USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 SER OG : rot 74:sc= 0.753 USER MOD Set 1.2: A 101 HIS :FLIP no HD1:sc= 0.645 F(o=-0.057,f=1.4) USER MOD Set 2.1: A 67 MET CE :methyl 147:sc= -1.4 (180deg=-0.931) USER MOD Set 2.2: A 71 GLN : amide:sc= -1.25 K(o=-2.6,f=-8.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0559 (180deg=-0.363) USER MOD Single : A 10 LYS NZ :NH3+ 164:sc= -0.0424 (180deg=-0.313) USER MOD Single : A 13 SER OG : rot -39:sc= 1.15 USER MOD Single : A 17 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.4!) USER MOD Single : A 21 GLN :FLIP amide:sc= -1.44 F(o=-3!,f=-1.4) USER MOD Single : A 23 THR OG1 : rot -145:sc= 0.253 USER MOD Single : A 25 HIS : no HD1:sc=-0.00499 X(o=-0.005,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.66 K(o=-1.7,f=-9.1!) USER MOD Single : A 40 TYR OH : rot -140:sc= -0.21 USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= 0.413 (180deg=0.319) USER MOD Single : A 55 MET CE :methyl -157:sc= -1.2 (180deg=-2.5) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.0851 F(o=-1.5!,f=-0.085) USER MOD Single : A 77 THR OG1 : rot 81:sc= 0.143 USER MOD Single : A 79 GLN :FLIP amide:sc= -8.26! C(o=-8.8!,f=-8.3!) USER MOD Single : A 80 THR OG1 : rot -18:sc= 0.4 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.522 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.953 F(o=-2.3,f=-0.95) USER MOD Single : A 95 SER OG : rot -19:sc= 0.0966 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= -2.13 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.349 -3.712 16.248 1.00 7.33 N ATOM 2 CA MET A 1 16.513 -3.404 14.805 1.00 7.27 C ATOM 3 C MET A 1 16.101 -4.594 13.946 1.00 6.81 C ATOM 4 O MET A 1 16.541 -5.721 14.177 1.00 7.12 O ATOM 5 CB MET A 1 17.969 -3.032 14.509 1.00 7.99 C ATOM 6 CG MET A 1 18.461 -1.830 15.294 1.00 8.65 C ATOM 7 SD MET A 1 20.184 -1.430 14.943 1.00 9.34 S ATOM 8 CE MET A 1 20.443 -0.044 16.049 1.00 9.99 C ATOM 0 H1 MET A 1 16.387 -2.830 16.798 1.00 7.33 H new ATOM 0 H2 MET A 1 15.432 -4.177 16.402 1.00 7.33 H new ATOM 0 H3 MET A 1 17.114 -4.345 16.557 1.00 7.33 H new ATOM 0 HA MET A 1 15.868 -2.560 14.561 1.00 7.27 H new ATOM 0 HB2 MET A 1 18.606 -3.887 14.733 1.00 7.99 H new ATOM 0 HB3 MET A 1 18.073 -2.827 13.444 1.00 7.99 H new ATOM 0 HG2 MET A 1 17.837 -0.968 15.060 1.00 8.65 H new ATOM 0 HG3 MET A 1 18.347 -2.026 16.360 1.00 8.65 H new ATOM 0 HE1 MET A 1 21.467 0.316 15.947 1.00 9.99 H new ATOM 0 HE2 MET A 1 19.749 0.758 15.796 1.00 9.99 H new ATOM 0 HE3 MET A 1 20.271 -0.362 17.077 1.00 9.99 H new ATOM 20 N ALA A 2 15.252 -4.338 12.955 1.00 6.40 N ATOM 21 CA ALA A 2 14.779 -5.389 12.062 1.00 6.31 C ATOM 22 C ALA A 2 15.321 -5.197 10.649 1.00 5.60 C ATOM 23 O ALA A 2 16.041 -6.052 10.129 1.00 5.72 O ATOM 24 CB ALA A 2 13.259 -5.424 12.046 1.00 6.96 C ATOM 0 H ALA A 2 14.878 -3.411 12.751 1.00 6.40 H new ATOM 0 HA ALA A 2 15.150 -6.343 12.438 1.00 6.31 H new ATOM 0 HB1 ALA A 2 12.920 -6.213 11.375 1.00 6.96 H new ATOM 0 HB2 ALA A 2 12.889 -5.620 13.052 1.00 6.96 H new ATOM 0 HB3 ALA A 2 12.877 -4.464 11.699 1.00 6.96 H new ATOM 30 N ALA A 3 14.968 -4.071 10.033 1.00 5.19 N ATOM 31 CA ALA A 3 15.415 -3.759 8.678 1.00 4.77 C ATOM 32 C ALA A 3 14.992 -4.843 7.691 1.00 4.00 C ATOM 33 O ALA A 3 15.636 -5.042 6.661 1.00 4.10 O ATOM 34 CB ALA A 3 16.926 -3.576 8.650 1.00 5.44 C ATOM 0 H ALA A 3 14.372 -3.358 10.453 1.00 5.19 H new ATOM 0 HA ALA A 3 14.940 -2.826 8.373 1.00 4.77 H new ATOM 0 HB1 ALA A 3 17.246 -3.344 7.634 1.00 5.44 H new ATOM 0 HB2 ALA A 3 17.206 -2.758 9.314 1.00 5.44 H new ATOM 0 HB3 ALA A 3 17.410 -4.495 8.982 1.00 5.44 H new ATOM 40 N GLY A 4 13.904 -5.539 8.008 1.00 3.77 N ATOM 41 CA GLY A 4 13.417 -6.592 7.136 1.00 3.60 C ATOM 42 C GLY A 4 12.398 -6.092 6.131 1.00 3.08 C ATOM 43 O GLY A 4 12.494 -6.387 4.940 1.00 3.63 O ATOM 0 H GLY A 4 13.352 -5.392 8.853 1.00 3.77 H new ATOM 0 HA2 GLY A 4 14.258 -7.036 6.604 1.00 3.60 H new ATOM 0 HA3 GLY A 4 12.969 -7.381 7.740 1.00 3.60 H new ATOM 47 N GLU A 5 11.417 -5.334 6.613 1.00 2.62 N ATOM 48 CA GLU A 5 10.374 -4.791 5.750 1.00 2.68 C ATOM 49 C GLU A 5 10.857 -3.530 5.044 1.00 2.07 C ATOM 50 O GLU A 5 11.037 -3.517 3.826 1.00 2.47 O ATOM 51 CB GLU A 5 9.118 -4.485 6.567 1.00 3.54 C ATOM 52 CG GLU A 5 8.564 -5.689 7.311 1.00 4.10 C ATOM 53 CD GLU A 5 7.337 -5.353 8.137 1.00 4.75 C ATOM 54 OE1 GLU A 5 6.216 -5.420 7.590 1.00 5.15 O ATOM 55 OE2 GLU A 5 7.497 -5.024 9.331 1.00 5.19 O ATOM 0 H GLU A 5 11.323 -5.082 7.597 1.00 2.62 H new ATOM 0 HA GLU A 5 10.134 -5.539 4.994 1.00 2.68 H new ATOM 0 HB2 GLU A 5 9.346 -3.698 7.286 1.00 3.54 H new ATOM 0 HB3 GLU A 5 8.348 -4.095 5.901 1.00 3.54 H new ATOM 0 HG2 GLU A 5 8.311 -6.470 6.593 1.00 4.10 H new ATOM 0 HG3 GLU A 5 9.337 -6.094 7.964 1.00 4.10 H new ATOM 62 N LEU A 6 11.064 -2.469 5.818 1.00 1.67 N ATOM 63 CA LEU A 6 11.527 -1.199 5.270 1.00 1.32 C ATOM 64 C LEU A 6 11.982 -0.263 6.385 1.00 1.32 C ATOM 65 O LEU A 6 13.087 0.279 6.342 1.00 2.13 O ATOM 66 CB LEU A 6 10.417 -0.536 4.447 1.00 1.13 C ATOM 67 CG LEU A 6 10.818 -0.129 3.027 1.00 1.02 C ATOM 68 CD1 LEU A 6 9.617 0.413 2.267 1.00 1.73 C ATOM 69 CD2 LEU A 6 11.936 0.903 3.061 1.00 1.32 C ATOM 0 H LEU A 6 10.918 -2.464 6.828 1.00 1.67 H new ATOM 0 HA LEU A 6 12.377 -1.400 4.618 1.00 1.32 H new ATOM 0 HB2 LEU A 6 9.572 -1.221 4.387 1.00 1.13 H new ATOM 0 HB3 LEU A 6 10.072 0.351 4.979 1.00 1.13 H new ATOM 0 HG LEU A 6 11.183 -1.015 2.508 1.00 1.02 H new ATOM 0 HD11 LEU A 6 9.922 0.697 1.260 1.00 1.73 H new ATOM 0 HD12 LEU A 6 8.846 -0.355 2.210 1.00 1.73 H new ATOM 0 HD13 LEU A 6 9.222 1.286 2.786 1.00 1.73 H new ATOM 0 HD21 LEU A 6 12.207 1.180 2.042 1.00 1.32 H new ATOM 0 HD22 LEU A 6 11.598 1.788 3.599 1.00 1.32 H new ATOM 0 HD23 LEU A 6 12.805 0.481 3.566 1.00 1.32 H new ATOM 81 N GLU A 7 11.121 -0.079 7.382 1.00 1.23 N ATOM 82 CA GLU A 7 11.430 0.786 8.515 1.00 1.34 C ATOM 83 C GLU A 7 10.404 0.608 9.630 1.00 1.46 C ATOM 84 O GLU A 7 10.498 1.242 10.680 1.00 2.09 O ATOM 85 CB GLU A 7 11.476 2.252 8.077 1.00 1.49 C ATOM 86 CG GLU A 7 10.180 2.747 7.456 1.00 1.34 C ATOM 87 CD GLU A 7 10.238 4.213 7.071 1.00 1.95 C ATOM 88 OE1 GLU A 7 10.660 4.512 5.934 1.00 2.64 O ATOM 89 OE2 GLU A 7 9.861 5.061 7.907 1.00 2.22 O ATOM 0 H GLU A 7 10.202 -0.519 7.428 1.00 1.23 H new ATOM 0 HA GLU A 7 12.411 0.501 8.896 1.00 1.34 H new ATOM 0 HB2 GLU A 7 11.714 2.872 8.941 1.00 1.49 H new ATOM 0 HB3 GLU A 7 12.285 2.382 7.358 1.00 1.49 H new ATOM 0 HG2 GLU A 7 9.955 2.152 6.571 1.00 1.34 H new ATOM 0 HG3 GLU A 7 9.362 2.592 8.160 1.00 1.34 H new ATOM 96 N GLY A 8 9.423 -0.260 9.393 1.00 1.36 N ATOM 97 CA GLY A 8 8.395 -0.507 10.386 1.00 1.61 C ATOM 98 C GLY A 8 7.091 -0.980 9.772 1.00 1.17 C ATOM 99 O GLY A 8 6.961 -1.044 8.550 1.00 1.38 O ATOM 0 H GLY A 8 9.323 -0.796 8.531 1.00 1.36 H new ATOM 0 HA2 GLY A 8 8.751 -1.255 11.094 1.00 1.61 H new ATOM 0 HA3 GLY A 8 8.215 0.407 10.952 1.00 1.61 H new ATOM 103 N GLY A 9 6.125 -1.314 10.624 1.00 1.01 N ATOM 104 CA GLY A 9 4.835 -1.776 10.143 1.00 1.09 C ATOM 105 C GLY A 9 3.899 -0.633 9.801 1.00 1.08 C ATOM 106 O GLY A 9 3.036 -0.767 8.932 1.00 1.26 O ATOM 0 H GLY A 9 6.213 -1.273 11.639 1.00 1.01 H new ATOM 0 HA2 GLY A 9 4.982 -2.398 9.260 1.00 1.09 H new ATOM 0 HA3 GLY A 9 4.372 -2.406 10.903 1.00 1.09 H new ATOM 110 N LYS A 10 4.072 0.493 10.487 1.00 1.12 N ATOM 111 CA LYS A 10 3.239 1.671 10.260 1.00 1.33 C ATOM 112 C LYS A 10 3.259 2.109 8.791 1.00 1.14 C ATOM 113 O LYS A 10 2.203 2.340 8.202 1.00 1.22 O ATOM 114 CB LYS A 10 3.692 2.826 11.160 1.00 1.68 C ATOM 115 CG LYS A 10 2.954 4.130 10.898 1.00 2.23 C ATOM 116 CD LYS A 10 3.449 5.244 11.805 1.00 3.07 C ATOM 117 CE LYS A 10 2.668 6.530 11.584 1.00 3.89 C ATOM 118 NZ LYS A 10 1.224 6.366 11.904 1.00 4.57 N ATOM 0 H LYS A 10 4.784 0.615 11.207 1.00 1.12 H new ATOM 0 HA LYS A 10 2.214 1.400 10.512 1.00 1.33 H new ATOM 0 HB2 LYS A 10 3.549 2.541 12.202 1.00 1.68 H new ATOM 0 HB3 LYS A 10 4.760 2.988 11.018 1.00 1.68 H new ATOM 0 HG2 LYS A 10 3.088 4.422 9.856 1.00 2.23 H new ATOM 0 HG3 LYS A 10 1.885 3.982 11.053 1.00 2.23 H new ATOM 0 HD2 LYS A 10 3.357 4.935 12.846 1.00 3.07 H new ATOM 0 HD3 LYS A 10 4.508 5.423 11.618 1.00 3.07 H new ATOM 0 HE2 LYS A 10 3.089 7.321 12.204 1.00 3.89 H new ATOM 0 HE3 LYS A 10 2.776 6.846 10.546 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 0.782 7.302 12.005 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 0.756 5.843 11.137 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 1.124 5.838 12.794 1.00 4.57 H new ATOM 132 N PRO A 11 4.452 2.241 8.170 1.00 1.03 N ATOM 133 CA PRO A 11 4.555 2.661 6.769 1.00 1.05 C ATOM 134 C PRO A 11 3.932 1.660 5.803 1.00 0.77 C ATOM 135 O PRO A 11 2.982 1.987 5.093 1.00 0.72 O ATOM 136 CB PRO A 11 6.063 2.764 6.524 1.00 1.20 C ATOM 137 CG PRO A 11 6.682 1.908 7.572 1.00 1.49 C ATOM 138 CD PRO A 11 5.781 2.009 8.769 1.00 1.15 C ATOM 0 HA PRO A 11 4.017 3.593 6.597 1.00 1.05 H new ATOM 0 HB2 PRO A 11 6.325 2.417 5.525 1.00 1.20 H new ATOM 0 HB3 PRO A 11 6.406 3.795 6.603 1.00 1.20 H new ATOM 0 HG2 PRO A 11 6.767 0.876 7.233 1.00 1.49 H new ATOM 0 HG3 PRO A 11 7.689 2.249 7.811 1.00 1.49 H new ATOM 0 HD2 PRO A 11 5.800 1.097 9.366 1.00 1.15 H new ATOM 0 HD3 PRO A 11 6.075 2.827 9.427 1.00 1.15 H new ATOM 146 N LEU A 12 4.469 0.441 5.778 1.00 0.70 N ATOM 147 CA LEU A 12 3.972 -0.599 4.880 1.00 0.57 C ATOM 148 C LEU A 12 2.455 -0.739 4.960 1.00 0.48 C ATOM 149 O LEU A 12 1.809 -1.113 3.981 1.00 0.53 O ATOM 150 CB LEU A 12 4.636 -1.942 5.188 1.00 0.61 C ATOM 151 CG LEU A 12 4.471 -3.005 4.098 1.00 0.58 C ATOM 152 CD1 LEU A 12 5.113 -2.544 2.798 1.00 1.01 C ATOM 153 CD2 LEU A 12 5.071 -4.329 4.544 1.00 0.91 C ATOM 0 H LEU A 12 5.248 0.150 6.369 1.00 0.70 H new ATOM 0 HA LEU A 12 4.229 -0.297 3.865 1.00 0.57 H new ATOM 0 HB2 LEU A 12 5.700 -1.775 5.355 1.00 0.61 H new ATOM 0 HB3 LEU A 12 4.224 -2.330 6.120 1.00 0.61 H new ATOM 0 HG LEU A 12 3.405 -3.151 3.924 1.00 0.58 H new ATOM 0 HD11 LEU A 12 4.985 -3.313 2.036 1.00 1.01 H new ATOM 0 HD12 LEU A 12 4.638 -1.621 2.465 1.00 1.01 H new ATOM 0 HD13 LEU A 12 6.176 -2.367 2.960 1.00 1.01 H new ATOM 0 HD21 LEU A 12 4.943 -5.070 3.755 1.00 0.91 H new ATOM 0 HD22 LEU A 12 6.133 -4.196 4.749 1.00 0.91 H new ATOM 0 HD23 LEU A 12 4.567 -4.671 5.448 1.00 0.91 H new ATOM 165 N SER A 13 1.886 -0.438 6.124 1.00 0.52 N ATOM 166 CA SER A 13 0.441 -0.534 6.305 1.00 0.61 C ATOM 167 C SER A 13 -0.252 0.664 5.669 1.00 0.58 C ATOM 168 O SER A 13 -1.303 0.526 5.043 1.00 0.69 O ATOM 169 CB SER A 13 0.086 -0.627 7.790 1.00 0.78 C ATOM 170 OG SER A 13 0.358 0.590 8.461 1.00 1.39 O ATOM 0 H SER A 13 2.398 -0.128 6.950 1.00 0.52 H new ATOM 0 HA SER A 13 0.093 -1.442 5.813 1.00 0.61 H new ATOM 0 HB2 SER A 13 -0.969 -0.877 7.899 1.00 0.78 H new ATOM 0 HB3 SER A 13 0.654 -1.434 8.252 1.00 0.78 H new ATOM 0 HG SER A 13 1.192 0.974 8.117 1.00 1.39 H new ATOM 176 N GLY A 14 0.348 1.837 5.835 1.00 0.56 N ATOM 177 CA GLY A 14 -0.208 3.046 5.256 1.00 0.59 C ATOM 178 C GLY A 14 0.484 3.415 3.960 1.00 0.55 C ATOM 179 O GLY A 14 0.431 4.563 3.517 1.00 0.58 O ATOM 0 H GLY A 14 1.211 1.973 6.361 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -1.273 2.905 5.073 1.00 0.59 H new ATOM 0 HA3 GLY A 14 -0.112 3.867 5.966 1.00 0.59 H new ATOM 183 N LEU A 15 1.138 2.429 3.358 1.00 0.52 N ATOM 184 CA LEU A 15 1.857 2.623 2.105 1.00 