLY A 40 45.685 -4.900 -30.576 1.00 0.00 H new ATOM 0 HA3 GLY A 40 45.600 -5.518 -32.214 1.00 0.00 H new ATOM 559 N MET A 41 43.121 -5.026 -30.101 1.00 0.00 N ATOM 560 CA MET A 41 41.644 -4.820 -30.039 1.00 0.00 C ATOM 561 C MET A 41 41.282 -4.087 -28.748 1.00 0.00 C ATOM 562 O MET A 41 40.194 -4.232 -28.227 1.00 0.00 O ATOM 563 CB MET A 41 40.957 -6.187 -30.037 1.00 0.00 C ATOM 564 CG MET A 41 41.121 -6.837 -28.656 1.00 0.00 C ATOM 565 SD MET A 41 40.852 -8.621 -28.788 1.00 0.00 S ATOM 566 CE MET A 41 40.101 -8.848 -27.157 1.00 0.00 C ATOM 0 H MET A 41 43.623 -4.835 -29.234 1.00 0.00 H new ATOM 0 HA MET A 41 41.320 -4.231 -30.897 1.00 0.00 H new ATOM 0 HB2 MET A 41 39.899 -6.075 -30.275 1.00 0.00 H new ATOM 0 HB3 MET A 41 41.391 -6.826 -30.806 1.00 0.00 H new ATOM 0 HG2 MET A 41 42.119 -6.638 -28.265 1.00 0.00 H new ATOM 0 HG3 MET A 41 40.411 -6.403 -27.952 1.00 0.00 H new ATOM 0 HE1 MET A 41 40.815 -9.334 -26.492 1.00 0.00 H new ATOM 0 HE2 MET A 41 39.825 -7.877 -26.745 1.00 0.00 H new ATOM 0 HE3 MET A 41 39.210 -9.470 -27.250 1.00 0.00 H new ATOM 576 N TYR A 42 42.186 -3.330 -28.212 1.00 0.00 N ATOM 577 CA TYR A 42 41.897 -2.623 -26.939 1.00 0.00 C ATOM 578 C TYR A 42 41.604 -1.143 -27.210 1.00 0.00 C ATOM 579 O TYR A 42 41.692 -0.311 -26.330 1.00 0.00 O ATOM 580 CB TYR A 42 43.116 -2.770 -26.029 1.00 0.00 C ATOM 581 CG TYR A 42 42.851 -2.117 -24.694 1.00 0.00 C ATOM 582 CD1 TYR A 42 41.558 -2.100 -24.160 1.00 0.00 C ATOM 583 CD2 TYR A 42 43.909 -1.540 -23.982 1.00 0.00 C ATOM 584 CE1 TYR A 42 41.322 -1.509 -22.916 1.00 0.00 C ATOM 585 CE2 TYR A 42 43.674 -0.946 -22.738 1.00 0.00 C ATOM 586 CZ TYR A 42 42.381 -0.930 -22.204 1.00 0.00 C ATOM 587 OH TYR A 42 42.150 -0.344 -20.975 1.00 0.00 O ATOM 0 H TYR A 42 43.116 -3.168 -28.599 1.00 0.00 H new ATOM 0 HA TYR A 42 41.019 -3.054 -26.458 1.00 0.00 H new ATOM 0 HB2 TYR A 42 43.347 -3.826 -25.886 1.00 0.00 H new ATOM 0 HB3 TYR A 42 43.987 -2.313 -26.499 1.00 0.00 H new ATOM 0 HD1 TYR A 42 40.741 -2.544 -24.710 1.00 0.00 H new ATOM 0 HD2 TYR A 42 44.907 -1.554 -24.394 1.00 0.00 H new ATOM 0 HE1 TYR A 42 40.324 -1.498 -22.503 1.00 0.00 H new ATOM 0 HE2 TYR A 42 44.490 -0.500 -22.190 1.00 0.00 H new ATOM 0 HH TYR A 42 42.992 0.008 -20.617 1.00 0.00 H new ATOM 597 N SER A 43 41.267 -0.808 -28.428 1.00 0.00 N ATOM 598 CA SER A 43 40.981 0.619 -28.761 1.00 0.00 C ATOM 599 C SER A 43 39.473 0.841 -28.936 1.00 0.00 C ATOM 600 O SER A 43 38.763 -0.004 -29.448 1.00 0.00 O ATOM 601 CB SER A 43 41.689 0.981 -30.056 1.00 0.00 C ATOM 602 OG SER A 43 42.609 2.036 -29.814 1.00 0.00 O ATOM 0 H SER A 43 41.177 -1.461 -29.207 1.00 0.00 H new ATOM 0 HA SER A 43 41.338 1.248 -27.945 1.00 0.00 H new ATOM 0 HB2 SER A 43 42.213 0.111 -30.452 1.00 0.00 H new ATOM 0 HB3 SER A 43 40.961 1.284 -30.808 1.00 0.00 H new ATOM 0 HG SER A 43 43.067 2.269 -30.649 1.00 0.00 H new ATOM 608 N GLU A 44 38.981 1.981 -28.525 1.00 0.00 N ATOM 609 CA GLU A 44 37.530 2.278 -28.678 1.00 0.00 C ATOM 610 C GLU A 44 37.069 1.893 -30.082 1.00 0.00 C ATOM 611 O GLU A 44 36.263 1.013 -30.249 1.00 0.00 O ATOM 612 CB GLU A 44 37.291 3.775 -28.457 1.00 0.00 C ATOM 613 CG GLU A 44 36.472 3.981 -27.180 1.00 0.00 C ATOM 614 CD GLU A 44 36.848 5.319 -26.541 1.00 0.00 C ATOM 615 OE1 GLU A 44 37.824 5.350 -25.809 1.00 0.00 O ATOM 616 OE2 GLU A 44 36.155 6.290 -26.795 1.00 0.00 O ATOM 0 H GLU A 44 39.528 2.722 -28.087 1.00 0.00 H new ATOM 0 HA GLU A 44 36.966 1.704 -27.943 1.00 0.00 H new ATOM 0 HB2 GLU A 44 38.244 4.298 -28.378 1.00 0.00 H new ATOM 0 HB3 GLU A 44 36.764 4.200 -29.312 1.00 0.00 H new ATOM 0 HG2 GLU A 44 35.407 3.963 -27.412 1.00 0.00 H new ATOM 0 HG3 GLU A 44 36.659 3.167 -26.480 1.00 0.00 H new ATOM 623 N ASP A 45 37.561 2.548 -31.094 1.00 0.00 N ATOM 624 CA ASP A 45 37.125 2.211 -32.475 1.00 0.00 C ATOM 625 C ASP A 45 37.210 0.698 -32.718 1.00 0.00 C ATOM 626 O ASP A 45 36.437 0.142 -33.471 1.00 0.00 O ATOM 627 CB ASP A 45 38.007 2.937 -33.478 1.00 0.00 C ATOM 628 CG ASP A 45 37.440 2.751 -34.887 1.00 0.00 C ATOM 629 OD1 ASP A 45 36.512 1.972 -35.033 1.00 0.00 O ATOM 630 OD2 ASP A 45 37.944 3.390 -35.795 1.00 0.00 O ATOM 0 H ASP A 45 38.245 3.301 -31.025 1.00 0.00 H new ATOM 0 HA ASP A 45 36.089 2.525 -32.598 1.00 0.00 H new ATOM 0 HB2 ASP A 45 38.058 3.998 -33.232 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.025 2.550 -33.430 1.00 0.00 H new ATOM 635 N ALA A 46 38.144 0.029 -32.097 1.00 0.00 N ATOM 636 CA ALA A 46 38.273 -1.445 -32.308 1.00 0.00 C ATOM 637 C ALA A 46 37.035 -2.163 -31.778 1.00 0.00 C ATOM 638 O ALA A 46 36.165 -2.561 -32.526 1.00 0.00 O ATOM 639 CB ALA A 46 39.513 -1.961 -31.574 1.00 0.00 C ATOM 0 H ALA A 46 38.823 0.437 -31.454 1.00 0.00 H new ATOM 0 HA ALA A 46 38.369 -1.642 -33.376 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.606 -3.036 -31.728 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.400 -1.460 -31.962 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.417 -1.755 -30.508 1.00 0.00 H new ATOM 645 N ILE A 47 