0.52 C ATOM 185 C LEU A 15 0.886 2.843 0.954 1.00 0.46 C ATOM 186 O LEU A 15 0.941 3.863 0.269 1.00 0.47 O ATOM 187 CB LEU A 15 2.731 1.402 1.819 1.00 0.57 C ATOM 188 CG LEU A 15 4.214 1.692 1.556 1.00 0.69 C ATOM 189 CD1 LEU A 15 4.374 2.624 0.367 1.00 0.97 C ATOM 190 CD2 LEU A 15 4.880 2.282 2.790 1.00 1.10 C ATOM 0 H LEU A 15 1.185 1.477 3.722 1.00 0.52 H new ATOM 0 HA LEU A 15 2.486 3.508 2.199 1.00 0.52 H new ATOM 0 HB2 LEU A 15 2.658 0.720 2.666 1.00 0.57 H new ATOM 0 HB3 LEU A 15 2.323 0.881 0.953 1.00 0.57 H new ATOM 0 HG LEU A 15 4.707 0.748 1.324 1.00 0.69 H new ATOM 0 HD11 LEU A 15 5.433 2.818 0.196 1.00 0.97 H new ATOM 0 HD12 LEU A 15 3.943 2.160 -0.520 1.00 0.97 H new ATOM 0 HD13 LEU A 15 3.861 3.564 0.570 1.00 0.97 H new ATOM 0 HD21 LEU A 15 5.931 2.479 2.577 1.00 1.10 H new ATOM 0 HD22 LEU A 15 4.384 3.214 3.061 1.00 1.10 H new ATOM 0 HD23 LEU A 15 4.803 1.577 3.617 1.00 1.10 H new ATOM 202 N LEU A 16 -0.007 1.877 0.751 1.00 0.45 N ATOM 203 CA LEU A 16 -0.998 1.960 -0.315 1.00 0.42 C ATOM 204 C LEU A 16 -1.789 3.260 -0.195 1.00 0.40 C ATOM 205 O LEU A 16 -2.395 3.728 -1.159 1.00 0.41 O ATOM 206 CB LEU A 16 -1.955 0.757 -0.267 1.00 0.47 C ATOM 207 CG LEU A 16 -1.299 -0.632 -0.191 1.00 0.53 C ATOM 208 CD1 LEU A 16 -0.061 -0.710 -1.076 1.00 0.86 C ATOM 209 CD2 LEU A 16 -0.953 -0.989 1.249 1.00 0.92 C ATOM 0 H LEU A 16 -0.063 1.027 1.312 1.00 0.45 H new ATOM 0 HA LEU A 16 -0.474 1.946 -1.271 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -2.609 0.874 0.597 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -2.589 0.788 -1.153 1.00 0.47 H new ATOM 0 HG LEU A 16 -2.021 -1.359 -0.562 1.00 0.53 H new ATOM 0 HD11 LEU A 16 0.379 -1.704 -1.000 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -0.341 -0.516 -2.111 1.00 0.86 H new ATOM 0 HD13 LEU A 16 0.666 0.034 -0.751 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -0.490 -1.975 1.278 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -0.259 -0.251 1.650 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -1.862 -0.997 1.850 1.00 0.92 H new ATOM 221 N ASN A 17 -1.770 3.831 1.005 1.00 0.40 N ATOM 222 CA ASN A 17 -2.466 5.081 1.283 1.00 0.42 C ATOM 223 C ASN A 17 -1.702 6.268 0.704 1.00 0.38 C ATOM 224 O ASN A 17 -2.266 7.091 -0.015 1.00 0.42 O ATOM 225 CB ASN A 17 -2.634 5.253 2.791 1.00 0.47 C ATOM 226 CG ASN A 17 -3.808 4.464 3.336 1.00 1.38 C ATOM 227 OD1 ASN A 17 -4.797 4.239 2.637 1.00 1.93 O ATOM 228 ND2 ASN A 17 -3.707 4.042 4.590 1.00 2.33 N ATOM 0 H ASN A 17 -1.275 3.443 1.808 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.448 5.044 0.811 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -1.721 4.935 3.294 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -2.772 6.310 3.020 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -4.467 3.508 5.011 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -2.869 4.251 5.133 1.00 2.33 H new ATOM 235 N ALA A 18 -0.417 6.354 1.035 1.00 0.37 N ATOM 236 CA ALA A 18 0.434 7.431 0.541 1.00 0.37 C ATOM 237 C ALA A 18 0.490 7.414 -0.985 1.00 0.38 C ATOM 238 O ALA A 18 0.263 8.428 -1.645 1.00 0.44 O ATOM 239 CB ALA A 18 1.834 7.288 1.120 1.00 0.42 C ATOM 0 H ALA A 18 0.059 5.689 1.645 1.00 0.37 H new ATOM 0 HA ALA A 18 0.012 8.385 0.858 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.466 8.095 0.748 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.785 7.338 2.208 1.00 0.42 H new ATOM 0 HB3 ALA A 18 2.256 6.329 0.819 1.00 0.42 H new ATOM 245 N LEU A 19 0.771 6.236 -1.531 1.00 0.42 N ATOM 246 CA LEU A 19 0.887 6.045 -2.975 1.00 0.48 C ATOM 247 C LEU A 19 -0.372 6.480 -3.729 1.00 0.52 C ATOM 248 O LEU A 19 -0.366 6.544 -4.958 1.00 0.69 O ATOM 249 CB LEU A 19 1.173 4.575 -3.271 1.00 0.51 C ATOM 250 CG LEU A 19 2.312 3.964 -2.457 1.00 0.61 C ATOM 251 CD1 LEU A 19 2.244 2.447 -2.513 1.00 0.77 C ATOM 252 CD2 LEU A 19 3.656 4.463 -2.964 1.00 0.94 C ATOM 0 H LEU A 19 0.925 5.387 -0.987 1.00 0.42 H new ATOM 0 HA LEU A 19 1.707 6.674 -3.321 1.00 0.48 H new ATOM 0 HB2 LEU A 19 0.266 3.999 -3.088 1.00 0.51 H new ATOM 0 HB3 LEU A 19 1.407 4.472 -4.331 1.00 0.51 H new ATOM 0 HG LEU A 19 2.205 4.275 -1.418 1.00 0.61 H new ATOM 0 HD11 LEU A 19 3.061 2.024 -1.929 1.00 0.77 H new ATOM 0 HD12 LEU A 19 1.292 2.110 -2.102 1.00 0.77 H new ATOM 0 HD13 LEU A 19 2.329 2.117 -3.548 1.00 0.77 H new ATOM 0 HD21 LEU A 19 4.456 4.018 -2.373 1.00 0.94 H new ATOM 0 HD22 LEU A 19 3.778 4.181 -4.010 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.699 5.548 -2.873 1.00 0.94 H new ATOM 264 N ALA A 20 -1.444 6.770 -2.997 1.00 0.54 N ATOM 265 CA ALA A 20 -2.702 7.188 -3.612 1.00 0.64 C ATOM 266 C ALA A 20 -2.489 8.292 -4.646 1.00 0.78 C ATOM 267 O ALA A 20 -2.715 8.084 -5.839 1.00 1.59 O ATOM 268 CB ALA A 20 -3.686 7.647 -2.546 1.00 0.76 C ATOM 0 H ALA A 20 -1.468 6.724 -1.978 1.00 0.54 H new ATOM 0 HA ALA A 20 -3.116 6.324 -4.132 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.618 7.955 -3.020 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -3.884 6.827 -1.856 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.262 8.488 -1.998 1.00 0.76 H new ATOM 274 N GLN A 21 -2.062 9.464 -4.179 1.00 0.71 N ATOM 275 CA GLN A 21 -1.820 10.614 -5.055 1.00 0.81 C ATOM 276 C GLN A 21 -3.113 11.105 -5.707 1.00 1.05 C ATOM 277 O GLN A 21 -3.108 12.094 -6.440 1.00 1.54 O ATOM 278 CB GLN A 21 -0.789 10.273 -6.135 1.00 1.12 C ATOM 279 CG GLN A 21 0.617 10.076 -5.592 1.00 1.08 C ATOM 280 CD GLN A 21 1.639 9.830 -6.686 1.00 1.24 C ATOM 281 OE1 GLN A 21 2.877 10.248 -6.445 1.00 1.87 O flip ATOM 282 NE2 GLN A 21 1.319 9.270 -7.735 1.00 1.21 N flip ATOM 0 H GLN A 21 -1.875 9.645 -3.193 1.00 0.71 H new ATOM 0 HA GLN A 21 -1.425 11.416 -4.431 1.00 0.81 H new ATOM 0 HB2 GLN A 21 -1.101 9.365 -6.650 1.00 1.12 H new ATOM 0 HB3 GLN A 21 -0.775 11.071 -6.877 1.00 1.12 H new ATOM 0 HG2 GLN A 21 0.908 10.957 -5.020 1.00 1.08 H new ATOM 0 HG3 GLN A 21 0.620 9.233 -4.901 1.00 1.08 H new ATOM 0 HE21 GLN A 21 0.356 8.965 -7.877 1.00 1.21 H new ATOM 0 HE22 GLN A 21 2.017 9.111 -8.462 1.00 1.21 H new ATOM 291 N ASP A 22 -4.216 10.413 -5.430 1.00 1.63 N ATOM 292 CA ASP A 22 -5.516 10.776 -5.984 1.00 2.08 C ATOM 293 C ASP A 22 -6.607 9.861 -5.438 1.00 1.93 C ATOM 294 O ASP A 22 -6.956 8.852 -6.052 1.00 2.22 O ATOM 295 CB ASP A 22 -5.492 10.714 -7.515 1.00 2.77 C ATOM 296 CG ASP A 22 -4.978 9.387 -8.038 1.00 3.37 C ATOM 297 OD1 ASP A 22 -3.743 9.198 -8.068 1.00 3.59 O ATOM 298 OD2 ASP A 22 -5.810 8.536 -8.420 1.00 4.03 O ATOM 0 H ASP A 22 -4.234 9.594 -4.822 1.00 1.63 H new ATOM 0 HA ASP A 22 -5.736 11.800 -5.683 1.00 2.08 H new ATOM 0 HB2 ASP A 22 -6.498 10.886 -7.897 1.00 2.77 H new ATOM 0 HB3 ASP A 22 -4.864 11.519 -7.898 1.00 2.77 H new ATOM 303 N THR A 23 -7.135 10.215 -4.271 1.00 1.87 N ATOM 304 CA THR A 23 -8.183 9.427 -3.635 1.00 2.12 C ATOM 305 C THR A 23 -9.555 9.783 -4.195 1.00 2.28 C ATOM 306 O THR A 23 -10.448 8.939 -4.257 1.00 2.68 O ATOM 307 CB THR A 23 -8.194 9.638 -2.110 1.00 2.43 C ATOM 308 OG1 THR A 23 -8.492 11.006 -1.806 1.00 3.06 O ATOM 309 CG2 THR A 23 -6.850 9.261 -1.503 1.00 2.29 C ATOM 0 H THR A 23 -6.854 11.043 -3.747 1.00 1.87 H new ATOM 0 HA THR A 23 -7.967 8.380 -3.849 1.00 2.12 H new ATOM 0 HB THR A 23 -8.963 8.995 -1.682 1.00 2.43 H new ATOM 0 HG1 THR A 23 -7.997 11.278 -1.005 1.00 3.06 H new ATOM 0 HG21 THR A 23 -6.881 9.418 -0.425 1.00 2.29 H new ATOM 0 HG22 THR A 23 -6.638 8.212 -1.711 1.00 2.29 H new ATOM 0 HG23 THR A 23 -6.067 9.882 -1.938 1.00 2.29 H new ATOM 317 N PHE A 24 -9.707 11.041 -4.607 1.00 2.25 N ATOM 318 CA PHE A 24 -10.964 11.533 -5.164 1.00 2.54 C ATOM 319 C PHE A 24 -12.098 11.412 -4.148 1.00 2.79 C ATOM 320 O PHE A 24 -12.446 12.384 -3.477 1.00 3.49 O ATOM 321 CB PHE A 24 -11.320 10.777 -6.448 1.00 2.58 C ATOM 322 CG PHE A 24 -12.249 11.538 -7.353 1.00 2.99 C ATOM 323 CD1 PHE A 24 -13.621 11.466 -7.180 1.00 3.42 C ATOM 324 CD2 PHE A 24 -11.746 12.326 -8.376 1.00 3.46 C ATOM 325 CE1 PHE A 24 -14.475 12.166 -8.012 1.00 4.26 C ATOM 326 CE2 PHE A 24 -12.595 13.028 -9.210 1.00 4.14 C ATOM 327 CZ PHE A 24 -13.962 12.948 -9.028 1.00 4.53 C ATOM 0 H PHE A 24 -8.968 11.742 -4.564 1.00 2.25 H new ATOM 0 HA PHE A 24 -10.832 12.588 -5.406 1.00 2.54 H new ATOM 0 HB2 PHE A 24 -10.403 10.547 -6.991 1.00 2.58 H new ATOM 0 HB3 PHE A 24 -11.781 9.825 -6.184 1.00 2.58 H new ATOM 0 HD1 PHE A 24 -14.028 10.857 -6.387 1.00 3.42 H new ATOM 0 HD2 PHE A 24 -10.678 12.392 -8.523 1.00 3.46 H new ATOM 0 HE1 PHE A 24 -15.543 12.101 -7.867 1.00 4.26 H new ATOM 0 HE2 PHE A 24 -12.190 13.639 -10.003 1.00 4.14 H new ATOM 0 HZ PHE A 24 -14.628 13.496 -9.679 1.00 4.53 H new ATOM 337 N HIS A 25 -12.669 10.215 -4.035 1.00 2.92 N ATOM 338 CA HIS A 25 -13.760 9.973 -3.098 1.00 3.82 C ATOM 339 C HIS A 25 -13.246 9.947 -1.660 1.00 4.29 C ATOM 340 O HIS A 25 -14.026 9.848 -0.713 1.00 5.21 O ATOM 341 CB HIS A 25 -14.461 8.652 -3.424 1.00 4.09 C ATOM 342 CG HIS A 25 -15.056 8.609 -4.799 1.00 4.34 C ATOM 343 ND1 HIS A 25 -16.364 8.955 -5.067 1.00 4.48 N ATOM 344 CD2 HIS A 25 -14.513 8.252 -5.988 1.00 4.95 C ATOM 345 CE1 HIS A 25 -16.600 8.813 -6.360 1.00 5.04 C ATOM 346 NE2 HIS A 25 -15.494 8.388 -6.939 1.00 5.34 N ATOM 0 H HIS A 25 -12.393 9.399 -4.581 1.00 2.92 H new ATOM 0 HA HIS A 25 -14.476 10.789 -3.196 1.00 3.82 H new ATOM 0 HB2 HIS A 25 -13.745 7.836 -3.322 1.00 4.09 H new ATOM 0 HB3 HIS A 25 -15.249 8.479 -2.691 1.00 4.09 H new ATOM 0 HD2 HIS A 25 -13.498 7.922 -6.156 1.00 4.95 H new ATOM 0 HE1 HIS A 25 -17.538 9.011 -6.857 1.00 5.04 H new ATOM 0 HE2 HIS A 25 -15.385 8.192 -7.934 1.00 5.34 H new ATOM 355 N GLY A 26 -11.928 10.037 -1.507 1.00 3.87 N ATOM 356 CA GLY A 26 -11.329 10.020 -0.184 1.00 4.35 C ATOM 357 C GLY A 26 -11.107 11.415 0.370 1.00 3.82 C ATOM 358 O GLY A 26 -11.937 12.304 0.181 1.00 3.81 O ATOM 0 H GLY A 26 -11.264 10.121 -2.276 1.00 3.87 H new ATOM 0 HA2 GLY A 26 -11.972 9.461 0.495 1.00 4.35 H new ATOM 0 HA3 GLY A 26 -10.376 9.493 -0.227 1.00 4.35 H new ATOM 362 N TYR A 27 -9.983 11.604 1.054 1.00 3.61 N ATOM 363 CA TYR A 27 -9.653 12.900 1.640 1.00 3.21 C ATOM 364 C TYR A 27 -8.700 13.684 0.737 1.00 2.51 C ATOM 365 O TYR A 27 -7.839 13.098 0.081 1.00 2.56 O ATOM 366 CB TYR A 27 -9.024 12.715 3.024 1.00 3.64 C ATOM 367 CG TYR A 27 -7.797 11.829 3.025 1.00 4.16 C ATOM 368 CD1 TYR A 27 -7.910 10.457 3.207 1.00 4.99 C ATOM 369 CD2 TYR A 27 -6.529 12.364 2.841 1.00 4.26 C ATOM 370 CE1 TYR A 27 -6.795 9.642 3.207 1.00 5.76 C ATOM 371 CE2 TYR A 27 -5.407 11.556 2.840 1.00 5.19 C ATOM 372 CZ TYR A 27 -5.541 10.202 3.029 1.00 5.88 C ATOM 373 OH TYR A 27 -4.432 9.388 3.022 1.00 6.91 O ATOM 0 H TYR A 27 -9.286 10.878 1.216 1.00 3.61 H new ATOM 0 HA TYR A 27 -10.578 13.468 1.741 1.00 3.21 H new ATOM 0 HB2 TYR A 27 -8.755 13.693 3.424 1.00 3.64 H new ATOM 0 HB3 TYR A 27 -9.768 12.289 3.697 1.00 3.64 H new ATOM 0 HD1 TYR A 27 -8.887 10.020 3.351 1.00 4.99 H new ATOM 0 HD2 TYR A 27 -6.417 13.428 2.696 1.00 4.26 H new ATOM 0 HE1 TYR A 27 -6.900 8.576 3.345 1.00 5.76 H new ATOM 0 HE2 TYR A 27 -4.428 11.988 2.691 1.00 5.19 H new ATOM 0 HH TYR A 27 -3.628 9.932 2.885 1.00 6.91 H new ATOM 383 N PRO A 28 -8.844 15.023 0.689 1.00 2.25 N ATOM 384 CA PRO A 28 -7.989 15.879 -0.134 1.00 2.05 C ATOM 385 C PRO A 28 -6.689 16.248 0.573 1.00 1.79 C ATOM 386 O PRO A 28 -6.644 16.341 1.799 1.00 2.41 O ATOM 387 CB PRO A 28 -8.856 17.117 -0.335 1.00 2.45 C ATOM 388 