36.962 -2.340 -30.497 1.00 0.00 N ATOM 646 CA ILE A 47 35.796 -3.039 -29.897 1.00 0.00 C ATOM 647 C ILE A 47 34.504 -2.316 -30.261 1.00 0.00 C ATOM 648 O ILE A 47 33.420 -2.851 -30.139 1.00 0.00 O ATOM 649 CB ILE A 47 35.977 -3.040 -28.393 1.00 0.00 C ATOM 650 CG1 ILE A 47 34.844 -3.816 -27.736 1.00 0.00 C ATOM 651 CG2 ILE A 47 35.958 -1.608 -27.867 1.00 0.00 C ATOM 652 CD1 ILE A 47 34.933 -3.636 -26.222 1.00 0.00 C ATOM 0 H ILE A 47 37.667 -2.028 -29.829 1.00 0.00 H new ATOM 0 HA ILE A 47 35.735 -4.059 -30.276 1.00 0.00 H new ATOM 0 HB ILE A 47 36.932 -3.508 -28.157 1.00 0.00 H new ATOM 0 HG12 ILE A 47 33.881 -3.459 -28.102 1.00 0.00 H new ATOM 0 HG13 ILE A 47 34.912 -4.873 -27.994 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.089 -1.616 -26.785 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.768 -1.041 -28.326 1.00 0.00 H new ATOM 0 HG23 ILE A 47 35.004 -1.142 -28.114 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.125 -4.188 -25.742 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.892 -4.013 -25.866 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.845 -2.578 -25.976 1.00 0.00 H new ATOM 664 N ILE A 48 34.616 -1.107 -30.711 1.00 0.00 N ATOM 665 CA ILE A 48 33.406 -0.334 -31.094 1.00 0.00 C ATOM 666 C ILE A 48 32.843 -0.924 -32.390 1.00 0.00 C ATOM 667 O ILE A 48 31.648 -1.058 -32.553 1.00 0.00 O ATOM 668 CB ILE A 48 33.790 1.139 -31.273 1.00 0.00 C ATOM 669 CG1 ILE A 48 33.859 1.809 -29.900 1.00 0.00 C ATOM 670 CG2 ILE A 48 32.745 1.860 -32.113 1.00 0.00 C ATOM 671 CD1 ILE A 48 34.474 3.202 -30.044 1.00 0.00 C ATOM 0 H ILE A 48 35.500 -0.613 -30.832 1.00 0.00 H new ATOM 0 HA ILE A 48 32.641 -0.395 -30.320 1.00 0.00 H new ATOM 0 HB ILE A 48 34.756 1.192 -31.774 1.00 0.00 H new ATOM 0 HG12 ILE A 48 32.861 1.883 -29.469 1.00 0.00 H new ATOM 0 HG13 ILE A 48 34.457 1.204 -29.218 1.00 0.00 H new ATOM 0 HG21 ILE A 48 33.031 2.905 -32.232 1.00 0.00 H new ATOM 0 HG22 ILE A 48 32.678 1.389 -33.094 1.00 0.00 H new ATOM 0 HG23 ILE A 48 31.776 1.803 -31.616 1.00 0.00 H new ATOM 0 HD11 ILE A 48 34.524 3.681 -29.066 1.00 0.00 H new ATOM 0 HD12 ILE A 48 35.479 3.115 -30.457 1.00 0.00 H new ATOM 0 HD13 ILE A 48 33.858 3.804 -30.712 1.00 0.00 H new ATOM 683 N TYR A 49 33.700 -1.318 -33.295 1.00 0.00 N ATOM 684 CA TYR A 49 33.221 -1.949 -34.559 1.00 0.00 C ATOM 685 C TYR A 49 33.044 -3.446 -34.307 1.00 0.00 C ATOM 686 O TYR A 49 32.470 -4.160 -35.101 1.00 0.00 O ATOM 687 CB TYR A 49 34.249 -1.743 -35.672 1.00 0.00 C ATOM 688 CG TYR A 49 33.919 -2.686 -36.798 1.00 0.00 C ATOM 689 CD1 TYR A 49 32.996 -2.308 -37.775 1.00 0.00 C ATOM 690 CD2 TYR A 49 34.517 -3.949 -36.848 1.00 0.00 C ATOM 691 CE1 TYR A 49 32.671 -3.190 -38.806 1.00 0.00 C ATOM 692 CE2 TYR A 49 34.196 -4.833 -37.882 1.00 0.00 C ATOM 693 CZ TYR A 49 33.271 -4.455 -38.863 1.00 0.00 C ATOM 694 OH TYR A 49 32.951 -5.326 -39.884 1.00 0.00 O ATOM 0 H TYR A 49 34.713 -1.230 -33.213 1.00 0.00 H new ATOM 0 HA TYR A 49 32.278 -1.496 -34.865 1.00 0.00 H new ATOM 0 HB2 TYR A 49 34.228 -0.711 -36.022 1.00 0.00 H new ATOM 0 HB3 TYR A 49 35.256 -1.933 -35.300 1.00 0.00 H new ATOM 0 HD1 TYR A 49 32.534 -1.333 -37.733 1.00 0.00 H new ATOM 0 HD2 TYR A 49 35.227 -4.241 -36.088 1.00 0.00 H new ATOM 0 HE1 TYR A 49 31.956 -2.897 -39.561 1.00 0.00 H new ATOM 0 HE2 TYR A 49 34.661 -5.807 -37.924 1.00 0.00 H new ATOM 0 HH TYR A 49 33.774 -5.667 -40.293 1.00 0.00 H new ATOM 704 N GLN A 50 33.534 -3.923 -33.203 1.00 0.00 N ATOM 705 CA GLN A 50 33.388 -5.361 -32.888 1.00 0.00 C ATOM 706 C GLN A 50 32.157 -5.514 -31.982 1.00 0.00 C ATOM 707 O GLN A 50 31.650 -6.595 -31.779 1.00 0.00 O ATOM 708 CB GLN A 50 34.687 -5.838 -32.211 1.00 0.00 C ATOM 709 CG GLN A 50 34.445 -6.986 -31.225 1.00 0.00 C ATOM 710 CD GLN A 50 34.591 -8.328 -31.951 1.00 0.00 C ATOM 711 OE1 GLN A 50 35.585 -8.510 -32.779 1.00 0.00 O flip ATOM 712 NE2 GLN A 50 33.793 -9.222 -31.764 1.00 0.00 N flip ATOM 0 H GLN A 50 34.032 -3.374 -32.502 1.00 0.00 H new ATOM 0 HA GLN A 50 33.235 -5.974 -33.777 1.00 0.00 H new ATOM 0 HB2 GLN A 50 35.394 -6.162 -32.975 1.00 0.00 H new ATOM 0 HB3 GLN A 50 35.147 -5.002 -31.685 1.00 0.00 H new ATOM 0 HG2 GLN A 50 35.157 -6.927 -30.402 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.448 -6.902 -30.792 1.00 0.00 H new ATOM 0 HE21 GLN A 50 33.015 -9.085 -31.118 1.00 0.00 H new ATOM 0 HE22 GLN A 50 33.900 -10.111 -32.252 1.00 0.00 H new ATOM 721 N VAL A 51 31.659 -4.417 -31.462 1.00 0.00 N ATOM 722 CA VAL A 51 30.448 -4.463 -30.588 1.00 0.00 C ATOM 723 C VAL A 51 29.228 -4.005 -31.384 1.00 0.00 C ATOM 724 O VAL A 51 28.130 -4.512 -31.233 1.00 0.00 O ATOM 725 CB VAL A 51 30.630 -3.492 -29.429 1.00 0.00 C ATOM 726 CG1 VAL A 51 29.313 -3.359 -28.660 1.00 0.00 C ATOM 727 CG2 VAL A 51 31.715 -4.009 -28.487 1.00 0.00 C ATOM 0 H VAL A 51 32.045 -3.484 -31.608 1.00 0.00 H new ATOM 0 HA VAL A 51 30.310 -5.481 -30.225 1.00 0.00 H new ATOM 0 HB VAL A 51 30.925 -2.519 -29.821 1.00 0.00 H new ATOM 0 HG11 VAL A 51 29.444 -2.664 -27.831 1.00 0.00 H new ATOM 0 HG12 VAL A 51 28.538 -2.984 -29.328 1.00 0.00 H new ATOM 0 HG13 VAL A 51 29.018 -4.334 -28.273 1.00 0.00 H new ATOM 0 HG21 VAL A 51 31.841 -3.311 -27.660 1.00 0.00 H new ATOM 0 HG22 VAL A 51 31.424 -4.985 -28.097 1.00 0.00 H new ATOM 0 HG23 VAL A 51 32.655 -4.101 -29.031 1.00 0.00 H new ATOM 737 N GLN A 52 29.423 -3.038 -32.232 1.00 0.00 N ATOM 738 CA GLN A 52 28.316 -2.510 -33.045 1.00 0.00 C ATOM 739 C GLN A 52 27.866 -3.585 -33.994 1.00 0.00 C ATOM 740 O GLN A 52 26.853 -3.467 -34.653 1.00 0.00 O ATOM 741 CB GLN A 52 28.821 -1.340 -33.853 1.00 0.00 C ATOM 742 CG GLN A 52 28.005 -0.090 -33.521 1.00 0.00 C ATOM 743 CD GLN A 52 28.868 1.156 -33.730 1.00 0.00 C ATOM 744 OE1 GLN A 52 29.968 1.296 -33.042 1.00 0.00 O flip ATOM 745 NE2 GLN A 52 28.537 2.012 -34.525 1.00 0.00 N flip ATOM 0 H GLN A 52 30.324 -2.588 -32.393 1.00 0.00 H new ATOM 0 HA GLN A 52 27.493 -2.198 -32.403 1.00 0.00 H new ATOM 0 HB2 GLN A 52 29.875 -1.165 -33.637 1.00 0.00 H new ATOM 0 HB3 GLN A 52 28.746 -1.562 -34.917 1.00 0.00 H new ATOM 0 HG2 GLN A 52 27.120 -0.042 -34.155 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.656 -0.134 -32.489 1.00 0.00 H new ATOM 0 HE21 GLN A 52 27.677 1.903 -35.063 1.00 0.00 H new ATOM 0 HE22 GLN A 52 29.119 2.840 -34.655 1.00 0.00 H new ATOM 754 N HIS A 53 28.622 -4.631 -34.096 1.00 0.00 N ATOM 755 CA HIS A 53 28.238 -5.676 -35.017 1.00 0.00 C ATOM 756 C HIS A 53 29.036 -6.920 -34.698 1.00 0.00 C ATOM 757 O HIS A 53 29.458 -7.647 -35.575 1.00 0.00 O ATOM 758 CB HIS A 53 28.494 -5.232 -36.448 1.00 0.00 C ATOM 759 CG HIS A 53 29.282 -3.934 -36.536 1.00 0.00 C ATOM 760 ND1 HIS A 53 30.165 -3.299 -35.685 1.00 0.00 N flip ATOM 761 CD2 HIS A 53 29.184 -3.107 -37.646 1.00 0.00 C flip ATOM 762 CE1 HIS A 53 30.597 -2.109 -36.258 1.00 0.00 C flip ATOM 763 NE2 HIS A 53 29.978 -2.042 -37.436 1.00 0.00 N flip ATOM 0 H HIS A 53 29.484 -4.792 -33.575 1.00 0.00 H new ATOM 0 HA HIS A 53 27.174 -5.889 -34.914 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.037 -6.017 -36.974 1.00 0.00 H new ATOM 0 HB3 HIS A 53 27.540 -5.107 -36.960 1.00 0.00 H new ATOM 0 HD2 HIS A 53 28.578 -3.287 -38.522 1.00 0.00 H new ATOM 0 HE1 HIS A 53 31.287 -1.392 -35.838 1.00 0.00 H new ATOM 0 HE2 HIS A 53 30.093 -1.275 -38.099 1.00 0.00 H new ATOM 771 N GLY A 54 29.246 -7.169 -33.436 1.00 0.00 N ATOM 772 CA GLY A 54 30.017 -8.364 -33.048 1.00 0.00 C ATOM 773 C GLY A 54 31.235 -8.464 -33.936 1.00 0.00 C ATOM 774 O GLY A 54 31.937 -7.504 -34.175 1.00 0.00 O ATOM 0 H GLY A 54 28.914 -6.593 -32.663 1.00 0.00 H new ATOM 0 HA2 GLY A 54 30.316 -8.297 -32.002 1.00 0.00 H new ATOM 0 HA3 GLY A 54 29.403 -9.259 -33.147 1.00 0.00 H new ATOM 778 N LYS A 55 31.447 -9.630 -34.420 1.00 0.00 N ATOM 779 CA LYS A 55 32.596 -9.919 -35.329 1.00 0.00 C ATOM 780 C LYS A 55 32.942 -11.402 -35.230 1.00 0.00 C ATOM 781 O LYS A 55 33.161 -11.929 -34.158 1.00 0.00 O ATOM 782 CB LYS A 55 33.809 -9.076 -34.936 1.00 0.00 C ATOM 783 CG LYS A 55 34.114 -8.033 -36.028 1.00 0.00 C ATOM 784 CD LYS A 55 32.824 -7.456 -36.638 1.00 0.00 C ATOM 785 CE LYS A 55 32.799 -7.748 -38.140 1.00 0.00 C ATOM 786 NZ LYS A 55 31.460 -7.398 -38.692 1.00 0.00 N ATOM 0 H LYS A 55 30.856 -10.438 -34.225 1.00 0.00 H new ATOM 0 HA LYS A 55 32.320 -9.669 -36.353 1.00 0.00 H new ATOM 0 HB2 LYS A 55 33.619 -8.574 -33.987 1.00 0.00 H new ATOM 0 HB3 LYS A 55 34.675 -9.721 -34.788 1.00 0.00 H new ATOM 0 HG2 LYS A 55 34.709 -7.225 -35.603 1.00 0.00 H new ATOM 0 HG3 LYS A 55 34.714 -8.493 -36.813 1.00 0.00 H new ATOM 0 HD2 LYS A 55 31.951 -7.897 -36.156 1.00 0.00 H new ATOM 0 HD3 LYS A 55 32.775 -6.381 -36.464 1.00 0.00 H new ATOM 0 HE2 LYS A 55 33.574 -7.173 -38.646 1.00 0.00 H new ATOM 0 HE3 LYS A 55 33.014 -8.801 -38.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 31.097 -8.194 -39.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 30.804 -7.199 -37.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 31.543 -6.556 -39.297 1.00 0.00 H new ATOM 800 N ASN A 56 32.978 -12.079 -36.345 1.00 0.00 N ATOM 801 CA ASN A 56 33.294 -13.534 -36.335 1.00 0.00 C ATOM 802 C ASN A 56 32.186 -14.294 -35.599 1.00 0.00 C ATOM 803 O ASN A 56 31.254 -14.788 -36.203 1.00 0.00 O ATOM 804 CB ASN A 56 34.635 -13.774 -35.638 1.00 0.00 C ATOM 805 CG ASN A 56 35.758 -13.158 -36.474 1.00 0.00 C ATOM 806 OD1 ASN A 56 35.986 -13.560 -37.597 1.00 0.00 O ATOM 807 ND2 ASN A 56 36.475 -12.192 -35.968 1.00 0.00 N ATOM 0 H ASN A 56 32.801 -11.683 -37.268 1.00 0.00 H new ATOM 0 HA ASN A 56 33.359 -13.893 -37.362 1.00 0.00 H new ATOM 0 HB2 ASN A 56 34.624 -13.332 -34.642 1.00 0.00 H new ATOM 0 HB3 ASN A 56 34.805 -14.843 -35.511 1.00 0.00 H new ATOM 0 HD21 ASN A 56 37.227 -11.774 -36.516 1.00 0.00 H new ATOM 0 HD22 ASN A 56 36.283 -11.855 -35.025 1.00 0.00 H new ATOM 814 N ALA A 57 32.279 -14.394 -34.298 1.00 0.00 N ATOM 815 CA ALA A 57 31.227 -15.122 -33.530 1.00 0.00 C ATOM 816 C ALA A 57 30.678 -14.215 -32.424 1.00 0.00 C ATOM 817 O ALA A 57 30.381 -14.659 -31.333 1.00 