CG PRO A 28 -9.656 17.221 0.919 1.00 2.79 C ATOM 389 CD PRO A 28 -9.855 15.812 1.424 1.00 2.71 C ATOM 0 HA PRO A 28 -7.678 15.394 -1.059 1.00 2.05 H new ATOM 0 HB2 PRO A 28 -8.247 18.007 -0.492 1.00 2.45 H new ATOM 0 HB3 PRO A 28 -9.499 17.013 -1.209 1.00 2.45 H new ATOM 0 HG2 PRO A 28 -9.137 17.828 1.660 1.00 2.79 H new ATOM 0 HG3 PRO A 28 -10.615 17.703 0.728 1.00 2.79 H new ATOM 0 HD2 PRO A 28 -9.704 15.749 2.502 1.00 2.71 H new ATOM 0 HD3 PRO A 28 -10.865 15.454 1.222 1.00 2.71 H new ATOM 397 N GLY A 29 -5.635 16.459 -0.208 1.00 1.45 N ATOM 398 CA GLY A 29 -4.351 16.819 0.363 1.00 1.37 C ATOM 399 C GLY A 29 -3.359 15.672 0.333 1.00 1.15 C ATOM 400 O GLY A 29 -2.754 15.340 1.352 1.00 1.42 O ATOM 0 H GLY A 29 -5.647 16.387 -1.225 1.00 1.45 H new ATOM 0 HA2 GLY A 29 -3.938 17.666 -0.185 1.00 1.37 H new ATOM 0 HA3 GLY A 29 -4.494 17.145 1.393 1.00 1.37 H new ATOM 404 N ILE A 30 -3.194 15.067 -0.839 1.00 1.02 N ATOM 405 CA ILE A 30 -2.270 13.951 -1.001 1.00 0.84 C ATOM 406 C ILE A 30 -1.215 14.273 -2.066 1.00 0.87 C ATOM 407 O ILE A 30 -1.122 13.613 -3.101 1.00 1.18 O ATOM 408 CB ILE A 30 -3.030 12.648 -1.358 1.00 0.87 C ATOM 409 CG1 ILE A 30 -2.068 11.456 -1.452 1.00 0.77 C ATOM 410 CG2 ILE A 30 -3.814 12.811 -2.653 1.00 1.08 C ATOM 411 CD1 ILE A 30 -1.563 10.975 -0.109 1.00 0.75 C ATOM 0 H ILE A 30 -3.689 15.331 -1.691 1.00 1.02 H new ATOM 0 HA ILE A 30 -1.761 13.793 -0.050 1.00 0.84 H new ATOM 0 HB ILE A 30 -3.739 12.447 -0.555 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -2.572 10.632 -1.957 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -1.216 11.736 -2.072 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -4.338 11.883 -2.881 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -4.538 13.618 -2.541 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -3.128 13.049 -3.466 1.00 1.08 H new ATOM 0 HD11 ILE A 30 -0.889 10.131 -0.255 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -1.029 11.784 0.390 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -2.407 10.663 0.507 1.00 0.75 H new ATOM 423 N THR A 31 -0.421 15.310 -1.801 1.00 0.88 N ATOM 424 CA THR A 31 0.630 15.726 -2.724 1.00 0.97 C ATOM 425 C THR A 31 1.629 14.595 -2.949 1.00 0.86 C ATOM 426 O THR A 31 1.796 13.725 -2.094 1.00 0.78 O ATOM 427 CB THR A 31 1.377 16.973 -2.208 1.00 1.07 C ATOM 428 OG1 THR A 31 0.441 18.018 -1.917 1.00 1.72 O ATOM 429 CG2 THR A 31 2.390 17.469 -3.231 1.00 1.06 C ATOM 0 H THR A 31 -0.487 15.876 -0.955 1.00 0.88 H new ATOM 0 HA THR A 31 0.147 15.977 -3.668 1.00 0.97 H new ATOM 0 HB THR A 31 1.911 16.694 -1.300 1.00 1.07 H new ATOM 0 HG1 THR A 31 0.922 18.806 -1.588 1.00 1.72 H new ATOM 0 HG21 THR A 31 2.901 18.349 -2.840 1.00 1.06 H new ATOM 0 HG22 THR A 31 3.120 16.684 -3.431 1.00 1.06 H new ATOM 0 HG23 THR A 31 1.875 17.730 -4.156 1.00 1.06 H new ATOM 437 N GLU A 32 2.290 14.612 -4.101 1.00 0.93 N ATOM 438 CA GLU A 32 3.261 13.579 -4.439 1.00 0.95 C ATOM 439 C GLU A 32 4.443 13.582 -3.473 1.00 0.84 C ATOM 440 O GLU A 32 4.835 12.535 -2.958 1.00 0.91 O ATOM 441 CB GLU A 32 3.753 13.768 -5.876 1.00 1.15 C ATOM 442 CG GLU A 32 4.834 12.782 -6.289 1.00 1.47 C ATOM 443 CD GLU A 32 5.220 12.919 -7.750 1.00 1.59 C ATOM 444 OE1 GLU A 32 4.589 12.248 -8.595 1.00 1.56 O ATOM 445 OE2 GLU A 32 6.150 13.695 -8.048 1.00 1.98 O ATOM 0 H GLU A 32 2.171 15.330 -4.816 1.00 0.93 H new ATOM 0 HA GLU A 32 2.764 12.613 -4.353 1.00 0.95 H new ATOM 0 HB2 GLU A 32 2.907 13.671 -6.556 1.00 1.15 H new ATOM 0 HB3 GLU A 32 4.137 14.782 -5.988 1.00 1.15 H new ATOM 0 HG2 GLU A 32 5.717 12.935 -5.668 1.00 1.47 H new ATOM 0 HG3 GLU A 32 4.485 11.766 -6.103 1.00 1.47 H new ATOM 452 N GLU A 33 5.008 14.760 -3.230 1.00 0.80 N ATOM 453 CA GLU A 33 6.144 14.882 -2.322 1.00 0.79 C ATOM 454 C GLU A 33 5.697 14.703 -0.876 1.00 0.64 C ATOM 455 O GLU A 33 6.520 14.605 0.034 1.00 0.70 O ATOM 456 CB GLU A 33 6.823 16.242 -2.499 1.00 0.97 C ATOM 457 CG GLU A 33 7.398 16.461 -3.889 1.00 1.63 C ATOM 458 CD GLU A 33 8.031 17.830 -4.048 1.00 2.05 C ATOM 459 OE1 GLU A 33 9.241 17.961 -3.775 1.00 2.36 O ATOM 460 OE2 GLU A 33 7.313 18.772 -4.447 1.00 2.64 O ATOM 0 H GLU A 33 4.701 15.639 -3.646 1.00 0.80 H new ATOM 0 HA GLU A 33 6.861 14.097 -2.563 1.00 0.79 H new ATOM 0 HB2 GLU A 33 6.100 17.030 -2.286 1.00 0.97 H new ATOM 0 HB3 GLU A 33 7.623 16.337 -1.765 1.00 0.97 H new ATOM 0 HG2 GLU A 33 8.144 15.693 -4.095 1.00 1.63 H new ATOM 0 HG3 GLU A 33 6.606 16.342 -4.629 1.00 1.63 H new ATOM 467 N LEU A 34 4.384 14.661 -0.677 1.00 0.54 N ATOM 468 CA LEU A 34 3.807 14.497 0.652 1.00 0.49 C ATOM 469 C LEU A 34 3.728 13.033 1.055 1.00 0.43 C ATOM 470 O LEU A 34 4.236 12.642 2.102 1.00 0.46 O ATOM 471 CB LEU A 34 2.403 15.089 0.684 1.00 0.57 C ATOM 472 CG LEU A 34 2.269 16.420 1.406 1.00 0.91 C ATOM 473 CD1 LEU A 34 0.850 16.940 1.277 1.00 1.75 C ATOM 474 CD2 LEU A 34 2.657 16.283 2.872 1.00 1.48 C ATOM 0 H LEU A 34 3.695 14.739 -1.425 1.00 0.54 H new ATOM 0 HA LEU A 34 4.457 15.017 1.356 1.00 0.49 H new ATOM 0 HB2 LEU A 34 2.058 15.216 -0.342 1.00 0.57 H new ATOM 0 HB3 LEU A 34 1.735 14.370 1.158 1.00 0.57 H new ATOM 0 HG LEU A 34 2.949 17.135 0.944 1.00 0.91 H new ATOM 0 HD11 LEU A 34 0.763 17.894 1.797 1.00 1.75 H new ATOM 0 HD12 LEU A 34 0.607 17.078 0.223 1.00 1.75 H new ATOM 0 HD13 LEU A 34 0.158 16.222 1.718 1.00 1.75 H new ATOM 0 HD21 LEU A 34 2.553 17.248 3.368 1.00 1.48 H new ATOM 0 HD22 LEU A 34 2.005 15.555 3.355 1.00 1.48 H new ATOM 0 HD23 LEU A 34 3.691 15.947 2.945 1.00 1.48 H new ATOM 486 N LEU A 35 3.086 12.236 0.207 1.00 0.45 N ATOM 487 CA LEU A 35 2.889 10.821 0.459 1.00 0.49 C ATOM 488 C LEU A 35 4.144 10.148 1.014 1.00 0.43 C ATOM 489 O LEU A 35 4.052 9.280 1.883 1.00 0.50 O ATOM 490 CB LEU A 35 2.434 10.149 -0.834 1.00 0.63 C ATOM 491 CG LEU A 35 3.535 9.800 -1.835 1.00 0.64 C ATOM 492 CD1 LEU A 35 4.063 8.397 -1.579 1.00 0.89 C ATOM 493 CD2 LEU A 35 3.015 9.920 -3.258 1.00 1.08 C ATOM 0 H LEU A 35 2.688 12.558 -0.675 1.00 0.45 H new ATOM 0 HA LEU A 35 2.121 10.710 1.225 1.00 0.49 H new ATOM 0 HB2 LEU A 35 1.902 9.233 -0.576 1.00 0.63 H new ATOM 0 HB3 LEU A 35 1.717 10.805 -1.328 1.00 0.63 H new ATOM 0 HG LEU A 35 4.356 10.506 -1.705 1.00 0.64 H new ATOM 0 HD11 LEU A 35 4.846 8.166 -2.301 1.00 0.89 H new ATOM 0 HD12 LEU A 35 4.471 8.340 -0.570 1.00 0.89 H new ATOM 0 HD13 LEU A 35 3.250 7.678 -1.682 1.00 0.89 H new ATOM 0 HD21 LEU A 35 3.811 9.668 -3.959 1.00 1.08 H new ATOM 0 HD22 LEU A 35 2.178 9.236 -3.398 1.00 1.08 H new ATOM 0 HD23 LEU A 35 2.682 10.942 -3.439 1.00 1.08 H new ATOM 505 N ARG A 36 5.308 10.548 0.522 1.00 0.38 N ATOM 506 CA ARG A 36 6.561 9.972 0.993 1.00 0.38 C ATOM 507 C ARG A 36 6.840 10.415 2.422 1.00 0.34 C ATOM 508 O ARG A 36 7.116 9.597 3.295 1.00 0.37 O ATOM 509 CB ARG A 36 7.722 10.388 0.088 1.00 0.46 C ATOM 510 CG ARG A 36 8.383 9.224 -0.631 1.00 1.18 C ATOM 511 CD ARG A 36 7.491 8.663 -1.726 1.00 1.73 C ATOM 512 NE ARG A 36 6.975 9.704 -2.609 1.00 2.64 N ATOM 513 CZ ARG A 36 6.328 9.452 -3.743 1.00 3.41 C ATOM 514 NH1 ARG A 36 6.118 8.200 -4.125 1.00 3.46 N ATOM 515 NH2 ARG A 36 5.887 10.450 -4.494 1.00 4.28 N ATOM 0 H ARG A 36 5.412 11.263 -0.198 1.00 0.38 H new ATOM 0 HA ARG A 36 6.468 8.886 0.966 1.00 0.38 H new ATOM 0 HB2 ARG A 36 7.357 11.101 -0.652 1.00 0.46 H new ATOM 0 HB3 ARG A 36 8.471 10.906 0.687 1.00 0.46 H new ATOM 0 HG2 ARG A 36 9.328 9.552 -1.063 1.00 1.18 H new ATOM 0 HG3 ARG A 36 8.617 8.438 0.087 1.00 1.18 H new ATOM 0 HD2 ARG A 36 8.054 7.938 -2.314 1.00 1.73 H new ATOM 0 HD3 ARG A 36 6.657 8.128 -1.273 1.00 1.73 H new ATOM 0 HE ARG A 36 7.118 10.678 -2.342 1.00 2.64 H new ATOM 0 HH11 ARG A 36 6.453 7.428 -3.549 1.00 3.46 H new ATOM 0 HH12 ARG A 36 5.621 8.009 -4.995 1.00 3.46 H new ATOM 0 HH21 ARG A 36 6.043 11.415 -4.203 1.00 4.28 H new ATOM 0 HH22 ARG A 36 5.391 10.254 -5.363 1.00 4.28 H new ATOM 529 N SER A 37 6.739 11.717 2.653 1.00 0.36 N ATOM 530 CA SER A 37 6.996 12.291 3.968 1.00 0.40 C ATOM 531 C SER A 37 5.891 11.956 4.973 1.00 0.40 C ATOM 532 O SER A 37 6.109 12.034 6.183 1.00 0.46 O ATOM 533 CB SER A 37 7.151 13.808 3.857 1.00 0.47 C ATOM 534 OG SER A 37 7.362 14.394 5.130 1.00 1.33 O ATOM 0 H SER A 37 6.479 12.400 1.942 1.00 0.36 H new ATOM 0 HA SER A 37 7.922 11.850 4.338 1.00 0.40 H new ATOM 0 HB2 SER A 37 7.989 14.044 3.201 1.00 0.47 H new ATOM 0 HB3 SER A 37 6.258 14.235 3.400 1.00 0.47 H new ATOM 0 HG SER A 37 7.460 15.364 5.031 1.00 1.33 H new ATOM 540 N GLN A 38 4.710 11.582 4.481 1.00 0.36 N ATOM 541 CA GLN A 38 3.587 11.272 5.361 1.00 0.39 C ATOM 542 C GLN A 38 3.849 10.022 6.200 1.00 0.43 C ATOM 543 O GLN A 38 3.241 9.842 7.256 1.00 0.67 O ATOM 544 CB GLN A 38 2.302 11.098 4.551 1.00 0.42 C ATOM 545 CG GLN A 38 1.749 12.402 3.993 1.00 0.74 C ATOM 546 CD GLN A 38 0.416 12.220 3.296 1.00 1.11 C ATOM 547 OE1 GLN A 38 0.362 11.964 2.094 1.00 1.74 O ATOM 548 NE2 GLN A 38 -0.670 12.354 4.050 1.00 1.84 N ATOM 0 H GLN A 38 4.508 11.487 3.486 1.00 0.36 H new ATOM 0 HA GLN A 38 3.470 12.114 6.044 1.00 0.39 H new ATOM 0 HB2 GLN A 38 2.493 10.412 3.726 1.00 0.42 H new ATOM 0 HB3 GLN A 38 1.545 10.633 5.183 1.00 0.42 H new ATOM 0 HG2 GLN A 38 1.635 13.121 4.805 1.00 0.74 H new ATOM 0 HG3 GLN A 38 2.467 12.826 3.291 1.00 0.74 H new ATOM 0 HE21 GLN A 38 -0.578 12.567 5.043 1.00 1.84 H new ATOM 0 HE22 GLN A 38 -1.595 12.244 3.635 1.00 1.84 H new ATOM 557 N LEU A 39 4.753 9.161 5.737 1.00 0.41 N ATOM 558 CA LEU A 39 5.064 7.934 6.464 1.00 0.53 C ATOM 559 C LEU A 39 6.552 7.597 6.398 1.00 0.51 C ATOM 560 O LEU A 39 7.172 7.296 7.418 1.00 0.61 O ATOM 561 CB LEU A 39 4.242 6.764 5.914 1.00 0.69 C ATOM 562 CG LEU A 39 2.723 6.924 6.026 1.00 0.78 C ATOM 563 CD1 LEU A 39 2.156 7.559 4.764 1.00 1.09 C ATOM 564 CD2 LEU A 39 2.065 5.580 6.291 1.00 1.07 C ATOM 0 H LEU A 39 5.277 9.289 4.871 1.00 0.41 H new ATOM 0 HA LEU A 39 4.803 8.101 7.509 1.00 0.53 H new ATOM 0 HB2 LEU A 39 4.500 6.622 4.865 1.00 0.69 H new ATOM 0 HB3 LEU A 39 4.535 5.856 6.440 1.00 0.69 H new ATOM 0 HG LEU A 39 2.508 7.584 6.866 1.00 0.78 H new ATOM 0 HD11 LEU A 39 1.076 7.664 4.863 1.00 1.09 H new ATOM 0 HD12 LEU A 39 2.604 8.542 4.618 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.382 6.926 3.905 1.00 1.09 H new ATOM 0 HD21 LEU A 39 0.986 5.712 6.368 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.290 4.897 5.472 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.447 5.165 7.224 1.00 1.07 H new ATOM 576 N TYR A 40 7.119 7.646 5.197 1.00 0.46 N ATOM 577 CA TYR A 40 8.533 7.332 5.005 1.00 0.48 C ATOM 578 C TYR A 40 9.318 8.552 4.525 1.00 0.42 C ATOM 579 O TYR A 40 9.563 8.710 3.328 1.00 0.46 O ATOM 580 CB TYR A 40 8.700 6.173 4.013 1.00 0.58 C ATOM 581 CG TYR A 40 7.608 6.078 2.967 1.00 0.63 C ATOM 582 CD1 TYR A 40 6.330 5.660 3.308 1.00 0.99 C ATOM 583 CD2 TYR A 40 7.853 6.419 1.639 1.00 0.89 C ATOM 584 CE1 TYR A 40 5.328 5.579 2.361 1.00 1.38 C ATOM 585 CE2 TYR A 40 6.856 6.339 0.687 1.00 1.30 C ATOM 586 CZ TYR A 40 5.612 5.890 1.037 1.00 1.48 C ATOM 587 OH TYR A 40 4.600 5.842 0.107 1.00 1.97 O ATOM 0 H TYR A 40 6.623 7.900 4.342 1.00 0.46 H new ATOM 0 HA TYR A 40 8.936 7.031 5.972 1.00 0.48 H new ATOM 0 HB2 TYR A 40 9.660 6.279 3.509 1.00 0.58 H new ATOM 0 HB3 TYR A 40 8.734 5.237 4.570 1.00 0.58 H new ATOM 0 HD1 TYR A 40 6.115 5.393 4.332 1.00 0.99 H new ATOM 0 HD2 TYR A 40 8.839 6.751 1.349 1.00 0.89 H new ATOM 0 HE1 TYR A 40 4.332 