0.00 O ATOM 818 CB ALA A 57 31.834 -16.379 -32.902 1.00 0.00 C ATOM 0 H ALA A 57 33.036 -14.004 -33.736 1.00 0.00 H new ATOM 0 HA ALA A 57 30.417 -15.404 -34.203 1.00 0.00 H new ATOM 0 HB1 ALA A 57 31.067 -16.912 -32.341 1.00 0.00 H new ATOM 0 HB2 ALA A 57 32.224 -17.026 -33.688 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.644 -16.095 -32.230 1.00 0.00 H new ATOM 824 N MET A 58 30.540 -12.947 -32.700 1.00 0.00 N ATOM 825 CA MET A 58 30.011 -12.009 -31.670 1.00 0.00 C ATOM 826 C MET A 58 28.672 -11.431 -32.166 1.00 0.00 C ATOM 827 O MET A 58 28.507 -11.190 -33.345 1.00 0.00 O ATOM 828 CB MET A 58 31.042 -10.895 -31.443 1.00 0.00 C ATOM 829 CG MET A 58 30.548 -9.945 -30.356 1.00 0.00 C ATOM 830 SD MET A 58 31.773 -8.663 -30.031 1.00 0.00 S ATOM 831 CE MET A 58 30.651 -7.553 -29.152 1.00 0.00 C ATOM 0 H MET A 58 30.771 -12.519 -33.597 1.00 0.00 H new ATOM 0 HA MET A 58 29.839 -12.524 -30.725 1.00 0.00 H new ATOM 0 HB2 MET A 58 32.000 -11.327 -31.153 1.00 0.00 H new ATOM 0 HB3 MET A 58 31.208 -10.346 -32.370 1.00 0.00 H new ATOM 0 HG2 MET A 58 29.608 -9.488 -30.665 1.00 0.00 H new ATOM 0 HG3 MET A 58 30.346 -10.503 -29.442 1.00 0.00 H new ATOM 0 HE1 MET A 58 31.157 -6.609 -28.950 1.00 0.00 H new ATOM 0 HE2 MET A 58 29.769 -7.367 -29.765 1.00 0.00 H new ATOM 0 HE3 MET A 58 30.349 -8.012 -28.211 1.00 0.00 H new ATOM 841 N PRO A 59 27.745 -11.259 -31.251 1.00 0.00 N ATOM 842 CA PRO A 59 26.394 -10.749 -31.564 1.00 0.00 C ATOM 843 C PRO A 59 26.374 -9.261 -31.934 1.00 0.00 C ATOM 844 O PRO A 59 26.449 -8.389 -31.092 1.00 0.00 O ATOM 845 CB PRO A 59 25.598 -11.033 -30.285 1.00 0.00 C ATOM 846 CG PRO A 59 26.624 -11.199 -29.149 1.00 0.00 C ATOM 847 CD PRO A 59 27.958 -11.550 -29.816 1.00 0.00 C ATOM 0 HA PRO A 59 25.975 -11.232 -32.447 1.00 0.00 H new ATOM 0 HB2 PRO A 59 24.910 -10.215 -30.068 1.00 0.00 H new ATOM 0 HB3 PRO A 59 24.996 -11.935 -30.397 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.711 -10.281 -28.567 1.00 0.00 H new ATOM 0 HG3 PRO A 59 26.316 -11.985 -28.460 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.774 -10.954 -29.408 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.217 -12.597 -29.658 1.00 0.00 H new ATOM 855 N ALA A 60 26.248 -8.983 -33.209 1.00 0.00 N ATOM 856 CA ALA A 60 26.188 -7.588 -33.697 1.00 0.00 C ATOM 857 C ALA A 60 25.013 -6.851 -33.058 1.00 0.00 C ATOM 858 O ALA A 60 23.870 -7.082 -33.401 1.00 0.00 O ATOM 859 CB ALA A 60 25.983 -7.631 -35.216 1.00 0.00 C ATOM 0 H ALA A 60 26.183 -9.689 -33.942 1.00 0.00 H new ATOM 0 HA ALA A 60 27.109 -7.066 -33.438 1.00 0.00 H new ATOM 0 HB1 ALA A 60 25.935 -6.614 -35.606 1.00 0.00 H new ATOM 0 HB2 ALA A 60 26.816 -8.158 -35.681 1.00 0.00 H new ATOM 0 HB3 ALA A 60 25.052 -8.151 -35.443 1.00 0.00 H new ATOM 865 N PHE A 61 25.271 -5.949 -32.149 1.00 0.00 N ATOM 866 CA PHE A 61 24.163 -5.205 -31.535 1.00 0.00 C ATOM 867 C PHE A 61 23.695 -4.142 -32.524 1.00 0.00 C ATOM 868 O PHE A 61 22.516 -3.901 -32.690 1.00 0.00 O ATOM 869 CB PHE A 61 24.659 -4.545 -30.251 1.00 0.00 C ATOM 870 CG PHE A 61 25.121 -5.616 -29.294 1.00 0.00 C ATOM 871 CD1 PHE A 61 24.181 -6.457 -28.698 1.00 0.00 C ATOM 872 CD2 PHE A 61 26.481 -5.771 -29.006 1.00 0.00 C ATOM 873 CE1 PHE A 61 24.593 -7.454 -27.811 1.00 0.00 C ATOM 874 CE2 PHE A 61 26.897 -6.770 -28.117 1.00 0.00 C ATOM 875 CZ PHE A 61 25.950 -7.611 -27.519 1.00 0.00 C ATOM 0 H PHE A 61 26.203 -5.704 -31.814 1.00 0.00 H new ATOM 0 HA PHE A 61 23.336 -5.872 -31.294 1.00 0.00 H new ATOM 0 HB2 PHE A 61 25.477 -3.859 -30.472 1.00 0.00 H new ATOM 0 HB3 PHE A 61 23.862 -3.955 -29.799 1.00 0.00 H new ATOM 0 HD1 PHE A 61 23.132 -6.337 -28.923 1.00 0.00 H new ATOM 0 HD2 PHE A 61 27.209 -5.121 -29.469 1.00 0.00 H new ATOM 0 HE1 PHE A 61 23.863 -8.103 -27.351 1.00 0.00 H new ATOM 0 HE2 PHE A 61 27.946 -6.892 -27.893 1.00 0.00 H new ATOM 0 HZ PHE A 61 26.269 -8.381 -26.832 1.00 0.00 H new ATOM 885 N ALA A 62 24.625 -3.502 -33.181 1.00 0.00 N ATOM 886 CA ALA A 62 24.266 -2.444 -34.167 1.00 0.00 C ATOM 887 C ALA A 62 23.255 -1.486 -33.541 1.00 0.00 C ATOM 888 O ALA A 62 22.557 -0.767 -34.228 1.00 0.00 O ATOM 889 CB ALA A 62 23.658 -3.087 -35.416 1.00 0.00 C ATOM 0 H ALA A 62 25.626 -3.669 -33.075 1.00 0.00 H new ATOM 0 HA ALA A 62 25.164 -1.893 -34.447 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.397 -2.310 -36.135 1.00 0.00 H new ATOM 0 HB2 ALA A 62 24.382 -3.767 -35.864 1.00 0.00 H new ATOM 0 HB3 ALA A 62 22.761 -3.642 -35.140 1.00 0.00 H new ATOM 895 N GLY A 63 23.166 -1.475 -32.240 1.00 0.00 N ATOM 896 CA GLY A 63 22.199 -0.573 -31.570 1.00 0.00 C ATOM 897 C GLY A 63 21.275 -1.425 -30.721 1.00 0.00 C ATOM 898 O GLY A 63 20.074 -1.240 -30.694 1.00 0.00 O ATOM 0 H GLY A 63 23.724 -2.055 -31.614 1.00 0.00 H new ATOM 0 HA2 GLY A 63 22.723 0.155 -30.950 1.00 0.00 H new ATOM 0 HA3 GLY A 63 21.628 -0.011 -32.308 1.00 0.00 H new ATOM 902 N ARG A 64 21.841 -2.354 -30.016 1.00 0.00 N ATOM 903 CA ARG A 64 21.037 -3.234 -29.146 1.00 0.00 C ATOM 904 C ARG A 64 21.233 -2.721 -27.746 1.00 0.00 C ATOM 905 O ARG A 64 20.299 -2.383 -27.047 1.00 0.00 O ATOM 906 CB ARG A 64 21.561 -4.654 -29.248 1.00 0.00 C ATOM 907 CG ARG A 64 20.406 -5.636 -29.114 1.00 0.00 C ATOM 908 CD ARG A 64 20.973 -7.042 -29.210 1.00 0.00 C ATOM 909 NE ARG A 64 19.862 -8.022 -29.369 1.00 0.00 N ATOM 910 CZ ARG A 64 19.564 -8.831 -28.390 1.00 0.00 C ATOM 911 NH1 ARG A 64 20.502 -9.541 -27.823 1.00 0.00 N ATOM 912 NH2 ARG A 64 18.331 -8.928 -27.975 1.00 0.00 N ATOM 0 H ARG A 64 22.844 -2.542 -30.007 1.00 0.00 H new ATOM 0 HA ARG A 64 19.984 -3.235 -29.429 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.065 -4.798 -30.204 1.00 0.00 H new ATOM 0 HB3 ARG A 64 22.299 -4.837 -28.467 1.00 0.00 H new ATOM 0 HG2 ARG A 64 19.895 -5.495 -28.162 1.00 0.00 H new ATOM 0 HG3 ARG A 64 19.669 -5.468 -29.899 1.00 0.00 H new ATOM 0 HD2 ARG A 64 21.656 -7.112 -30.056 1.00 0.00 H new ATOM 0 HD3 ARG A 64 21.550 -7.274 -28.315 1.00 0.00 H new ATOM 0 HE ARG A 64 19.335 -8.060 -30.242 1.00 0.00 H new ATOM 0 HH11 ARG A 64 21.466 -9.463 -28.146 1.00 0.00 H new ATOM 0 HH12 ARG A 64 20.270 -10.174 -27.057 1.00 0.00 H new ATOM 0 HH21 ARG A 64 17.599 -8.371 -28.416 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.099 -9.561 -27.209 1.00 0.00 H new ATOM 926 N LEU A 65 22.469 -2.611 -27.356 1.00 0.00 N ATOM 927 CA LEU A 65 22.755 -2.053 -26.023 1.00 0.00 C ATOM 928 C LEU A 65 22.222 -0.626 -26.032 1.00 0.00 C ATOM 929 O LEU A 65 21.247 -0.312 -26.685 1.00 0.00 O ATOM 930 CB LEU A 65 24.272 -2.027 -25.764 1.00 0.00 C ATOM 931 CG LEU A 65 24.941 -3.375 -26.092 1.00 0.00 C ATOM 932 CD1 LEU A 65 23.912 -4.508 -26.159 1.00 0.00 C ATOM 933 CD2 LEU A 65 25.660 -3.260 -27.437 1.00 0.00 C ATOM 0 H LEU A 65 23.285 -2.883 -27.904 1.00 0.00 H new ATOM 0 HA LEU A 65 22.291 -2.657 -25.243 1.00 0.00 H new ATOM 0 HB2 LEU A 65 24.728 -1.241 -26.366 1.00 0.00 H new ATOM 0 HB3 LEU A 65 24.456 -1.776 -24.719 1.00 0.00 H new ATOM 0 HG LEU A 65 25.651 -3.610 -25.299 1.00 0.00 H new ATOM 0 HD11 LEU A 65 24.417 -5.445 -26.392 1.00 0.00 H new ATOM 0 HD12 LEU A 65 23.407 -4.598 -25.197 1.00 0.00 H new ATOM 0 HD13 LEU A 65 23.179 -4.288 -26.935 1.00 0.00 H new ATOM 0 HD21 LEU A 65 26.137 -4.210 -27.677 1.00 0.00 H new ATOM 0 HD22 LEU A 65 24.939 -3.009 -28.215 1.00 0.00 H new ATOM 0 HD23 LEU A 65 26.418 -2.479 -27.379 1.00 0.00 H new ATOM 945 N THR A 66 22.870 0.240 -25.343 1.00 0.00 N ATOM 946 CA THR A 66 22.433 1.658 -25.329 1.00 0.00 C ATOM 947 C THR A 66 23.278 2.425 -26.343 1.00 0.00 C ATOM 948 O THR A 66 24.389 2.043 -26.640 1.00 0.00 O ATOM 949 CB THR A 66 22.639 2.253 -23.935 1.00 0.00 C ATOM 950 OG1 THR A 66 21.932 1.480 -22.977 1.00 0.00 O ATOM 951 CG2 THR A 66 22.122 3.684 -23.923 1.00 0.00 C ATOM 0 H THR A 66 23.695 0.035 -24.779 1.00 0.00 H new ATOM 0 HA THR A 66 21.376 1.727 -25.585 1.00 0.00 H new ATOM 0 HB THR A 66 23.700 2.245 -23.686 1.00 0.00 H new ATOM 0 HG1 THR A 66 22.382 1.544 -22.109 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.266 4.114 -22.932 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.669 4.275 -24.658 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.060 3.689 -24.170 1.00 0.00 H new ATOM 959 N ASP A 67 22.777 3.503 -26.873 1.00 0.00 N ATOM 960 CA ASP A 67 23.575 4.279 -27.855 1.00 0.00 C ATOM 961 C ASP A 67 24.820 4.807 -27.150 1.00 0.00 C ATOM 962 O ASP A 67 25.951 4.587 -27.568 1.00 0.00 O ATOM 963 CB ASP A 67 22.745 5.453 -28.381 1.00 0.00 C ATOM 964 CG ASP A 67 23.215 5.815 -29.792 1.00 0.00 C ATOM 965 OD1 ASP A 67 23.550 4.906 -30.535 1.00 0.00 O ATOM 966 OD2 ASP A 67 23.233 6.993 -30.105 1.00 0.00 O ATOM 0 H ASP A 67 21.851 3.879 -26.668 1.00 0.00 H new ATOM 0 HA ASP A 67 23.858 3.644 -28.694 1.00 0.00 H new ATOM 0 HB2 ASP A 67 21.688 5.188 -28.395 1.00 0.00 H new ATOM 0 HB3 ASP A 67 22.850 6.313 -27.719 1.00 0.00 H new ATOM 971 N GLU A 68 24.607 5.484 -26.060 1.00 0.00 N ATOM 972 CA GLU A 68 25.734 6.045 -25.274 1.00 0.00 C ATOM 973 C GLU A 68 26.607 4.931 -24.696 1.00 0.00 C ATOM 974 O GLU A 68 27.561 5.209 -24.012 1.00 0.00 O ATOM 975 CB GLU A 68 25.166 6.868 -24.124 1.00 0.00 C ATOM 976 CG GLU A 68 26.302 7.299 -23.194 1.00 0.00 C ATOM 977 CD GLU A 68 26.027 8.713 -22.676 1.00 0.00 C ATOM 978 OE1 GLU A 68 25.228 9.402 -23.289 1.00 0.00 O ATOM 979 OE2 GLU A 68 26.620 9.081 -21.675 1.00 0.00 O ATOM 0 H GLU A 68 23.682 5.675 -25.675 1.00 0.00 H new ATOM 0 HA GLU A 68 26.346 6.663 -25.932 1.00 0.00 H new ATOM 0 HB2 GLU A 68 24.647 7.745 -24.512 1.00 0.00 H new ATOM 0 HB3 GLU A 68 24.432 6.282 -23.571 1.00 0.00 H new ATOM 0 HG2 GLU A 68 26.386 6.604 -22.359 1.00 0.00 H new ATOM 0 HG3 GLU A 68 27.252 7.274 -23.727 1.00 0.00 H new ATOM 986 N GLN A 69 26.306 3.683 -24.966 1.00 0.00 N ATOM 987 CA GLN A 69 27.152 2.581 -24.427 1.00 0.00 C ATOM 988 C GLN A 69 27.811 1.854 -25.577 1.00 0.00 C ATOM 989 O GLN A 69 28.903 1.360 -25.462 1.00 0.00 O ATOM 990 CB GLN A 69 26.349 1.634 -23.572 1.00 0.00 C ATOM 991 CG GLN A 69 26.396 2.165 -22.141 1.00 0.00 C ATOM 992 CD GLN A 