5.276 2.647 1.00 1.38 H new ATOM 0 HE2 TYR A 40 7.058 6.631 -0.333 1.00 1.30 H new ATOM 0 HH TYR A 40 4.940 5.456 -0.727 1.00 1.97 H new ATOM 597 N PRO A 41 9.729 9.434 5.457 1.00 0.47 N ATOM 598 CA PRO A 41 10.487 10.641 5.117 1.00 0.51 C ATOM 599 C PRO A 41 11.891 10.322 4.612 1.00 0.57 C ATOM 600 O PRO A 41 12.502 11.124 3.905 1.00 0.79 O ATOM 601 CB PRO A 41 10.556 11.408 6.441 1.00 0.66 C ATOM 602 CG PRO A 41 10.398 10.366 7.493 1.00 0.75 C ATOM 603 CD PRO A 41 9.487 9.323 6.909 1.00 0.62 C ATOM 0 HA PRO A 41 10.015 11.202 4.310 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.505 11.934 6.545 1.00 0.66 H new ATOM 0 HB3 PRO A 41 9.768 12.158 6.505 1.00 0.66 H new ATOM 0 HG2 PRO A 41 11.362 9.935 7.763 1.00 0.75 H new ATOM 0 HG3 PRO A 41 9.973 10.791 8.402 1.00 0.75 H new ATOM 0 HD2 PRO A 41 9.726 8.327 7.281 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.444 9.515 7.159 1.00 0.62 H new ATOM 611 N GLU A 42 12.398 9.148 4.977 1.00 0.48 N ATOM 612 CA GLU A 42 13.729 8.728 4.554 1.00 0.55 C ATOM 613 C GLU A 42 13.751 8.422 3.060 1.00 0.57 C ATOM 614 O GLU A 42 14.756 8.650 2.384 1.00 0.71 O ATOM 615 CB GLU A 42 14.183 7.503 5.351 1.00 0.59 C ATOM 616 CG GLU A 42 13.283 6.291 5.175 1.00 0.58 C ATOM 617 CD GLU A 42 13.742 5.102 5.996 1.00 0.72 C ATOM 618 OE1 GLU A 42 14.646 4.375 5.533 1.00 0.94 O ATOM 619 OE2 GLU A 42 13.199 4.898 7.102 1.00 0.87 O ATOM 0 H GLU A 42 11.908 8.472 5.563 1.00 0.48 H new ATOM 0 HA GLU A 42 14.421 9.548 4.748 1.00 0.55 H new ATOM 0 HB2 GLU A 42 15.196 7.239 5.048 1.00 0.59 H new ATOM 0 HB3 GLU A 42 14.224 7.763 6.409 1.00 0.59 H new ATOM 0 HG2 GLU A 42 12.265 6.554 5.461 1.00 0.58 H new ATOM 0 HG3 GLU A 42 13.256 6.012 4.122 1.00 0.58 H new ATOM 626 N VAL A 43 12.636 7.906 2.550 1.00 0.52 N ATOM 627 CA VAL A 43 12.524 7.577 1.135 1.00 0.60 C ATOM 628 C VAL A 43 12.060 8.791 0.330 1.00 0.51 C ATOM 629 O VAL A 43 11.073 9.433 0.689 1.00 0.52 O ATOM 630 CB VAL A 43 11.540 6.404 0.902 1.00 0.74 C ATOM 631 CG1 VAL A 43 10.795 6.557 -0.418 1.00 0.90 C ATOM 632 CG2 VAL A 43 12.274 5.076 0.930 1.00 0.99 C ATOM 0 H VAL A 43 11.798 7.707 3.097 1.00 0.52 H new ATOM 0 HA VAL A 43 13.515 7.275 0.797 1.00 0.60 H new ATOM 0 HB VAL A 43 10.810 6.424 1.711 1.00 0.74 H new ATOM 0 HG11 VAL A 43 10.113 5.717 -0.550 1.00 0.90 H new ATOM 0 HG12 VAL A 43 10.228 7.488 -0.410 1.00 0.90 H new ATOM 0 HG13 VAL A 43 11.511 6.576 -1.240 1.00 0.90 H new ATOM 0 HG21 VAL A 43 11.565 4.265 0.764 1.00 0.99 H new ATOM 0 HG22 VAL A 43 13.031 5.062 0.146 1.00 0.99 H new ATOM 0 HG23 VAL A 43 12.754 4.946 1.900 1.00 0.99 H new ATOM 642 N PRO A 44 12.767 9.131 -0.764 1.00 0.56 N ATOM 643 CA PRO A 44 12.399 10.248 -1.619 1.00 0.54 C ATOM 644 C PRO A 44 11.337 9.828 -2.628 1.00 0.54 C ATOM 645 O PRO A 44 11.174 8.638 -2.898 1.00 0.60 O ATOM 646 CB PRO A 44 13.709 10.615 -2.335 1.00 0.64 C ATOM 647 CG PRO A 44 14.726 9.597 -1.910 1.00 0.67 C ATOM 648 CD PRO A 44 13.973 8.468 -1.261 1.00 0.76 C ATOM 0 HA PRO A 44 11.976 11.082 -1.060 1.00 0.54 H new ATOM 0 HB2 PRO A 44 13.576 10.603 -3.417 1.00 0.64 H new ATOM 0 HB3 PRO A 44 14.030 11.621 -2.065 1.00 0.64 H new ATOM 0 HG2 PRO A 44 15.295 9.238 -2.768 1.00 0.67 H new ATOM 0 HG3 PRO A 44 15.442 10.034 -1.214 1.00 0.67 H new ATOM 0 HD2 PRO A 44 13.736 7.677 -1.973 1.00 0.76 H new ATOM 0 HD3 PRO A 44 14.545 8.010 -0.454 1.00 0.76 H new ATOM 656 N PRO A 45 10.592 10.787 -3.202 1.00 0.56 N ATOM 657 CA PRO A 45 9.547 10.488 -4.181 1.00 0.67 C ATOM 658 C PRO A 45 10.126 10.110 -5.541 1.00 0.77 C ATOM 659 O PRO A 45 9.499 10.329 -6.579 1.00 1.08 O ATOM 660 CB PRO A 45 8.740 11.793 -4.269 1.00 0.72 C ATOM 661 CG PRO A 45 9.284 12.684 -3.194 1.00 0.63 C ATOM 662 CD PRO A 45 10.689 12.227 -2.948 1.00 0.56 C ATOM 0 HA PRO A 45 8.942 9.631 -3.884 1.00 0.67 H new ATOM 0 HB2 PRO A 45 8.848 12.254 -5.251 1.00 0.72 H new ATOM 0 HB3 PRO A 45 7.677 11.606 -4.120 1.00 0.72 H new ATOM 0 HG2 PRO A 45 9.263 13.728 -3.505 1.00 0.63 H new ATOM 0 HG3 PRO A 45 8.685 12.610 -2.286 1.00 0.63 H new ATOM 0 HD2 PRO A 45 11.399 12.712 -3.618 1.00 0.56 H new ATOM 0 HD3 PRO A 45 11.015 12.440 -1.930 1.00 0.56 H new ATOM 670 N GLU A 46 11.326 9.533 -5.524 1.00 0.65 N ATOM 671 CA GLU A 46 12.003 9.112 -6.745 1.00 0.77 C ATOM 672 C GLU A 46 12.685 7.759 -6.548 1.00 0.71 C ATOM 673 O GLU A 46 12.753 6.948 -7.471 1.00 0.81 O ATOM 674 CB GLU A 46 13.036 10.158 -7.166 1.00 0.92 C ATOM 675 CG GLU A 46 12.445 11.538 -7.404 1.00 1.61 C ATOM 676 CD GLU A 46 13.500 12.575 -7.737 1.00 2.17 C ATOM 677 OE1 GLU A 46 13.838 12.716 -8.931 1.00 2.25 O ATOM 678 OE2 GLU A 46 13.987 13.247 -6.804 1.00 3.02 O ATOM 0 H GLU A 46 11.851 9.346 -4.670 1.00 0.65 H new ATOM 0 HA GLU A 46 11.255 9.013 -7.531 1.00 0.77 H new ATOM 0 HB2 GLU A 46 13.803 10.229 -6.395 1.00 0.92 H new ATOM 0 HB3 GLU A 46 13.530 9.822 -8.078 1.00 0.92 H new ATOM 0 HG2 GLU A 46 11.724 11.484 -8.219 1.00 1.61 H new ATOM 0 HG3 GLU A 46 11.899 11.853 -6.515 1.00 1.61 H new ATOM 685 N GLU A 47 13.188 7.525 -5.336 1.00 0.63 N ATOM 686 CA GLU A 47 13.869 6.272 -5.012 1.00 0.66 C ATOM 687 C GLU A 47 12.921 5.282 -4.341 1.00 0.55 C ATOM 688 O GLU A 47 13.348 4.241 -3.843 1.00 0.59 O ATOM 689 CB GLU A 47 15.069 6.544 -4.103 1.00 0.81 C ATOM 690 CG GLU A 47 16.312 6.988 -4.855 1.00 1.25 C ATOM 691 CD GLU A 47 17.480 7.274 -3.931 1.00 1.42 C ATOM 692 OE1 GLU A 47 18.177 6.315 -3.541 1.00 1.62 O ATOM 693 OE2 GLU A 47 17.695 8.458 -3.596 1.00 1.58 O ATOM 0 H GLU A 47 13.137 8.187 -4.562 1.00 0.63 H new ATOM 0 HA GLU A 47 14.216 5.829 -5.945 1.00 0.66 H new ATOM 0 HB2 GLU A 47 14.799 7.312 -3.378 1.00 0.81 H new ATOM 0 HB3 GLU A 47 15.299 5.640 -3.539 1.00 0.81 H new ATOM 0 HG2 GLU A 47 16.598 6.214 -5.567 1.00 1.25 H new ATOM 0 HG3 GLU A 47 16.083 7.883 -5.433 1.00 1.25 H new ATOM 700 N PHE A 48 11.636 5.617 -4.317 1.00 0.48 N ATOM 701 CA PHE A 48 10.630 4.752 -3.712 1.00 0.45 C ATOM 702 C PHE A 48 10.250 3.614 -4.655 1.00 0.41 C ATOM 703 O PHE A 48 9.795 2.558 -4.219 1.00 0.45 O ATOM 704 CB PHE A 48 9.384 5.563 -3.352 1.00 0.54 C ATOM 705 CG PHE A 48 8.566 5.972 -4.547 1.00 1.39 C ATOM 706 CD1 PHE A 48 8.974 7.020 -5.357 1.00 2.39 C ATOM 707 CD2 PHE A 48 7.388 5.312 -4.857 1.00 1.41 C ATOM 708 CE1 PHE A 48 8.224 7.400 -6.454 1.00 3.37 C ATOM 709 CE2 PHE A 48 6.634 5.687 -5.952 1.00 2.36 C ATOM 710 CZ PHE A 48 7.057 6.727 -6.757 1.00 3.35 C ATOM 0 H PHE A 48 11.266 6.482 -4.710 1.00 0.48 H new ATOM 0 HA PHE A 48 11.055 4.322 -2.805 1.00 0.45 H new ATOM 0 HB2 PHE A 48 8.760 4.975 -2.679 1.00 0.54 H new ATOM 0 HB3 PHE A 48 9.687 6.457 -2.807 1.00 0.54 H new ATOM 0 HD1 PHE A 48 9.889 7.546 -5.128 1.00 2.39 H new ATOM 0 HD2 PHE A 48 7.055 4.494 -4.235 1.00 1.41 H new ATOM 0 HE1 PHE A 48 8.550 8.222 -7.073 1.00 3.37 H new ATOM 0 HE2 PHE A 48 5.715 5.168 -6.179 1.00 2.36 H new ATOM 0 HZ PHE A 48 6.476 7.013 -7.621 1.00 3.35 H new ATOM 720 N ARG A 49 10.454 3.840 -5.948 1.00 0.43 N ATOM 721 CA ARG A 49 10.113 2.858 -6.974 1.00 0.47 C ATOM 722 C ARG A 49 10.829 1.517 -6.770 1.00 0.49 C ATOM 723 O ARG A 49 10.180 0.472 -6.763 1.00 0.52 O ATOM 724 CB ARG A 49 10.432 3.412 -8.363 1.00 0.58 C ATOM 725 CG ARG A 49 9.413 3.023 -9.421 1.00 1.06 C ATOM 726 CD ARG A 49 8.112 3.788 -9.241 1.00 1.14 C ATOM 727 NE ARG A 49 7.114 3.414 -10.241 1.00 1.80 N ATOM 728 CZ ARG A 49 6.022 4.130 -10.498 1.00 2.30 C ATOM 729 NH1 ARG A 49 5.787 5.252 -9.830 1.00 2.42 N ATOM 730 NH2 ARG A 49 5.165 3.723 -11.423 1.00 3.07 N ATOM 0 H ARG A 49 10.857 4.702 -6.314 1.00 0.43 H new ATOM 0 HA ARG A 49 9.043 2.669 -6.888 1.00 0.47 H new ATOM 0 HB2 ARG A 49 10.489 4.499 -8.307 1.00 0.58 H new ATOM 0 HB3 ARG A 49 11.416 3.057 -8.670 1.00 0.58 H new ATOM 0 HG2 ARG A 49 9.820 3.222 -10.412 1.00 1.06 H new ATOM 0 HG3 ARG A 49 9.218 1.952 -9.365 1.00 1.06 H new ATOM 0 HD2 ARG A 49 7.715 3.598 -8.244 1.00 1.14 H new ATOM 0 HD3 ARG A 49 8.308 4.858 -9.307 1.00 1.14 H new ATOM 0 HE ARG A 49 7.263 2.556 -10.772 1.00 1.80 H new ATOM 0 HH11 ARG A 49 6.444 5.568 -9.117 1.00 2.42 H new ATOM 0 HH12 ARG A 49 4.949 5.798 -10.030 1.00 2.42 H new ATOM 0 HH21 ARG A 49 5.342 2.861 -11.938 1.00 3.07 H new ATOM 0 HH22 ARG A 49 4.328 4.272 -11.620 1.00 3.07 H new ATOM 744 N PRO A 50 12.172 1.514 -6.607 1.00 0.52 N ATOM 745 CA PRO A 50 12.932 0.270 -6.424 1.00 0.59 C ATOM 746 C PRO A 50 12.388 -0.595 -5.291 1.00 0.58 C ATOM 747 O PRO A 50 12.411 -1.823 -5.381 1.00 0.68 O ATOM 748 CB PRO A 50 14.359 0.745 -6.108 1.00 0.63 C ATOM 749 CG PRO A 50 14.238 2.199 -5.800 1.00 0.58 C ATOM 750 CD PRO A 50 13.054 2.691 -6.579 1.00 0.54 C ATOM 0 HA PRO A 50 12.873 -0.363 -7.309 1.00 0.59 H new ATOM 0 HB2 PRO A 50 14.776 0.198 -5.262 1.00 0.63 H new ATOM 0 HB3 PRO A 50 15.025 0.578 -6.955 1.00 0.63 H new ATOM 0 HG2 PRO A 50 14.096 2.361 -4.731 1.00 0.58 H new ATOM 0 HG3 PRO A 50 15.143 2.735 -6.086 1.00 0.58 H new ATOM 0 HD2 PRO A 50 12.577 3.543 -6.095 1.00 0.54 H new ATOM 0 HD3 PRO A 50 13.334 3.011 -7.583 1.00 0.54 H new ATOM 758 N PHE A 51 11.900 0.039 -4.229 1.00 0.49 N ATOM 759 CA PHE A 51 11.349 -0.703 -3.102 1.00 0.51 C ATOM 760 C PHE A 51 9.860 -0.953 -3.303 1.00 0.45 C ATOM 761 O PHE A 51 9.274 -1.831 -2.669 1.00 0.52 O ATOM 762 CB PHE A 51 11.582 0.044 -1.788 1.00 0.60 C ATOM 763 CG PHE A 51 12.211 -0.812 -0.725 1.00 0.99 C ATOM 764 CD1 PHE A 51 11.520 -1.884 -0.182 1.00 1.29 C ATOM 765 CD2 PHE A 51 13.495 -0.550 -0.276 1.00 1.44 C ATOM 766 CE1 PHE A 51 12.098 -2.677 0.790 1.00 1.88 C ATOM 767 CE2 PHE A 51 14.077 -1.339 0.698 1.00 2.02 C ATOM 768 CZ PHE A 51 13.378 -2.405 1.231 1.00 2.20 C ATOM 0 H PHE A 51 11.875 1.053 -4.126 1.00 0.49 H new ATOM 0 HA PHE A 51 11.864 -1.662 -3.049 1.00 0.51 H new ATOM 0 HB2 PHE A 51 12.221 0.907 -1.976 1.00 0.60 H new ATOM 0 HB3 PHE A 51 10.630 0.427 -1.421 1.00 0.60 H new ATOM 0 HD1 PHE A 51 10.519 -2.102 -0.523 1.00 1.29 H new ATOM 0 HD2 PHE A 51 14.047 0.280 -0.692 1.00 1.44 H new ATOM 0 HE1 PHE A 51 11.549 -3.509 1.205 1.00 1.88 H new ATOM 0 HE2 PHE A 51 15.077 -1.122 1.042 1.00 2.02 H new ATOM 0 HZ PHE A 51 13.832 -3.024 1.991 1.00 2.20 H new ATOM 778 N LEU A 52 9.255 -0.172 -4.191 1.00 0.40 N ATOM 779 CA LEU A 52 7.837 -0.299 -4.486 1.00 0.43 C ATOM 780 C LEU A 52 7.606 -1.286 -5.624 1.00 0.44 C ATOM 781 O LEU A 52 6.468 -1.637 -5.926 1.00 0.50 O ATOM 782 CB LEU A 52 7.251 1.061 -4.853 1.00 0.55 C ATOM 783 CG LEU A 52 5.756 1.213 -4.579 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.495 1.277 -3.083 1.00 1.33 C ATOM 785 CD2 LEU A 52 5.214 2.452 -5.272 1.00 1.15 C ATOM 0 H LEU A 52 9.730 0.559 -4.721 1.00 0.40 H new ATOM 0 HA LEU A 52 7.337 -0.676 -3.594 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.787 1.832 -4.300 1.00 0.55 H new ATOM 0 HB3 LEU A 52 7.432 1.244 -5.912 1.00 0.55 H new ATOM 0 HG LEU A 52 5.238 0.342 -4.980 1.00 0.56 H new ATOM 0 HD11 LEU A 52 4.425 1.385 -2.905 1.00 1.33 H new ATOM 0 HD12 LEU A 52 5.850 0.360 -2.612 1.00 1.33 H new ATOM 0 HD13 LEU A 52 6.022 2.131 -2.658 1.00 1.33 H new ATOM 0 HD21 LEU A 52 4.148 2.546 -5.067 1.00 1.15 H new ATOM 0 HD22 LEU A 52 5.734 3.334 -4.899 1.00 1.15 H new ATOM 0 HD23 LEU A 52 5.371 2.365 -6.347 1.00 1.15 H new ATOM 797 N ALA A 53 8.690 -1.722 -6.260 1.00 0.48 N ATOM 798 CA ALA A 53 8.594 -2.679 -7.358 1.00 0.59 C ATOM 799 C ALA A 53 7.773 -3.887 -6.930 1.00 0.60 C ATOM 800 O ALA A 53 7.089 -4.513 -7.740 1.00 0.76 O ATOM 801 CB ALA A 53 9.982 -3.111 -7.810 1.00 0.67 C ATOM 0 H ALA A 53 9.641 -1.429 -6.035 1.00 0.48 H new ATOM 0 HA ALA A 53 8.094 -2.198 -8.198 1.00 0.59 H new ATOM 0 HB1 ALA A 53 9.892 -3.824 -8.629 1.00 0.67 H new ATOM 0 HB2 ALA A 53 10.542 -2.239 -8.148 1.00 0.67 H new ATOM 0 HB3 ALA A 53 10.507 -3.579 -6.977 1.00 0.67 H new ATOM 807 N LYS A 54 7.854 -4.201 -5.644 1.00 0.51 N ATOM 808 CA LYS A 54 7.115 -5.316 -5.072 1.00 0.55 C ATOM 809 C LYS A 54 5.904 -4.801 -4.298 1.00 0.48 C ATOM 810 O LYS A 54 5.055 -5.577 -3.854 1.00 0.57 O ATOM 811 CB LYS A 54 8.023 -6.124 -4.145 1.00 0.62 C ATOM 812 CG LYS A 54 9.279 -6.642 -4.828 1.00 0.76 C ATOM 813 CD LYS A 54 10.319 -7.104 -3.818 1.00 0.94 C ATOM 814 CE LYS A 54 9.840 -8.315 -3.033 1.00 1.21 C ATOM 815 NZ LYS A 54 10.831 -8.737 -2.006 1.00 1.84 N ATOM 0 H LYS A 54 8.430 -3.693 -4.973 1.00 0.51 H new ATOM 0 HA LYS A 54 6.769 -5.961 -5.880 1.00 0.55 H new ATOM 0 HB2 LYS A 54 8.310 -5.502 -3.297 1.00 0.62 H new ATOM 0 HB3 LYS A 54 7.462 -6.968 -3.745 1.00 0.62 H new ATOM 0 HG2 LYS A 54 9.019 -7.470 -5.488 1.00 0.76 H new ATOM 0 HG3 LYS A 54 9.703 -5.857 -5.454 1.00 0.76 H new ATOM 0 HD2 LYS A 54 11.246 -7.349 -4.336 1.00 0.94 H new ATOM 0 HD3 LYS A 54 10.545 -6.290 -3.129 1.00 0.94 H new ATOM 0 HE2 LYS A 54 8.892 -8.082 -2.549 1.00 1.21 H new ATOM 0 HE3 LYS A 54 9.653 -9.142 -3.719 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 10.598 -9.694 -1.671 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 11.784 -8.738 -2.423 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 10.805 -8.074 -1.205 1.00 1.84 H new ATOM 829 N MET A 55 5.841 -3.483 -4.143 1.00 0.38 N ATOM 830 CA MET A 55 4.752 -2.832 -3.424 1.00 0.34 C ATOM 831 C MET A 55 3.929 -1.933 -4.350 1.00 0.33 C ATOM 832 O MET A 55 3.280 -0.989 -3.897 1.00 0.35 O ATOM 833 CB MET A 55 5.322 -2.011 -2.266 1.00 0.33 C ATOM 834 CG MET A 55 5.404 -2.784 -0.958 1.00 0.42 C ATOM 835 SD MET A 55 3.776 -3.171 -0.290 1.00 1.95 S ATOM 836 CE MET A 55 3.134 -1.528 0.014 1.00 2.78 C ATOM 0 H MET A 55 6.540 -2.838 -4.511 1.00 0.38 H new ATOM 0 HA MET A 55 4.089 -3.605 -3.035 1.00 0.34 H new ATOM 0 HB2 MET A 55 6.318 -1.661 -2.535 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.702 -1.127 -2.118 1.00 0.33 H new ATOM 0 HG2 MET A 55 5.958 -3.709 -1.119 1.00 0.42 H new ATOM 0 HG3 MET A 55 5.965 -2.200 -0.228 1.00 0.42 H new ATOM 0 HE1 MET A 55 2.353 -1.577 0.773 1.00 2.78 H new ATOM 0 HE2 MET A 55 3.939 -0.882 0.364 1.00 2.78 H new ATOM 0 HE3 MET A 55 2.719 -1.123 -0.909 1.00 2.78 H new ATOM 846 N ARG A 56 3.955 -2.236 -5.644 1.00 0.37 N ATOM 847 CA ARG A 56 3.209 -1.458 -6.631 1.00 0.42 C ATOM 848 C ARG A 56 1.923 -2.168 -7.037 1.00 0.41 C ATOM 849 O ARG A 56 0.892 -1.530 -7.249 1.00 0.43 O ATOM 850 CB ARG A 56 4.069 -1.202 -7.872 1.00 0.54 C ATOM 851 CG ARG A 56 4.878 0.083 -7.804 1.00 1.09 C ATOM 852 CD ARG A 56 5.759 0.252 -9.032 1.00 1.35 C ATOM 853 NE ARG A 56 4.977 0.289 -10.265 1.00 1.81 N ATOM 854 CZ ARG A 56 5.509 0.461 -11.472 1.00 2.37 C ATOM 855 NH1 ARG A 56 6.823 0.596 -11.608 1.00 2.58 N ATOM 856 NH2 ARG A 56 4.731 0.493 -12.545 1.00 3.05 N ATOM 0 H ARG A 56 4.485 -3.015 -6.035 1.00 0.37 H new ATOM 0 HA ARG A 56 2.947 -0.505 -6.171 1.00 0.42 H new ATOM 0 HB2 ARG A 56 4.750 -2.042 -8.010 1.00 0.54 H new ATOM 0 HB3 ARG A 56 3.423 -1.168 -8.749 1.00 0.54 H new ATOM 0 HG2 ARG A 56 4.203 0.935 -7.719 1.00 1.09 H new ATOM 0 HG3 ARG A 56 5.498 0.077 -6.908 1.00 1.09 H new ATOM 0 HD2 ARG A 56 6.336 1.172 -8.941 1.00 1.35 H new ATOM 0 HD3 ARG A 56 6.474 -0.569 -9.081 1.00 1.35 H new ATOM 0 HE ARG A 56 3.966 0.177 -10.197 1.00 1.81 H new ATOM 0 HH11 ARG A 56 7.426 0.568 -10.786 1.00 2.58 H new ATOM 0 HH12 ARG A 56 7.229 0.728 -12.534 1.00 2.58 H new ATOM 0 HH21 ARG A 56 3.721 0.386 -12.446 1.00 3.05 H new ATOM 0 HH22 ARG A 56 5.142 0.625 -13.469 1.00 3.05 H new ATOM 870 N GLY A 57 1.992 -3.491 -7.144 1.00 0.43 N ATOM 871 CA GLY A 57 0.832 -4.271 -7.534 1.00 0.45 C ATOM 872 C GLY A 57 -0.369 -4.036 -6.637 1.00 0.39 C ATOM 873 O GLY A 57 -1.512 -4.137 -7.081 1.00 0.48 O ATOM 0 H GLY A 57 2.834 -4.039 -6.967 1.00 0.43 H new ATOM 0 HA2 GLY A 57 0.565 -4.025 -8.562 1.00 0.45 H new ATOM 0 HA3 GLY A 57 1.090 -5.330 -7.516 1.00 0.45 H new ATOM 877 N ILE A 58 -0.109 -3.716 -5.374 1.00 0.41 N ATOM 878 CA ILE A 58 -1.175 -3.472 -4.414 1.00 0.39 C ATOM 879 C ILE A 58 -1.786 -2.089 -4.617 1.00 0.40 C ATOM 880 O ILE A 58 -3.001 -1.916 -4.520 1.00 0.47 O ATOM 881 CB ILE A 58 -0.666 -3.596 -2.964 1.00 0.42 C ATOM 882 CG1 ILE A 58 0.111 -4.900 -2.781 1.00 0.53 C ATOM 883 CG2 ILE A 58 -1.827 -3.531 -1.988 1.00 0.43 C ATOM 884 CD1 ILE A 58 1.606 -4.703 -2.658 1.00 0.71 C ATOM 0 H ILE A 58 0.832 -3.620 -4.993 1.00 0.41 H new ATOM 0 HA ILE A 58 -1.938 -4.231 -4.584 1.00 0.39 H new ATOM 0 HB ILE A 58 0.005 -2.761 -2.761 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -0.254 -5.409 -1.889 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -0.092 -5.556 -3.628 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -1.451 -3.620 -0.969 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -2.345 -2.579 -2.102 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -2.520 -4.348 -2.192 1.00 0.43 H new ATOM 0 HD11 ILE A 58 2.091 -5.671 -2.531 1.00 0.71 H new ATOM 0 HD12 ILE A 58 1.985 -4.223 -3.560 1.00 0.71 H new ATOM 0 HD13 ILE A 58 1.820 -4.073 -1.794 1.00 0.71 H new ATOM 896 N LEU A 59 -0.934 -1.109 -4.902 1.00 0.44 N ATOM 897 CA LEU A 59 -1.388 0.260 -5.125 1.00 0.49 C ATOM 898 C LEU A 59 -2.315 0.328 -6.332 1.00 0.52 C ATOM 899 O LEU A 59 -3.397 0.908 -6.263 1.00 0.56 O ATOM 900 CB LEU A 59 -0.180 1.191 -5.321 1.00 0.58 C ATOM 901 CG LEU A 59 -0.496 2.671 -5.596 1.00 0.88 C ATOM 902 CD1 LEU A 59 -0.815 2.897 -7.068 1.00 1.39 C ATOM 903 CD2 LEU A 59 -1.644 3.158 -4.721 1.00 1.71 C ATOM 0 H LEU A 59 0.075 -1.237 -4.984 1.00 0.44 H new ATOM 0 HA LEU A 59 -1.946 0.589 -4.248 1.00 0.49 H new ATOM 0 HB2 LEU A 59 0.443 1.135 -4.429 1.00 0.58 H new ATOM 0 HB3 LEU A 59 0.415 0.809 -6.150 1.00 0.58 H new ATOM 0 HG LEU A 59 0.393 3.251 -5.346 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -1.035 3.951 -7.235 1.00 1.39 H new ATOM 0 HD12 LEU A 59 0.042 2.604 -7.675 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -1.681 2.297 -7.349 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -1.846 4.207 -4.936 1.00 1.71 H new ATOM 0 HD22 LEU A 59 -2.536 2.567 -4.929 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -1.373 3.049 -3.671 1.00 1.71 H new ATOM 915 N LYS A 60 -1.883 -0.267 -7.440 1.00 0.59 N ATOM 916 CA LYS A 60 -2.677 -0.272 -8.663 1.00 0.68 C ATOM 917 C LYS A 60 -3.923 -1.135 -8.497 1.00 0.65 C ATOM 918 O LYS A 60 -4.882 -1.014 -9.261 1.00 0.74 O ATOM 919 CB LYS A 60 -1.834 -0.779 -9.839 1.00 0.80 C ATOM 920 CG LYS A 60 -1.392 -2.230 -9.702 1.00 0.92 C ATOM 921 CD LYS A 60 -2.388 -3.183 -10.348 1.00 1.07 C ATOM 922 CE LYS A 60 -1.931 -4.629 -10.240 1.00 1.10 C ATOM 923 NZ LYS A 60 -2.922 -5.570 -10.833 1.00 1.60 N ATOM 0 H LYS A 60 -0.988 -0.751 -7.516 1.00 0.59 H new ATOM 0 HA LYS A 60 -2.994 0.750 -8.870 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -2.409 -0.670 -10.759 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -0.951 -0.148 -9.938 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -0.413 -2.358 -10.164 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -1.281 -2.479 -8.647 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -3.361 -3.072 -9.870 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -2.517 -2.919 -11.398 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -0.972 -4.746 -10.745 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -1.772 -4.882 -9.192 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -2.574 -6.545 -10.739 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -3.830 -5.477 -10.335 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 -3.055 -5.345 -11.840 1.00 1.60 H new ATOM 937 N SER A 61 -3.902 -2.006 -7.495 1.00 0.55 N ATOM 938 CA SER A 61 -5.027 -2.895 -7.230 1.00 0.55 C ATOM 939 C SER A 61 -6.127 -2.173 -6.460 1.00 0.57 C ATOM 940 O SER A 61 -7.313 -2.347 -6.738 1.00 0.71 O ATOM 941 CB SER A 61 -4.562 -4.118 -6.439 1.00 0.51 C ATOM 942 OG SER A 61 -5.632 -5.022 -6.222 1.00 1.20 O ATOM 0 H SER A 61 -3.118 -2.116 -6.852 1.00 0.55 H new ATOM 0 HA SER A 61 -5.431 -3.218 -8.189 1.00 0.55 H new ATOM 0 HB2 SER A 61 -3.760 -4.621 -6.980 1.00 0.51 H new ATOM 0 HB3 SER A 61 -4.150 -3.800 -5.481 1.00 0.51 H new ATOM 0 HG SER A 61 -5.309 -5.796 -5.716 1.00 1.20 H new ATOM 948 N ILE A 62 -5.725 -1.366 -5.485 1.00 0.50 N ATOM 949 CA ILE A 62 -6.678 -0.626 -4.666 1.00 0.56 C ATOM 950 C ILE A 62 -7.118 0.680 -5.331 1.00 0.64 C ATOM 951 O ILE A 62 -8.308 0.987 -5.387 1.00 0.70 O ATOM 952 CB ILE A 62 -6.092 -0.312 -3.275 1.00 0.55 C ATOM 953 CG1 ILE A 62 -5.638 -1.605 -2.590 1.00 0.54 C ATOM 954 CG2 ILE A 62 -7.119 0.416 -2.419 1.00 0.65 C ATOM 955 CD1 ILE A 62 -4.910 -1.378 -1.283 1.00 0.79 C ATOM 0 H ILE A 62 -4.747 -1.207 -5.242 1.00 0.50 H new ATOM 0 HA ILE A 62 -7.551 -1.269 -4.556 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.226 0.338 -3.397 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -6.509 -2.233 -2.406 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -4.986 -2.155 -3.268 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -6.690 0.631 -1.440 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -7.401 1.350 -2.905 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -8.002 -0.211 -2.299 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -4.620 -2.338 -0.857 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -4.019 -0.776 -1.463 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -5.566 -0.856 -0.587 1.00 0.79 H new ATOM 967 N ALA A 63 -6.155 1.452 -5.822 1.00 0.68 N ATOM 968 CA ALA A 63 -6.450 2.735 -6.457 1.00 0.79 C ATOM 969 C ALA A 63 -6.824 2.602 -7.934 1.00 0.84 C ATOM 970 O ALA A 63 -7.938 2.942 -8.334 1.00 0.90 O ATOM 971 CB ALA A 63 -5.264 3.675 -6.304 1.00 0.88 C ATOM 0 H ALA A 63 -5.164 1.214 -5.794 1.00 0.68 H new ATOM 0 HA ALA A 63 -7.322 3.145 -5.947 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -5.492 4.629 -6.780 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -5.062 3.837 -5.245 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -4.387 3.234 -6.777 1.00 0.88 H new ATOM 977 N SER A 64 -5.888 2.107 -8.738 1.00 0.88 N ATOM 978 CA SER A 64 -6.097 1.973 -10.180 1.00 1.00 C ATOM 979 C SER A 64 -7.112 0.889 -10.543 1.00 0.96 C ATOM 980 O SER A 64 -7.609 0.862 -11.669 1.00 1.11 O ATOM 981 CB SER A 64 -4.768 1.683 -10.879 1.00 1.13 C ATOM 982 OG SER A 64 -4.945 1.555 -12.279 1.00 1.56 O ATOM 0 H SER A 64 -4.973 1.790 -8.416 1.00 0.88 H new ATOM 0 HA SER A 64 -6.507 2.923 -10.523 1.00 1.00 H new ATOM 0 HB2 SER A 64 -4.061 2.486 -10.671 1.00 1.13 H new ATOM 0 HB3 SER A 64 -4.336 0.766 -10.479 1.00 1.13 H new ATOM 0 HG SER A 64 -4.081 1.371 -12.703 1.00 1.56 H new ATOM 988 N ALA A 65 -7.425 -0.004 -9.609 1.00 0.84 N ATOM 989 CA ALA A 65 -8.375 -1.076 -9.892 1.00 0.84 C ATOM 990 C ALA A 65 -9.566 -1.061 -8.936 1.00 0.75 C ATOM 991 O ALA A 65 -10.696 -1.324 -9.347 1.00 0.82 O ATOM 992 CB ALA A 65 -7.674 -2.426 -9.849 1.00 0.83 C ATOM 0 H ALA A 65 -7.042 -0.009 -8.664 1.00 0.84 H new ATOM 0 HA ALA A 65 -8.767 -0.907 -10.895 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -8.394 -3.217 -10.062 