69 25.291 3.201 -21.985 1.00 0.00 C ATOM 993 OE1 GLN A 69 24.146 2.862 -21.760 1.00 0.00 O ATOM 994 NE2 GLN A 69 25.590 4.459 -22.096 1.00 0.00 N ATOM 0 H GLN A 69 25.513 3.385 -25.534 1.00 0.00 H new ATOM 0 HA GLN A 69 27.921 3.009 -23.784 1.00 0.00 H new ATOM 0 HB2 GLN A 69 25.320 1.575 -23.926 1.00 0.00 H new ATOM 0 HB3 GLN A 69 26.762 0.627 -23.622 1.00 0.00 H new ATOM 0 HG2 GLN A 69 26.259 1.352 -21.428 1.00 0.00 H new ATOM 0 HG3 GLN A 69 27.368 2.611 -21.932 1.00 0.00 H new ATOM 0 HE21 GLN A 69 26.552 4.740 -22.285 1.00 0.00 H new ATOM 0 HE22 GLN A 69 24.863 5.167 -21.994 1.00 0.00 H new ATOM 1003 N ILE A 70 27.240 1.881 -26.742 1.00 0.00 N ATOM 1004 CA ILE A 70 28.003 1.291 -27.858 1.00 0.00 C ATOM 1005 C ILE A 70 29.291 2.121 -27.883 1.00 0.00 C ATOM 1006 O ILE A 70 30.325 1.713 -28.373 1.00 0.00 O ATOM 1007 CB ILE A 70 27.232 1.429 -29.164 1.00 0.00 C ATOM 1008 CG1 ILE A 70 25.874 0.748 -29.005 1.00 0.00 C ATOM 1009 CG2 ILE A 70 28.014 0.759 -30.294 1.00 0.00 C ATOM 1010 CD1 ILE A 70 24.783 1.715 -29.431 1.00 0.00 C ATOM 0 H ILE A 70 26.322 2.267 -26.962 1.00 0.00 H new ATOM 0 HA ILE A 70 28.192 0.224 -27.737 1.00 0.00 H new ATOM 0 HB ILE A 70 27.093 2.483 -29.405 1.00 0.00 H new ATOM 0 HG12 ILE A 70 25.833 -0.157 -29.612 1.00 0.00 H new ATOM 0 HG13 ILE A 70 25.724 0.444 -27.969 1.00 0.00 H new ATOM 0 HG21 ILE A 70 27.461 0.859 -31.228 1.00 0.00 H new ATOM 0 HG22 ILE A 70 28.988 1.238 -30.396 1.00 0.00 H new ATOM 0 HG23 ILE A 70 28.151 -0.298 -30.065 1.00 0.00 H new ATOM 0 HD11 ILE A 70 23.810 1.237 -29.321 1.00 0.00 H new ATOM 0 HD12 ILE A 70 24.822 2.607 -28.805 1.00 0.00 H new ATOM 0 HD13 ILE A 70 24.933 1.996 -30.473 1.00 0.00 H new ATOM 1022 N GLN A 71 29.201 3.295 -27.276 1.00 0.00 N ATOM 1023 CA GLN A 71 30.337 4.209 -27.140 1.00 0.00 C ATOM 1024 C GLN A 71 30.948 4.013 -25.754 1.00 0.00 C ATOM 1025 O GLN A 71 32.061 3.555 -25.597 1.00 0.00 O ATOM 1026 CB GLN A 71 29.779 5.621 -27.208 1.00 0.00 C ATOM 1027 CG GLN A 71 29.710 6.082 -28.664 1.00 0.00 C ATOM 1028 CD GLN A 71 28.982 5.027 -29.499 1.00 0.00 C ATOM 1029 OE1 GLN A 71 27.678 5.004 -29.503 1.00 0.00 O flip ATOM 1030 NE2 GLN A 71 29.606 4.215 -30.152 1.00 0.00 N flip ATOM 0 H GLN A 71 28.338 3.646 -26.861 1.00 0.00 H new ATOM 0 HA GLN A 71 31.084 4.031 -27.914 1.00 0.00 H new ATOM 0 HB2 GLN A 71 28.786 5.651 -26.760 1.00 0.00 H new ATOM 0 HB3 GLN A 71 30.409 6.299 -26.632 1.00 0.00 H new ATOM 0 HG2 GLN A 71 29.188 7.037 -28.730 1.00 0.00 H new ATOM 0 HG3 GLN A 71 30.715 6.240 -29.055 1.00 0.00 H new ATOM 0 HE21 GLN A 71 30.626 4.233 -30.149 1.00 0.00 H new ATOM 0 HE22 GLN A 71 29.110 3.515 -30.704 1.00 0.00 H new ATOM 1039 N ASP A 72 30.198 4.380 -24.752 1.00 0.00 N ATOM 1040 CA ASP A 72 30.653 4.252 -23.348 1.00 0.00 C ATOM 1041 C ASP A 72 31.118 2.827 -23.079 1.00 0.00 C ATOM 1042 O ASP A 72 32.132 2.620 -22.478 1.00 0.00 O ATOM 1043 CB ASP A 72 29.490 4.571 -22.411 1.00 0.00 C ATOM 1044 CG ASP A 72 29.299 6.086 -22.321 1.00 0.00 C ATOM 1045 OD1 ASP A 72 29.818 6.781 -23.178 1.00 0.00 O ATOM 1046 OD2 ASP A 72 28.635 6.524 -21.396 1.00 0.00 O ATOM 0 H ASP A 72 29.263 4.774 -24.856 1.00 0.00 H new ATOM 0 HA ASP A 72 31.478 4.944 -23.178 1.00 0.00 H new ATOM 0 HB2 ASP A 72 28.577 4.101 -22.776 1.00 0.00 H new ATOM 0 HB3 ASP A 72 29.686 4.160 -21.420 1.00 0.00 H new ATOM 1051 N VAL A 73 30.361 1.852 -23.496 1.00 0.00 N ATOM 1052 CA VAL A 73 30.747 0.427 -23.251 1.00 0.00 C ATOM 1053 C VAL A 73 32.142 0.154 -23.837 1.00 0.00 C ATOM 1054 O VAL A 73 32.870 -0.695 -23.361 1.00 0.00 O ATOM 1055 CB VAL A 73 29.715 -0.508 -23.905 1.00 0.00 C ATOM 1056 CG1 VAL A 73 30.112 -0.836 -25.352 1.00 0.00 C ATOM 1057 CG2 VAL A 73 29.646 -1.804 -23.111 1.00 0.00 C ATOM 0 H VAL A 73 29.484 1.978 -24.001 1.00 0.00 H new ATOM 0 HA VAL A 73 30.771 0.242 -22.177 1.00 0.00 H new ATOM 0 HB VAL A 73 28.747 -0.007 -23.910 1.00 0.00 H new ATOM 0 HG11 VAL A 73 29.367 -1.498 -25.793 1.00 0.00 H new ATOM 0 HG12 VAL A 73 30.167 0.085 -25.932 1.00 0.00 H new ATOM 0 HG13 VAL A 73 31.085 -1.328 -25.360 1.00 0.00 H new ATOM 0 HG21 VAL A 73 28.916 -2.472 -23.568 1.00 0.00 H new ATOM 0 HG22 VAL A 73 30.625 -2.282 -23.109 1.00 0.00 H new ATOM 0 HG23 VAL A 73 29.347 -1.587 -22.086 1.00 0.00 H new ATOM 1067 N ALA A 74 32.526 0.869 -24.855 1.00 0.00 N ATOM 1068 CA ALA A 74 33.879 0.651 -25.434 1.00 0.00 C ATOM 1069 C ALA A 74 34.871 1.421 -24.570 1.00 0.00 C ATOM 1070 O ALA A 74 35.697 0.852 -23.896 1.00 0.00 O ATOM 1071 CB ALA A 74 33.923 1.164 -26.874 1.00 0.00 C ATOM 0 H ALA A 74 31.966 1.591 -25.309 1.00 0.00 H new ATOM 0 HA ALA A 74 34.126 -0.410 -25.449 1.00 0.00 H new ATOM 0 HB1 ALA A 74 34.918 1.000 -27.289 1.00 0.00 H new ATOM 0 HB2 ALA A 74 33.187 0.629 -27.474 1.00 0.00 H new ATOM 0 HB3 ALA A 74 33.696 2.230 -26.888 1.00 0.00 H new ATOM 1077 N ALA A 75 34.759 2.713 -24.524 1.00 0.00 N ATOM 1078 CA ALA A 75 35.663 3.483 -23.632 1.00 0.00 C ATOM 1079 C ALA A 75 35.581 2.839 -22.239 1.00 0.00 C ATOM 1080 O ALA A 75 36.464 2.960 -21.414 