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -6.880 -2.448 -10.595 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -7.246 -2.582 -8.859 1.00 0.83 H new ATOM 998 N ASP A 66 -9.312 -0.752 -7.668 1.00 0.65 N ATOM 999 CA ASP A 66 -10.372 -0.712 -6.662 1.00 0.65 C ATOM 1000 C ASP A 66 -11.097 -2.053 -6.579 1.00 0.66 C ATOM 1001 O ASP A 66 -12.051 -2.300 -7.319 1.00 1.01 O ATOM 1002 CB ASP A 66 -11.370 0.405 -6.979 1.00 0.75 C ATOM 1003 CG ASP A 66 -12.509 0.465 -5.979 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -12.343 1.115 -4.926 1.00 1.08 O ATOM 1005 OD2 ASP A 66 -13.569 -0.138 -6.250 1.00 1.53 O ATOM 0 H ASP A 66 -8.383 -0.526 -7.312 1.00 0.65 H new ATOM 0 HA ASP A 66 -9.910 -0.510 -5.696 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -10.849 1.362 -6.989 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -11.776 0.253 -7.979 1.00 0.75 H new ATOM 1010 N MET A 67 -10.639 -2.915 -5.677 1.00 0.55 N ATOM 1011 CA MET A 67 -11.241 -4.232 -5.500 1.00 0.55 C ATOM 1012 C MET A 67 -11.976 -4.316 -4.164 1.00 0.65 C ATOM 1013 O MET A 67 -11.953 -3.372 -3.373 1.00 0.81 O ATOM 1014 CB MET A 67 -10.164 -5.317 -5.571 1.00 0.49 C ATOM 1015 CG MET A 67 -9.150 -5.098 -6.683 1.00 0.49 C ATOM 1016 SD MET A 67 -9.832 -5.407 -8.323 1.00 1.00 S ATOM 1017 CE MET A 67 -9.963 -7.193 -8.302 1.00 1.52 C ATOM 0 H MET A 67 -9.852 -2.725 -5.057 1.00 0.55 H new ATOM 0 HA MET A 67 -11.962 -4.390 -6.302 1.00 0.55 H new ATOM 0 HB2 MET A 67 -9.640 -5.360 -4.616 1.00 0.49 H new ATOM 0 HB3 MET A 67 -10.644 -6.285 -5.714 1.00 0.49 H new ATOM 0 HG2 MET A 67 -8.781 -4.073 -6.635 1.00 0.49 H new ATOM 0 HG3 MET A 67 -8.294 -5.753 -6.522 1.00 0.49 H new ATOM 0 HE1 MET A 67 -10.827 -7.501 -8.890 1.00 1.52 H new ATOM 0 HE2 MET A 67 -9.060 -7.629 -8.729 1.00 1.52 H new ATOM 0 HE3 MET A 67 -10.082 -7.537 -7.275 1.00 1.52 H new ATOM 1027 N ASP A 68 -12.624 -5.451 -3.916 1.00 0.64 N ATOM 1028 CA ASP A 68 -13.363 -5.655 -2.674 1.00 0.77 C ATOM 1029 C ASP A 68 -12.479 -6.306 -1.614 1.00 0.67 C ATOM 1030 O ASP A 68 -11.263 -6.401 -1.779 1.00 1.22 O ATOM 1031 CB ASP A 68 -14.601 -6.518 -2.924 1.00 1.02 C ATOM 1032 CG ASP A 68 -15.642 -5.806 -3.765 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -15.483 -5.772 -5.003 1.00 1.92 O ATOM 1034 OD2 ASP A 68 -16.618 -5.284 -3.187 1.00 1.91 O ATOM 0 H ASP A 68 -12.652 -6.243 -4.558 1.00 0.64 H new ATOM 0 HA ASP A 68 -13.680 -4.679 -2.307 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -14.303 -7.440 -3.423 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -15.042 -6.801 -1.968 1.00 1.02 H new ATOM 1039 N PHE A 69 -13.100 -6.751 -0.525 1.00 0.74 N ATOM 1040 CA PHE A 69 -12.372 -7.390 0.567 1.00 0.83 C ATOM 1041 C PHE A 69 -12.077 -8.853 0.255 1.00 0.99 C ATOM 1042 O PHE A 69 -11.063 -9.399 0.693 1.00 1.85 O ATOM 1043 CB PHE A 69 -13.171 -7.285 1.870 1.00 1.00 C ATOM 1044 CG PHE A 69 -14.584 -7.785 1.754 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -14.881 -9.119 1.981 1.00 1.82 C ATOM 1046 CD2 PHE A 69 -15.615 -6.921 1.421 1.00 2.08 C ATOM 1047 CE1 PHE A 69 -16.178 -9.583 1.877 1.00 2.52 C ATOM 1048 CE2 PHE A 69 -16.914 -7.378 1.316 1.00 2.91 C ATOM 1049 CZ PHE A 69 -17.196 -8.710 1.536 1.00 3.05 C ATOM 0 H PHE A 69 -14.107 -6.681 -0.375 1.00 0.74 H new ATOM 0 HA PHE A 69 -11.422 -6.869 0.685 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -12.657 -7.851 2.647 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -13.189 -6.244 2.192 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -14.089 -9.805 2.243 1.00 1.82 H new ATOM 0 HD2 PHE A 69 -15.400 -5.878 1.241 1.00 2.08 H new ATOM 0 HE1 PHE A 69 -16.397 -10.624 2.061 1.00 2.52 H new ATOM 0 HE2 PHE A 69 -17.709 -6.692 1.062 1.00 2.91 H new ATOM 0 HZ PHE A 69 -18.210 -9.071 1.442 1.00 3.05 H new ATOM 1059 N ASN A 70 -12.965 -9.485 -0.505 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.798 -10.887 -0.871 1.00 0.89 C ATOM 1061 C ASN A 70 -12.016 -11.021 -2.174 1.00 0.83 C ATOM 1062 O ASN A 70 -11.581 -12.112 -2.540 1.00 1.09 O ATOM 1063 CB ASN A 70 -14.163 -11.565 -1.008 1.00 1.03 C ATOM 1064 CG ASN A 70 -14.053 -13.060 -1.242 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -13.006 -13.673 -0.700 1.00 2.50 O flip ATOM 1066 ND2 ASN A 70 -14.902 -13.660 -1.901 1.00 2.40 N flip ATOM 0 H ASN A 70 -13.808 -9.049 -0.879 1.00 0.86 H new ATOM 0 HA ASN A 70 -12.233 -11.379 -0.079 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -14.746 -11.385 -0.105 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -14.708 -11.111 -1.835 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -15.691 -13.151 -2.300 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -14.817 -14.666 -2.048 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.836 -9.901 -2.869 1.00 0.69 N ATOM 1074 CA GLN A 71 -11.105 -9.895 -4.131 1.00 0.68 C ATOM 1075 C GLN A 71 -9.616 -9.671 -3.898 1.00 0.58 C ATOM 1076 O GLN A 71 -8.776 -10.292 -4.550 1.00 0.72 O ATOM 1077 CB GLN A 71 -11.660 -8.815 -5.062 1.00 0.74 C ATOM 1078 CG GLN A 71 -13.111 -9.041 -5.447 1.00 0.88 C ATOM 1079 CD GLN A 71 -13.582 -8.105 -6.544 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -12.795 -7.662 -7.379 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -14.874 -7.803 -6.548 1.00 1.90 N ATOM 0 H GLN A 71 -12.186 -8.988 -2.579 1.00 0.69 H new ATOM 0 HA GLN A 71 -11.235 -10.870 -4.602 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -11.567 -7.844 -4.576 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -11.053 -8.778 -5.967 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -13.238 -10.072 -5.776 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -13.740 -8.908 -4.567 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -15.491 -8.193 -5.836 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -15.250 -7.181 -7.263 1.00 1.90 H new ATOM 1090 N LEU A 72 -9.293 -8.780 -2.965 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.901 -8.479 -2.647 1.00 0.39 C ATOM 1092 C LEU A 72 -7.226 -9.664 -1.965 1.00 0.41 C ATOM 1093 O LEU A 72 -6.019 -9.864 -2.097 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.806 -7.254 -1.736 1.00 0.40 C ATOM 1095 CG LEU A 72 -8.182 -5.917 -2.366 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -8.028 -4.808 -1.342 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -7.322 -5.636 -3.591 1.00 1.06 C ATOM 0 H LEU A 72 -9.975 -8.255 -2.417 1.00 0.45 H new ATOM 0 HA LEU A 72 -7.389 -8.271 -3.587 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -8.449 -7.419 -0.872 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -6.784 -7.182 -1.364 1.00 0.40 H new ATOM 0 HG LEU A 72 -9.222 -5.961 -2.689 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -8.297 -3.854 -1.795 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -8.682 -5.004 -0.493 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -6.993 -4.768 -1.001 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -7.608 -4.677 -4.024 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -6.272 -5.604 -3.299 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -7.470 -6.425 -4.328 1.00 1.06 H new ATOM 1109 N GLU A 73 -8.013 -10.438 -1.227 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.502 -11.603 -0.511 1.00 0.57 C ATOM 1111 C GLU A 73 -6.785 -12.568 -1.451 1.00 0.59 C ATOM 1112 O GLU A 73 -5.848 -13.259 -1.049 1.00 0.68 O ATOM 1113 CB GLU A 73 -8.647 -12.322 0.205 1.00 0.67 C ATOM 1114 CG GLU A 73 -8.195 -13.498 1.054 1.00 0.75 C ATOM 1115 CD GLU A 73 -9.349 -14.188 1.752 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -9.693 -13.776 2.881 1.00 1.76 O ATOM 1117 OE2 GLU A 73 -9.912 -15.139 1.169 1.00 2.25 O ATOM 0 H GLU A 73 -9.013 -10.279 -1.108 1.00 0.49 H new ATOM 0 HA GLU A 73 -6.778 -11.253 0.224 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -9.172 -11.608 0.840 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -9.363 -12.675 -0.537 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -7.673 -14.218 0.423 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -7.480 -13.150 1.799 1.00 0.75 H new ATOM 1124 N ALA A 74 -7.226 -12.610 -2.703 1.00 0.62 N ATOM 1125 CA ALA A 74 -6.627 -13.496 -3.695 1.00 0.70 C ATOM 1126 C ALA A 74 -5.378 -12.877 -4.314 1.00 0.57 C ATOM 1127 O ALA A 74 -4.563 -13.576 -4.917 1.00 0.60 O ATOM 1128 CB ALA A 74 -7.641 -13.835 -4.778 1.00 0.89 C ATOM 0 H ALA A 74 -7.996 -12.041 -3.055 1.00 0.62 H new ATOM 0 HA ALA A 74 -6.328 -14.413 -3.188 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -7.182 -14.497 -5.512 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -8.501 -14.332 -4.329 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -7.968 -12.919 -5.270 1.00 0.89 H new ATOM 1134 N PHE A 75 -5.234 -11.564 -4.163 1.00 0.49 N ATOM 1135 CA PHE A 75 -4.089 -10.850 -4.718 1.00 0.46 C ATOM 1136 C PHE A 75 -2.891 -10.887 -3.771 1.00 0.38 C ATOM 1137 O PHE A 75 -1.756 -11.100 -4.198 1.00 0.47 O ATOM 1138 CB PHE A 75 -4.472 -9.402 -5.017 1.00 0.55 C ATOM 1139 CG PHE A 75 -3.362 -8.613 -5.645 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -3.207 -8.591 -7.022 1.00 0.76 C ATOM 1141 CD2 PHE A 75 -2.471 -7.903 -4.859 1.00 0.67 C ATOM 1142 CE1 PHE A 75 -2.182 -7.872 -7.604 1.00 0.88 C ATOM 1143 CE2 PHE A 75 -1.443 -7.183 -5.436 1.00 0.82 C ATOM 1144 CZ PHE A 75 -1.299 -7.168 -6.810 1.00 0.91 C ATOM 0 H PHE A 75 -5.896 -10.973 -3.661 1.00 0.49 H new ATOM 0 HA PHE A 75 -3.800 -11.349 -5.643 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -5.337 -9.392 -5.681 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -4.776 -8.915 -4.090 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -3.895 -9.142 -7.646 1.00 0.76 H new ATOM 0 HD2 PHE A 75 -2.581 -7.912 -3.785 1.00 0.67 H new ATOM 0 HE1 PHE A 75 -2.071 -7.860 -8.678 1.00 0.88 H new ATOM 0 HE2 PHE A 75 -0.753 -6.633 -4.814 1.00 0.82 H new ATOM 0 HZ PHE A 75 -0.496 -6.606 -7.263 1.00 0.91 H new ATOM 1154 N LEU A 76 -3.154 -10.671 -2.489 1.00 0.33 N ATOM 1155 CA LEU A 76 -2.106 -10.669 -1.472 1.00 0.36 C ATOM 1156 C LEU A 76 -1.353 -11.999 -1.454 1.00 0.40 C ATOM 1157 O LEU A 76 -0.211 -12.075 -1.002 1.00 0.60 O ATOM 1158 CB LEU A 76 -2.740 -10.400 -0.103 1.00 0.43 C ATOM 1159 CG LEU A 76 -1.868 -9.662 0.922 1.00 0.55 C ATOM 1160 CD1 LEU A 76 -0.657 -10.490 1.314 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -1.432 -8.309 0.384 1.00 0.80 C ATOM 0 H LEU A 76 -4.090 -10.494 -2.125 1.00 0.33 H new ATOM 0 HA LEU A 76 -1.386 -9.885 -1.707 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -3.650 -9.821 -0.257 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -3.039 -11.355 0.328 1.00 0.43 H new ATOM 0 HG LEU A 76 -2.472 -9.503 1.815 1.00 0.55 H new ATOM 0 HD11 LEU A 76 -0.060 -9.940 2.041 1.00 0.82 H new ATOM 0 HD12 LEU A 76 -0.987 -11.431 1.753 1.00 0.82 H new ATOM 0 HD13 LEU A 76 -0.054 -10.694 0.429 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -0.815 -7.804 1.127 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -0.856 -8.450 -0.531 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -2.312 -7.702 0.169 1.00 0.80 H new ATOM 1173 N THR A 77 -1.987 -13.042 -1.971 1.00 0.41 N ATOM 1174 CA THR A 77 -1.384 -14.367 -1.994 1.00 0.49 C ATOM 1175 C THR A 77 -0.484 -14.538 -3.211 1.00 0.47 C ATOM 1176 O THR A 77 0.445 -15.345 -3.199 1.00 0.53 O ATOM 1177 CB THR A 77 -2.460 -15.469 -2.001 1.00 0.63 C ATOM 1178 OG1 THR A 77 -3.446 -15.196 -0.998 1.00 0.73 O ATOM 1179 CG2 THR A 77 -1.840 -16.834 -1.743 1.00 0.71 C ATOM 0 H THR A 77 -2.920 -12.996 -2.381 1.00 0.41 H new ATOM 0 HA THR A 77 -0.784 -14.462 -1.089 1.00 0.49 H new ATOM 0 HB THR A 77 -2.930 -15.479 -2.984 1.00 0.63 H new ATOM 0 HG1 THR A 77 -4.084 -14.535 -1.338 1.00 0.73 H new ATOM 0 HG21 THR A 77 -2.620 -17.596 -1.753 1.00 0.71 H new ATOM 0 HG22 THR A 77 -1.108 -17.054 -2.520 1.00 0.71 H new ATOM 0 HG23 THR A 77 -1.347 -16.832 -0.771 1.00 0.71 H new ATOM 1187 N ALA A 78 -0.758 -13.762 -4.253 1.00 0.45 N ATOM 1188 CA ALA A 78 0.017 -13.824 -5.485 1.00 0.52 C ATOM 1189 C ALA A 78 1.302 -13.018 -5.364 1.00 0.53 C ATOM 1190 O ALA A 78 2.291 -13.301 -6.040 1.00 0.67 O ATOM 1191 CB ALA A 78 -0.813 -13.322 -6.654 1.00 0.60 C ATOM 0 H ALA A 78 -1.516 -13.079 -4.268 1.00 0.45 H new ATOM 0 HA ALA A 78 0.287 -14.865 -5.664 1.00 0.52 H new ATOM 0 HB1 ALA A 78 -0.222 -13.374 -7.568 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -1.703 -13.942 -6.761 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -1.111 -12.289 -6.472 1.00 0.60 H new ATOM 1197 N GLN A 79 1.279 -12.011 -4.499 1.00 0.47 N ATOM 1198 CA GLN A 79 2.442 -11.160 -4.289 1.00 0.53 C ATOM 1199 C GLN A 79 3.407 -11.788 -3.291 1.00 0.54 C ATOM 1200 O GLN A 79 4.418 -11.188 -2.924 1.00 1.06 O ATOM 1201 CB GLN A 79 2.006 -9.778 -3.806 1.00 0.56 C ATOM 1202 CG GLN A 79 1.130 -9.808 -2.570 1.00 0.96 C ATOM 1203 CD GLN A 79 0.672 -8.424 -2.162 1.00 1.23 C ATOM 1204 OE1 GLN A 79 1.503 -7.729 -1.399 1.00 2.20 O flip ATOM 1205 NE2 GLN A 79 -0.412 -7.980 -2.541 1.00 0.61 N flip ATOM 0 H GLN A 79 0.468 -11.764 -3.932 1.00 0.47 H new ATOM 0 HA GLN A 79 2.961 -11.054 -5.242 1.00 0.53 H new ATOM 0 HB2 GLN A 79 2.893 -9.181 -3.596 1.00 0.56 H new ATOM 0 HB3 GLN A 79 1.467 -9.276 -4.610 1.00 0.56 H new ATOM 0 HG2 GLN A 79 0.260 -10.436 -2.758 1.00 0.96 H new ATOM 0 HG3 GLN A 79 1.680 -10.264 -1.747 1.00 0.96 H new ATOM 0 HE21 GLN A 79 -1.020 -8.551 -3.128 1.00 0.61 H new ATOM 0 HE22 GLN A 79 -0.702 -7.041 -2.268 1.00 0.61 H new ATOM 1214 N THR A 80 3.084 -13.002 -2.859 1.00 0.63 N ATOM 1215 CA THR A 80 3.919 -13.726 -1.912 1.00 0.65 C ATOM 1216 C THR A 80 4.378 -15.052 -2.509 1.00 0.64 C ATOM 1217 O THR A 80 5.093 -15.822 -1.869 1.00 0.73 O ATOM 1218 CB THR A 80 3.172 -13.994 -0.591 1.00 0.77 C ATOM 1219 OG1 THR A 80 2.029 -14.825 -0.831 1.00 1.31 O ATOM 1220 CG2 THR A 80 2.727 -12.687 0.052 1.00 0.44 C ATOM 0 H THR A 80 2.247 -13.505 -3.152 1.00 0.63 H new ATOM 0 HA THR A 80 4.786 -13.101 -1.700 1.00 0.65 H new ATOM 0 HB THR A 80 3.854 -14.504 0.089 1.00 0.77 H new ATOM 0 HG1 THR A 80 1.807 -14.808 -1.785 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.202 -12.900 0.983 1.00 0.44 H new ATOM 0 HG22 THR A 80 3.600 -12.069 0.261 1.00 0.44 H new ATOM 0 HG23 THR A 80 2.060 -12.156 -0.627 1.00 0.44 H new ATOM 1228 N LYS A 81 3.955 -15.308 -3.745 1.00 0.68 N ATOM 1229 CA LYS A 81 4.316 -16.534 -4.448 1.00 0.71 C ATOM 1230 C LYS A 81 5.073 -16.217 -5.736 1.00 0.69 C ATOM 1231 O LYS A 81 5.679 -17.100 -6.343 1.00 0.81 O ATOM 1232 CB LYS A 81 3.061 -17.352 -4.763 1.00 0.76 C ATOM 1233 CG LYS A 81 2.008 -16.575 -5.533 1.00 1.54 C ATOM 1234 CD LYS A 81 0.799 -17.439 -5.880 1.00 1.55 C ATOM 1235 CE LYS A 81 0.190 -18.094 -4.649 1.00 2.12 C ATOM 1236 NZ LYS A 81 -1.005 -18.915 -4.992 1.00 3.02 N ATOM 0 H LYS A 81 3.359 -14.678 -4.282 1.00 0.68 H new ATOM 0 HA LYS A 81 4.968 -17.120 -3.801 1.00 0.71 H new ATOM 0 HB2 LYS A 81 3.346 -18.232 -5.340 1.00 0.76 H new ATOM 0 HB3 LYS A 81 2.627 -17.710 -3.830 1.00 0.76 H new ATOM 0 HG2 LYS A 81 1.684 -15.719 -4.941 1.00 1.54 H new ATOM 0 HG3 LYS A 81 2.447 -16.181 -6.450 1.00 1.54 H new ATOM 0 HD2 LYS A 81 0.045 -16.825 -6.374 1.00 1.55 H new ATOM 0 HD3 LYS A 81 1.097 -18.210 -6.590 1.00 1.55 H new ATOM 0 HE2 LYS A 81 0.937 -18.724 -4.166 1.00 2.12 H new ATOM 0 HE3 LYS A 81 -0.092 -17.325 -3.930 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 -1.391 -19.344 -4.127 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 -1.728 -18.309 -5.430 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 -0.731 -19.665 -5.658 1.00 3.02 H new ATOM 1250 N LYS A 82 5.032 -14.950 -6.143 1.00 0.66 N ATOM 1251 CA LYS A 82 5.718 -14.508 -7.355 1.00 0.74 C ATOM 1252 C LYS A 82 7.225 -14.704 -7.225 1.00 0.78 C ATOM 1253 O LYS A 82 7.709 -15.191 -6.204 1.00 0.83 O ATOM 1254 CB LYS A 82 5.420 -13.031 -7.626 1.00 0.72 C ATOM 1255 CG LYS A 82 5.899 -12.104 -6.523 1.00 0.67 C ATOM 1256 CD LYS A 82 5.936 -10.654 -6.981 1.00 0.77 C ATOM 1257 CE LYS A 82 4.617 -9.947 -6.716 1.00 0.76 C ATOM 1258 NZ LYS A 82 4.621 -8.550 -7.230 1.00 1.09 N ATOM 0 H LYS A 82 4.530 -14.211 -5.651 1.00 0.66 H new ATOM 0 HA LYS A 82 5.353 -15.110 -8.187 1.00 0.74 H new ATOM 0 HB2 LYS A 82 5.891 -12.740 -8.565 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.345 -12.903 -7.756 1.00 0.72 H new ATOM 0 HG2 LYS A 82 5.240 -12.196 -5.659 1.00 0.67 H new ATOM 0 HG3 LYS A 82 6.894 -12.408 -6.199 1.00 0.67 H new ATOM 0 HD2 LYS A 82 6.740 -10.130 -6.465 1.00 0.77 H new ATOM 0 HD3 LYS A 82 6.162 -10.615 -8.046 1.00 0.77 H new ATOM 0 HE2 LYS A 82 3.806 -10.504 -7.186 1.00 0.76 H new ATOM 0 HE3 LYS A 82 4.419 -9.939 -5.644 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 3.703 -8.104 -7.029 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 5.378 -8.011 -6.764 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 4.784 -8.558 -8.257 1.00 1.09 H new ATOM 1272 N GLN A 83 7.961 -14.323 -8.266 1.00 0.87 N ATOM 1273 CA GLN A 83 9.414 -14.441 -8.253 1.00 0.96 C ATOM 1274 C GLN A 83 9.983 -13.623 -7.102 1.00 0.80 C ATOM 1275 O GLN A 83 10.196 -12.417 -7.227 1.00 0.80 O ATOM 1276 CB GLN A 83 10.001 -13.963 -9.581 1.00 1.22 C ATOM 1277 CG GLN A 83 9.362 -14.617 -10.795 1.00 1.37 C ATOM 1278 CD GLN A 83 9.903 -14.071 -12.102 1.00 1.96 C ATOM 1279 OE1 GLN A 83 9.373 -13.104 -12.650 1.00 2.49 O ATOM 1280 NE2 GLN A 83 10.964 -14.688 -12.606 1.00 2.57 N ATOM 0 H GLN A 83 7.576 -13.932 -9.125 1.00 0.87 H new ATOM 0 HA GLN A 83 9.683 -15.488 -8.116 1.00 0.96 H new ATOM 0 HB2 GLN A 83 9.881 -12.882 -9.655 1.00 1.22 H new ATOM 0 HB3 GLN A 83 11.072 -14.166 -9.590 1.00 1.22 H new ATOM 0 HG2 GLN A 83 9.533 -15.693 -10.756 1.00 1.37 H new ATOM 0 HG3 GLN A 83 8.283 -14.464 -10.760 1.00 1.37 H new ATOM 0 HE21 GLN A 83 11.370 -15.486 -12.117 1.00 2.57 H new ATOM 0 HE22 GLN A 83 11.374 -14.365 -13.482 1.00 2.57 H new ATOM 1289 N GLY A 84 10.222 -14.287 -5.977 1.00 0.98 N ATOM 1290 CA GLY A 84 10.732 -13.601 -4.807 1.00 1.14 C ATOM 1291 C GLY A 84 9.601 -13.107 -3.931 1.00 1.22 C ATOM 1292 O GLY A 84 9.341 -13.666 -2.865 1.00 2.05 O ATOM 0 H GLY A 84 10.071 -15.288 -5.855 1.00 0.98 H new ATOM 0 HA2 GLY A 84 11.371 -14.275 -4.236 1.00 1.14 H new ATOM 0 HA3 GLY A 84 11.352 -12.759 -5.116 1.00 1.14 H new ATOM 1296 N GLY A 85 8.922 -12.058 -4.390 1.00 0.69 N ATOM 1297 CA GLY A 85 7.804 -11.508 -3.652 1.00 0.69 C ATOM 1298 C GLY A 85 8.178 -11.045 -2.262 1.00 0.66 C ATOM 1299 O GLY A 85 9.294 -11.271 -1.796 1.00 0.91 O ATOM 0 H GLY A 85 9.130 -11.579 -5.266 1.00 0.69 H new ATOM 0 HA2 GLY A 85 7.388 -10.668 -4.208 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.020 -12.261 -3.578 1.00 0.69 H new ATOM 1303 N ILE A 86 7.234 -10.390 -1.601 1.00 0.49 N ATOM 1304 CA ILE A 86 7.447 -9.886 -0.256 1.00 0.48 C ATOM 1305 C ILE A 86 7.502 -11.026 0.756 1.00 0.50 C ATOM 1306 O ILE A 86 7.247 -12.181 0.416 1.00 0.53 O ATOM 1307 CB ILE A 86 6.329 -8.905 0.131 1.00 0.45 C ATOM 1308 CG1 ILE A 86 4.973 -9.619 0.111 1.00 0.43 C ATOM 1309 CG2 ILE A 86 6.333 -7.725 -0.830 1.00 0.50 C ATOM 1310 CD1 ILE A 86 3.809 -8.737 0.508 1.00 0.45 C ATOM 0 H ILE A 86 6.307 -10.195 -1.980 1.00 0.49 H new ATOM 0 HA ILE A 86 8.404 -9.365 -0.243 1.00 0.48 H new ATOM 0 HB ILE A 86 6.503 -8.534 1.141 1.00 0.45 H new ATOM 0 HG12 ILE A 86 4.794 -10.010 -0.891 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.014 -10.475 0.785 1.00 0.43 H new ATOM 0 HG21 ILE A 86 5.540 -7.029 -0.555 1.00 0.50 H new ATOM 0 HG22 ILE A 86 7.296 -7.217 -0.778 1.00 0.50 H new ATOM 0 HG23 ILE A 86 6.166 -8.083 -1.846 1.00 0.50 H new ATOM 0 HD11 ILE A 86 2.885 -9.314 0.469 1.00 0.45 H new ATOM 0 HD12 ILE A 86 3.963 -8.366 1.521 1.00 0.45 H new ATOM 0 HD13 ILE A 86 3.740 -7.895 -0.180 1.00 0.45 H new ATOM 1322 N THR A 87 7.835 -10.695 1.998 1.00 0.52 N ATOM 1323 CA THR A 87 7.925 -11.693 3.055 1.00 0.57 C ATOM 1324 C THR A 87 6.578 -11.895 3.739 1.00 0.51 C ATOM 1325 O THR A 87 5.614 -11.183 3.454 1.00 0.48 O ATOM 1326 CB THR A 87 8.971 -11.299 4.113 1.00 0.64 C ATOM 1327 OG1 THR A 87 8.594 -10.066 4.736 1.00 1.18 O ATOM 1328 CG2 THR A 87 10.349 -11.155 3.483 1.00 1.27 C ATOM 0 H THR A 87 8.047 -9.743 2.297 1.00 0.52 H new ATOM 0 HA THR A 87 8.232 -12.626 2.582 1.00 0.57 H new ATOM 0 HB THR A 87 9.013 -12.088 4.864 1.00 0.64 H new ATOM 0 HG1 THR A 87 9.263 -9.822 5.409 1.00 1.18 H new ATOM 0 HG21 THR A 87 11.072 -10.876 4.249 1.00 1.27 H new ATOM 0 HG22 THR A 87 10.644 -12.103 3.033 1.00 1.27 H new ATOM 0 HG23 THR A 87 10.319 -10.383 2.714 1.00 1.27 H new ATOM 1336 N SER A 88 6.516 -12.871 4.640 1.00 0.56 N ATOM 1337 CA SER A 88 5.285 -13.165 5.365 1.00 0.53 C ATOM 1338 C SER A 88 4.879 -11.991 6.251 1.00 0.48 C ATOM 1339 O SER A 88 3.713 -11.599 6.281 1.00 0.48 O ATOM 1340 CB SER A 88 5.460 -14.423 6.216 1.00 0.62 C ATOM 1341 OG SER A 88 5.777 -15.544 5.410 1.00 1.53 O ATOM 0 H SER A 88 7.303 -13.471 4.885 1.00 0.56 H new ATOM 0 HA SER A 88 4.494 -13.334 4.634 1.00 0.53 H new ATOM 0 HB2 SER A 88 6.251 -14.263 6.949 1.00 0.62 H new ATOM 0 HB3 SER A 88 4.544 -14.619 6.773 1.00 0.62 H new ATOM 0 HG SER A 88 5.885 -16.335 5.978 1.00 1.53 H new ATOM 1347 N ASP A 89 5.850 -11.437 6.972 1.00 0.51 N ATOM 1348 CA ASP A 89 5.594 -10.308 7.861 1.00 0.51 C ATOM 1349 C ASP A 89 5.084 -9.104 7.075 1.00 0.44 C ATOM 1350 O ASP A 89 4.375 -8.254 7.615 1.00 0.45 O ATOM 1351 CB ASP A 89 6.866 -9.934 8.624 1.00 0.59 C ATOM 1352 CG ASP A 89 7.372 -11.068 9.495 1.00 1.48 C ATOM 1353 OD1 ASP A 89 6.932 -11.164 10.660 1.00 1.85 O ATOM 1354 OD2 ASP A 89 8.206 -11.860 9.011 1.00 2.34 O ATOM 0 H ASP A 89 6.820 -11.751 6.958 1.00 0.51 H new ATOM 0 HA ASP A 89 4.826 -10.605 8.575 1.00 0.51 H new ATOM 0 HB2 ASP A 89 7.643 -9.651 7.914 1.00 0.59 H new ATOM 0 HB3 ASP A 89 6.670 -9.061 9.246 1.00 0.59 H new ATOM 1359 N GLN A 90 5.450 -9.038 5.799 1.00 0.44 N ATOM 1360 CA GLN A 90 5.023 -7.942 4.936 1.00 0.42 C ATOM 1361 C GLN A 90 3.619 -8.195 4.401 1.00 0.39 C ATOM 1362 O GLN A 90 2.849 -7.262 4.181 1.00 0.52 O ATOM 1363 CB GLN A 90 6.004 -7.767 3.772 1.00 0.49 C ATOM 1364 CG GLN A 90 7.353 -7.206 4.196 1.00 0.59 C ATOM 1365 CD GLN A 90 8.306 -7.012 3.031 1.00 0.75 C ATOM 1366 OE1 GLN A 90 7.760 -6.695 1.862 1.00 1.63 O flip ATOM 1367 NE2 GLN A 90 9.521 -7.137 3.182 1.00 0.91 N flip ATOM 0 H GLN A 90 6.041 -9.731 5.339 1.00 0.44 H new ATOM 0 HA GLN A 90 5.010 -7.027 5.528 1.00 0.42 H new ATOM 0 HB2 GLN A 90 6.156 -8.731 3.287 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.560 -7.104 3.030 1.00 0.49 H new ATOM 0 HG2 GLN A 90 7.202 -6.250 4.698 1.00 0.59 H new ATOM 0 HG3 GLN A 90 7.808 -7.879 4.923 1.00 0.59 H new ATOM 0 HE21 GLN A 90 9.899 -7.382 4.097 1.00 0.91 H new ATOM 0 HE22 GLN A 90 10.150 -6.996 2.392 1.00 0.91 H new ATOM 1376 N ALA A 91 3.294 -9.468 4.205 1.00 0.37 N ATOM 1377 