1.00 0.00 O ATOM 1081 CB ALA A 75 35.170 4.932 -23.562 1.00 0.00 C ATOM 0 H ALA A 75 34.089 3.266 -25.058 1.00 0.00 H new ATOM 0 HA ALA A 75 36.689 3.474 -23.999 1.00 0.00 H new ATOM 0 HB1 ALA A 75 35.826 5.508 -22.910 1.00 0.00 H new ATOM 0 HB2 ALA A 75 35.178 5.368 -24.561 1.00 0.00 H new ATOM 0 HB3 ALA A 75 34.155 4.952 -23.165 1.00 0.00 H new ATOM 1087 N TYR A 76 34.500 2.144 -22.005 1.00 0.00 N ATOM 1088 CA TYR A 76 34.250 1.452 -20.714 1.00 0.00 C ATOM 1089 C TYR A 76 35.231 0.305 -20.546 1.00 0.00 C ATOM 1090 O TYR A 76 35.826 0.142 -19.511 1.00 0.00 O ATOM 1091 CB TYR A 76 32.825 0.903 -20.769 1.00 0.00 C ATOM 1092 CG TYR A 76 32.611 -0.163 -19.742 1.00 0.00 C ATOM 1093 CD1 TYR A 76 32.291 0.207 -18.473 1.00 0.00 C ATOM 1094 CD2 TYR A 76 32.724 -1.504 -20.068 1.00 0.00 C ATOM 1095 CE1 TYR A 76 32.073 -0.739 -17.491 1.00 0.00 C ATOM 1096 CE2 TYR A 76 32.504 -2.475 -19.086 1.00 0.00 C ATOM 1097 CZ TYR A 76 32.176 -2.090 -17.792 1.00 0.00 C ATOM 1098 OH TYR A 76 31.959 -3.040 -16.815 1.00 0.00 O ATOM 0 H TYR A 76 33.751 2.026 -22.688 1.00 0.00 H new ATOM 0 HA TYR A 76 34.375 2.137 -19.875 1.00 0.00 H new ATOM 0 HB2 TYR A 76 32.115 1.714 -20.608 1.00 0.00 H new ATOM 0 HB3 TYR A 76 32.627 0.499 -21.762 1.00 0.00 H new ATOM 0 HD1 TYR A 76 32.206 1.256 -18.230 1.00 0.00 H new ATOM 0 HD2 TYR A 76 32.981 -1.798 -21.075 1.00 0.00 H new ATOM 0 HE1 TYR A 76 31.822 -0.427 -16.488 1.00 0.00 H new ATOM 0 HE2 TYR A 76 32.589 -3.523 -19.333 1.00 0.00 H new ATOM 0 HH TYR A 76 32.819 -3.345 -16.459 1.00 0.00 H new ATOM 1108 N VAL A 77 35.402 -0.488 -21.557 1.00 0.00 N ATOM 1109 CA VAL A 77 36.362 -1.609 -21.451 1.00 0.00 C ATOM 1110 C VAL A 77 37.763 -1.016 -21.387 1.00 0.00 C ATOM 1111 O VAL A 77 38.715 -1.668 -21.013 1.00 0.00 O ATOM 1112 CB VAL A 77 36.223 -2.500 -22.675 1.00 0.00 C ATOM 1113 CG1 VAL A 77 36.103 -1.641 -23.914 1.00 0.00 C ATOM 1114 CG2 VAL A 77 37.444 -3.412 -22.809 1.00 0.00 C ATOM 0 H VAL A 77 34.919 -0.409 -22.452 1.00 0.00 H new ATOM 0 HA VAL A 77 36.170 -2.208 -20.560 1.00 0.00 H new ATOM 0 HB VAL A 77 35.330 -3.115 -22.563 1.00 0.00 H new ATOM 0 HG11 VAL A 77 36.003 -2.280 -24.791 1.00 0.00 H new ATOM 0 HG12 VAL A 77 35.225 -1.001 -23.829 1.00 0.00 H new ATOM 0 HG13 VAL A 77 36.994 -1.022 -24.015 1.00 0.00 H new ATOM 0 HG21 VAL A 77 37.331 -4.044 -23.690 1.00 0.00 H new ATOM 0 HG22 VAL A 77 38.343 -2.804 -22.912 1.00 0.00 H new ATOM 0 HG23 VAL A 77 37.529 -4.038 -21.921 1.00 0.00 H new ATOM 1124 N LEU A 78 37.885 0.234 -21.737 1.00 0.00 N ATOM 1125 CA LEU A 78 39.215 0.901 -21.677 1.00 0.00 C ATOM 1126 C LEU A 78 39.435 1.400 -20.244 1.00 0.00 C ATOM 1127 O LEU A 78 40.534 1.739 -19.850 1.00 0.00 O ATOM 1128 CB LEU A 78 39.255 2.086 -22.651 1.00 0.00 C ATOM 1129 CG LEU A 78 38.649 1.695 -24.009 1.00 0.00 C ATOM 1130 CD1 LEU A 78 39.165 2.655 -25.082 1.00 0.00 C ATOM 1131 CD2 LEU A 78 39.050 0.264 -24.387 1.00 0.00 C ATOM 0 H LEU A 78 37.119 0.824 -22.063 1.00 0.00 H new ATOM 0 HA LEU A 78 39.999 0.197 -21.958 1.00 0.00 H new ATOM 0 HB2 LEU A 78 38.704 2.927 -22.230 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.285 2.416 -22.788 1.00 0.00 H new ATOM 0 HG LEU A 78 37.563 1.751 -23.938 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.739 2.384 -26.048 1.00 0.00 H new ATOM 0 HD12 LEU A 78 38.872 3.674 -24.830 1.00 0.00 H new ATOM 0 HD13 LEU A 78 40.252 2.592 -25.134 1.00 0.00 H new ATOM 0 HD21 LEU A 78 38.611 0.006 -25.351 1.00 0.00 H new ATOM 0 HD22 LEU A 78 40.136 0.196 -24.452 1.00 0.00 H new ATOM 0 HD23 LEU A 78 38.688 -0.428 -23.627 1.00 0.00 H new ATOM 1143 N ASP A 79 38.385 1.440 -19.466 1.00 0.00 N ATOM 1144 CA ASP A 79 38.477 1.897 -18.066 1.00 0.00 C ATOM 1145 C ASP A 79 38.598 0.673 -17.167 1.00 0.00 C ATOM 1146 O ASP A 79 39.330 0.655 -16.198 1.00 0.00 O ATOM 1147 CB ASP A 79 37.188 2.641 -17.723 1.00 0.00 C ATOM 1148 CG ASP A 79 37.491 3.765 -16.730 1.00 0.00 C ATOM 1149 OD1 ASP A 79 38.623 3.842 -16.281 1.00 0.00 O ATOM 1150 OD2 ASP A 79 36.587 4.529 -16.436 1.00 0.00 O ATOM 0 H ASP A 79 37.447 1.166 -19.759 1.00 0.00 H new ATOM 0 HA ASP A 79 39.339 2.549 -17.926 1.00 0.00 H new ATOM 0 HB2 ASP A 79 36.742 3.053 -18.628 1.00 0.00 H new ATOM 0 HB3 ASP A 79 36.461 1.951 -17.295 1.00 0.00 H new ATOM 1155 N GLN A 80 37.865 -0.348 -17.497 1.00 0.00 N ATOM 1156 CA GLN A 80 37.879 -1.587 -16.715 1.00 0.00 C ATOM 1157 C GLN A 80 39.108 -2.414 -17.095 1.00 0.00 C ATOM 1158 O GLN A 80 39.745 -3.033 -16.268 1.00 0.00 O ATOM 1159 CB GLN A 80 36.613 -2.344 -17.047 1.00 0.00 C ATOM 1160 CG GLN A 80 35.422 -1.395 -17.106 1.00 0.00 C ATOM 1161 CD GLN A 80 34.494 -1.684 -15.930 1.00 0.00 C ATOM 1162 OE1 GLN A 80 34.239 -2.827 -15.605 1.00 0.00 O ATOM 1163 NE2 GLN A 80 33.969 -0.689 -15.278 1.00 0.00 N ATOM 0 H GLN A 80 37.241 -0.365 -18.304 1.00 0.00 H new ATOM 0 HA GLN A 80 37.925 -1.378 -15.646 1.00 0.00 H new ATOM 0 HB2 GLN A 80 36.727 -2.853 -18.004 1.00 0.00 H new ATOM 0 HB3 GLN A 80 36.435 -3.114 -16.296 1.00 0.00 H new ATOM 0 HG2 GLN A 80 35.763 -0.361 -17.070 1.00 0.00 H new ATOM 0 HG3 GLN A 80 34.887 -1.521 -18.047 1.00 0.00 H new ATOM 0 HE21 GLN A 80 34.184 0.270 -15.551 1.00 0.00 H new ATOM 0 HE22 GLN A 80 33.343 -0.867 -14.493 1.00 0.00 H new ATOM 1172 N ALA A 81 39.441 -2.413 -18.347 1.00 0.00 N ATOM 1173 CA ALA A 81 40.630 -3.176 -18.818 1.00 0.00 C ATOM 1174 C ALA A 81 41.842 -2.786 -17.974 1.00 0.00 C ATOM 1175 O ALA A 81 42.747 -3.570 -17.766 1.00 0.00 O ATOM 1176 CB ALA A 81 40.901 -2.832 -20.285 1.00 0.00 C ATOM 0 H ALA A 81 38.937 -1.911 -19.078 1.00 0.00 H new ATOM 0 HA ALA A 81 40.445 -4.246 -18.722 1.00 0.00 H new ATOM 0 HB1 ALA A 81 41.771 -3.388 -20.634 1.00 0.00 H new ATOM 0 HB2 ALA A 81 40.033 -3.099 -20.888 1.00 0.00 H new ATOM 0 HB3 ALA A 81 41.092 -1.763 -20.379 1.00 0.00 H new ATOM 1182 N ALA A 82 41.869 -1.576 -17.494 1.00 0.00 N ATOM 1183 CA ALA A 82 43.018 -1.129 -16.676 1.00 0.00 C ATOM 1184 C ALA A 82 42.786 -1.481 -15.203 1.00 0.00 C ATOM 1185 O ALA A 82 43.721 -1.633 -14.443 1.00 0.00 O ATOM 1186 CB ALA A 82 43.188 0.385 -16.818 1.00 0.00 C ATOM 0 H ALA A 82 41.140 -0.877 -17.636 1.00 0.00 H new ATOM 0 HA ALA A 82 43.919 -1.634 -17.024 1.00 0.00 H new ATOM 0 HB1 ALA A 82 44.034 0.714 -16.215 1.00 0.00 H new ATOM 0 HB2 ALA A 82 43.368 0.634 -17.864 1.00 0.00 H new ATOM 0 HB3 ALA A 82 42.283 0.886 -16.476 1.00 0.00 H new ATOM 1192 N LYS A 83 41.552 -1.608 -14.789 1.00 0.00 N ATOM 1193 CA LYS A 83 41.289 -1.941 -13.355 1.00 0.00 C ATOM 1194 C LYS A 83 39.784 -1.961 -13.061 1.00 0.00 C ATOM 1195 O LYS A 83 39.338 -2.568 -12.107 1.00 0.00 O ATOM 1196 CB LYS A 83 41.948 -0.865 -12.473 1.00 0.00 C ATOM 1197 CG LYS A 83 40.946 0.267 -12.157 1.00 0.00 C ATOM 1198 CD LYS A 83 40.526 0.977 -13.449 1.00 0.00 C ATOM 1199 CE LYS A 83 40.861 2.466 -13.340 1.00 0.00 C ATOM 1200 NZ LYS A 83 41.969 2.798 -14.277 1.00 0.00 N ATOM 0 H LYS A 83 40.723 -1.497 -15.373 1.00 0.00 H new ATOM 0 HA LYS A 83 41.699 -2.929 -13.144 1.00 0.00 H new ATOM 0 HB2 LYS A 83 42.302 -1.314 -11.545 1.00 0.00 H new ATOM 0 HB3 LYS A 83 42.820 -0.454 -12.981 1.00 0.00 H new ATOM 0 HG2 LYS A 83 40.069 -0.143 -11.657 1.00 0.00 H new ATOM 0 HG3 LYS A 83 41.399 0.983 -11.471 1.00 0.00 H new ATOM 0 HD2 LYS A 83 41.042 0.538 -14.303 1.00 0.00 H new ATOM 0 HD3 LYS A 83 39.458 0.844 -13.620 1.00 0.00 H new ATOM 0 HE2 LYS A 83 39.981 3.065 -13.574 1.00 0.00 H new ATOM 0 HE3 LYS A 83 41.150 2.710 -12.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 42.196 3.810 -14.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 42.810 2.236 -14.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 41.677 2.580 -15.251 1.00 0.00 H new ATOM 1214 N GLY A 84 39.015 -1.259 -13.833 1.00 0.00 N ATOM 1215 CA GLY A 84 37.557 -1.185 -13.559 1.00 0.00 C ATOM 1216 C GLY A 84 36.923 -2.552 -13.739 1.00 0.00 C ATOM 1217 O GLY A 84 35.797 -2.758 -13.344 1.00 0.00 O ATOM 0 H GLY A 84 39.332 -0.730 -14.646 1.00 0.00 H new ATOM 0 HA2 GLY A 84 37.388 -0.828 -12.543 1.00 0.00 H new ATOM 0 HA3 GLY A 84 37.089 -0.467 -14.232 1.00 0.00 H new ATOM 1221 N TRP A 85 37.617 -3.497 -14.321 1.00 0.00 N ATOM 1222 CA TRP A 85 36.990 -4.825 -14.477 1.00 0.00 C ATOM 1223 C TRP A 85 36.774 -5.376 -13.071 1.00 0.00 C ATOM 1224 O TRP A 85 37.630 -6.035 -12.515 1.00 0.00 O ATOM 1225 CB TRP A 85 37.872 -5.799 -15.276 1.00 0.00 C ATOM 1226 CG TRP A 85 37.822 -5.460 -16.725 1.00 0.00 C ATOM 1227 CD1 TRP A 85 38.876 -5.466 -17.562 1.00 0.00 C ATOM 1228 CD2 TRP A 85 36.681 -5.045 -17.508 1.00 0.00 C ATOM 1229 NE1 TRP A 85 38.445 -5.081 -18.823 1.00 0.00 N ATOM 1230 CE2 TRP A 85 37.098 -4.804 -18.834 1.00 0.00 C ATOM 1231 CE3 TRP A 85 35.336 -4.846 -17.193 1.00 0.00 C ATOM 1232 CZ2 TRP A 85 36.200 -4.375 -19.814 1.00 0.00 C ATOM 1233 CZ3 TRP A 85 34.440 -4.408 -18.163 1.00 0.00 C ATOM 1234 CH2 TRP A 85 34.862 -4.168 -19.471 1.00 0.00 C ATOM 0 H TRP A 85 38.566 -3.403 -14.684 1.00 0.00 H new ATOM 0 HA TRP A 85 36.057 -4.721 -15.030 1.00 0.00 H new ATOM 0 HB2 TRP A 85 38.900 -5.749 -14.918 1.00 0.00 H new ATOM 0 HB3 TRP A 85 37.530 -6.822 -15.122 1.00 0.00 H new ATOM 0 HD1 TRP A 85 39.890 -5.727 -17.296 1.00 0.00 H new ATOM 0 HE1 TRP A 85 39.051 -5.012 -19.640 1.00 0.00 H new ATOM 0 HE3 TRP A 85 34.988 -5.034 -16.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 36.537 -4.205 -20.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 33.404 -4.252 -17.900 1.00 0.00 H new ATOM 0 HH2 TRP A 85 34.158 -3.824 -20.214 1.00 0.00 H new ATOM 1245 N ALA A 86 35.659 -5.082 -12.473 1.00 0.00 N ATOM 1246 CA ALA A 86 35.418 -5.554 -11.089 1.00 0.00 C ATOM 1247 C ALA A 86 35.740 -7.044 -11.000 1.00 0.00 C ATOM 1248 O ALA A 86 36.049 -7.563 -9.945 1.00 0.00 O ATOM 1249 CB ALA A 86 33.954 -5.318 -10.711 1.00 0.00 C ATOM 0 H ALA A 86 34.903 -4.534 -12.884 1.00 0.00 H new ATOM 0 HA ALA A 86 36.057 -5.002 -10.400 1.00 0.00 H new ATOM 0 HB1 ALA A 86 33.780 -5.666 -9.693 1.00 0.00 H new ATOM 0 HB2 ALA A 86 33.729 -4.253 -10.774 1.00 0.00 H new ATOM 0 HB3 ALA A 86 33.308 -5.866 -11.397 1.00 0.00 H new