CA ALA A 91 1.986 -9.859 3.693 1.00 0.37 C ATOM 1378 C ALA A 91 0.889 -9.643 4.730 1.00 0.34 C ATOM 1379 O ALA A 91 -0.290 -9.568 4.391 1.00 0.40 O ATOM 1380 CB ALA A 91 2.016 -11.315 3.254 1.00 0.45 C ATOM 0 H ALA A 91 3.921 -10.250 4.394 1.00 0.37 H new ATOM 0 HA ALA A 91 1.758 -9.227 2.835 1.00 0.37 H new ATOM 0 HB1 ALA A 91 1.036 -11.600 2.873 1.00 0.45 H new ATOM 0 HB2 ALA A 91 2.762 -11.443 2.470 1.00 0.45 H new ATOM 0 HB3 ALA A 91 2.272 -11.946 4.105 1.00 0.45 H new ATOM 1386 N ALA A 92 1.283 -9.542 5.995 1.00 0.31 N ATOM 1387 CA ALA A 92 0.330 -9.352 7.085 1.00 0.33 C ATOM 1388 C ALA A 92 -0.233 -7.934 7.122 1.00 0.28 C ATOM 1389 O ALA A 92 -1.449 -7.745 7.157 1.00 0.34 O ATOM 1390 CB ALA A 92 0.986 -9.688 8.414 1.00 0.40 C ATOM 0 H ALA A 92 2.258 -9.589 6.292 1.00 0.31 H new ATOM 0 HA ALA A 92 -0.506 -10.028 6.907 1.00 0.33 H new ATOM 0 HB1 ALA A 92 0.268 -9.543 9.221 1.00 0.40 H new ATOM 0 HB2 ALA A 92 1.317 -10.727 8.404 1.00 0.40 H new ATOM 0 HB3 ALA A 92 1.845 -9.035 8.571 1.00 0.40 H new ATOM 1396 N VAL A 93 0.650 -6.941 7.114 1.00 0.26 N ATOM 1397 CA VAL A 93 0.226 -5.547 7.170 1.00 0.30 C ATOM 1398 C VAL A 93 -0.497 -5.117 5.893 1.00 0.28 C ATOM 1399 O VAL A 93 -1.381 -4.260 5.935 1.00 0.35 O ATOM 1400 CB VAL A 93 1.427 -4.608 7.446 1.00 0.41 C ATOM 1401 CG1 VAL A 93 1.727 -3.706 6.254 1.00 0.43 C ATOM 1402 CG2 VAL A 93 1.172 -3.784 8.698 1.00 0.55 C ATOM 0 H VAL A 93 1.660 -7.075 7.069 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.479 -5.465 7.997 1.00 0.30 H new ATOM 0 HB VAL A 93 2.307 -5.230 7.607 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.576 -3.063 6.488 1.00 0.43 H new ATOM 0 HG12 VAL A 93 1.965 -4.319 5.385 1.00 0.43 H new ATOM 0 HG13 VAL A 93 0.855 -3.090 6.035 1.00 0.43 H new ATOM 0 HG21 VAL A 93 2.023 -3.128 8.881 1.00 0.55 H new ATOM 0 HG22 VAL A 93 0.273 -3.183 8.561 1.00 0.55 H new ATOM 0 HG23 VAL A 93 1.037 -4.450 9.550 1.00 0.55 H new ATOM 1412 N ILE A 94 -0.125 -5.711 4.763 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.744 -5.367 3.485 1.00 0.25 C ATOM 1414 C ILE A 94 -2.082 -6.075 3.299 1.00 0.25 C ATOM 1415 O ILE A 94 -3.011 -5.504 2.742 1.00 0.28 O ATOM 1416 CB ILE A 94 0.179 -5.700 2.296 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.570 -5.109 2.526 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.415 -5.164 1.000 1.00 0.31 C ATOM 1419 CD1 ILE A 94 2.607 -5.606 1.542 1.00 0.52 C ATOM 0 H ILE A 94 0.597 -6.429 4.705 1.00 0.24 H new ATOM 0 HA ILE A 94 -0.915 -4.291 3.507 1.00 0.25 H new ATOM 0 HB ILE A 94 0.268 -6.783 2.216 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.510 -4.023 2.461 1.00 0.40 H new ATOM 0 HG13 ILE A 94 1.896 -5.350 3.538 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.247 -5.406 0.169 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.391 -5.619 0.831 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.527 -4.082 1.071 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.570 -5.146 1.764 1.00 0.52 H new ATOM 0 HD12 ILE A 94 2.696 -6.689 1.623 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.304 -5.341 0.529 1.00 0.52 H new ATOM 1431 N SER A 95 -2.176 -7.319 3.764 1.00 0.27 N ATOM 1432 CA SER A 95 -3.416 -8.090 3.646 1.00 0.34 C ATOM 1433 C SER A 95 -4.575 -7.375 4.334 1.00 0.39 C ATOM 1434 O SER A 95 -5.742 -7.696 4.110 1.00 0.47 O ATOM 1435 CB SER A 95 -3.238 -9.481 4.255 1.00 0.40 C ATOM 1436 OG SER A 95 -4.422 -10.249 4.124 1.00 0.49 O ATOM 0 H SER A 95 -1.413 -7.815 4.225 1.00 0.27 H new ATOM 0 HA SER A 95 -3.648 -8.187 2.585 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.411 -9.994 3.763 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.975 -9.389 5.309 1.00 0.40 H new ATOM 0 HG SER A 95 -5.181 -9.653 3.955 1.00 0.49 H new ATOM 1442 N LYS A 96 -4.236 -6.411 5.177 1.00 0.38 N ATOM 1443 CA LYS A 96 -5.225 -5.642 5.921 1.00 0.46 C ATOM 1444 C LYS A 96 -5.810 -4.510 5.076 1.00 0.45 C ATOM 1445 O LYS A 96 -6.632 -3.728 5.555 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.584 -5.083 7.190 1.00 0.50 C ATOM 1447 CG LYS A 96 -3.972 -6.162 8.068 1.00 0.57 C ATOM 1448 CD LYS A 96 -2.941 -5.589 9.029 1.00 0.80 C ATOM 1449 CE LYS A 96 -3.601 -4.779 10.133 1.00 1.32 C ATOM 1450 NZ LYS A 96 -2.597 -4.107 11.004 1.00 2.12 N ATOM 0 H LYS A 96 -3.271 -6.140 5.365 1.00 0.38 H new ATOM 0 HA LYS A 96 -6.047 -6.306 6.188 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -3.812 -4.364 6.915 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.336 -4.540 7.762 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -4.759 -6.660 8.634 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -3.503 -6.919 7.440 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -2.361 -6.400 9.468 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -2.242 -4.958 8.481 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -4.258 -4.030 9.691 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -4.227 -5.434 10.739 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -3.087 -3.565 11.744 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -1.986 -4.823 11.446 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -2.016 -3.463 10.431 1.00 2.12 H new ATOM 1464 N PHE A 97 -5.373 -4.426 3.821 1.00 0.39 N ATOM 1465 CA PHE A 97 -5.832 -3.381 2.903 1.00 0.40 C ATOM 1466 C PHE A 97 -7.361 -3.302 2.768 1.00 0.48 C ATOM 1467 O PHE A 97 -7.865 -2.433 2.055 1.00 0.56 O ATOM 1468 CB PHE A 97 -5.184 -3.533 1.512 1.00 0.37 C ATOM 1469 CG PHE A 97 -5.093 -4.943 0.961 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -5.773 -6.005 1.542 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.300 -5.198 -0.148 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -5.662 -7.283 1.027 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -4.187 -6.476 -0.665 1.00 0.50 C ATOM 1474 CZ PHE A 97 -4.867 -7.518 -0.075 1.00 0.53 C ATOM 0 H PHE A 97 -4.698 -5.072 3.413 1.00 0.39 H new ATOM 0 HA PHE A 97 -5.509 -2.441 3.352 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -5.748 -2.925 0.804 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -4.177 -3.118 1.557 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.396 -5.830 2.407 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -3.762 -4.386 -0.615 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.199 -8.099 1.488 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -3.566 -6.656 -1.530 1.00 0.50 H new ATOM 0 HZ PHE A 97 -4.778 -8.517 -0.475 1.00 0.53 H new ATOM 1484 N TRP A 98 -8.107 -4.189 3.434 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.569 -4.135 3.357 1.00 0.63 C ATOM 1486 C TRP A 98 -10.226 -4.240 4.734 1.00 0.69 C ATOM 1487 O TRP A 98 -11.389 -3.874 4.893 1.00 0.78 O ATOM 1488 CB TRP A 98 -10.136 -5.212 2.419 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.657 -6.606 2.694 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -8.786 -7.326 1.933 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -10.041 -7.462 3.781 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -8.583 -8.565 2.487 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.343 -8.674 3.621 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -10.896 -7.319 4.878 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -9.477 -9.735 4.513 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -11.028 -8.374 5.762 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -10.321 -9.567 5.575 1.00 1.00 C ATOM 0 H TRP A 98 -7.733 -4.936 4.019 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.811 -3.157 2.941 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -11.224 -5.197 2.488 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -9.878 -4.951 1.393 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -8.322 -6.972 1.024 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -7.966 -9.287 2.115 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.444 -6.401 5.032 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -8.934 -10.657 4.371 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -11.688 -8.276 6.611 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -10.445 -10.372 6.285 1.00 1.00 H new ATOM 1508 N LYS A 99 -9.491 -4.729 5.730 1.00 0.75 N ATOM 1509 CA LYS A 99 -10.048 -4.867 7.074 1.00 0.91 C ATOM 1510 C LYS A 99 -10.035 -3.533 7.813 1.00 1.11 C ATOM 1511 O LYS A 99 -10.573 -3.415 8.914 1.00 1.33 O ATOM 1512 CB LYS A 99 -9.288 -5.933 7.874 1.00 0.90 C ATOM 1513 CG LYS A 99 -7.811 -5.623 8.102 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.581 -4.683 9.282 1.00 1.38 C ATOM 1515 CE LYS A 99 -8.211 -5.209 10.562 1.00 1.51 C ATOM 1516 NZ LYS A 99 -7.895 -4.346 11.734 1.00 1.67 N ATOM 0 H LYS A 99 -8.522 -5.033 5.635 1.00 0.75 H new ATOM 0 HA LYS A 99 -11.085 -5.188 6.973 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -9.773 -6.057 8.842 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -9.369 -6.887 7.352 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -7.271 -6.554 8.274 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.395 -5.175 7.200 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -6.510 -4.548 9.434 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -7.996 -3.702 9.050 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -9.292 -5.268 10.436 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -7.856 -6.222 10.751 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -8.343 -4.740 12.586 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -6.865 -4.309 11.870 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -8.256 -3.385 11.565 1.00 1.67 H new ATOM 1530 N SER A 100 -9.412 -2.532 7.202 1.00 1.14 N ATOM 1531 CA SER A 100 -9.328 -1.206 7.801 1.00 1.47 C ATOM 1532 C SER A 100 -10.545 -0.359 7.439 1.00 1.74 C ATOM 1533 O SER A 100 -10.812 0.660 8.076 1.00 2.07 O ATOM 1534 CB SER A 100 -8.046 -0.501 7.352 1.00 1.57 C ATOM 1535 OG SER A 100 -7.976 -0.419 5.939 1.00 2.19 O ATOM 0 H SER A 100 -8.958 -2.614 6.292 1.00 1.14 H new ATOM 0 HA SER A 100 -9.308 -1.328 8.884 1.00 1.47 H new ATOM 0 HB2 SER A 100 -8.010 0.501 7.780 1.00 1.57 H new ATOM 0 HB3 SER A 100 -7.179 -1.041 7.731 1.00 1.57 H new ATOM 0 HG SER A 100 -8.608 0.258 5.619 1.00 2.19 H new ATOM 1541 N HIS A 101 -11.280 -0.786 6.415 1.00 1.68 N ATOM 1542 CA HIS A 101 -12.463 -0.054 5.971 1.00 2.03 C ATOM 1543 C HIS A 101 -13.663 -0.981 5.797 1.00 2.09 C ATOM 1544 O HIS A 101 -14.761 -0.525 5.473 1.00 2.46 O ATOM 1545 CB HIS A 101 -12.177 0.672 4.656 1.00 2.13 C ATOM 1546 CG HIS A 101 -11.102 1.707 4.764 1.00 2.57 C ATOM 1547 ND1 HIS A 101 -9.766 1.625 4.552 1.00 3.26 N flip ATOM 1548 CD2 HIS A 101 -11.350 3.013 5.131 1.00 3.02 C flip ATOM 1549 CE1 HIS A 101 -9.240 2.870 4.792 1.00 3.83 C flip ATOM 1550 NE2 HIS A 101 -10.215 3.690 5.140 1.00 3.65 N flip ATOM 0 H HIS A 101 -11.079 -1.631 5.880 1.00 1.68 H new ATOM 0 HA HIS A 101 -12.706 0.676 6.743 1.00 2.03 H new ATOM 0 HB2 HIS A 101 -11.890 -0.060 3.901 1.00 2.13 H new ATOM 0 HB3 HIS A 101 -13.093 1.147 4.306 1.00 2.13 H new ATOM 0 HD2 HIS A 101 -12.321 3.419 5.373 1.00 3.02 H new ATOM 0 HE1 HIS A 101 -8.197 3.136 4.710 1.00 3.83 H new ATOM 0 HE2 HIS A 101 -10.110 4.677 5.375 1.00 3.65 H new ATOM 1559 N LYS A 102 -13.458 -2.279 6.004 1.00 1.89 N ATOM 1560 CA LYS A 102 -14.536 -3.243 5.865 1.00 2.04 C ATOM 1561 C LYS A 102 -14.531 -4.257 7.006 1.00 2.27 C ATOM 1562 O LYS A 102 -13.767 -5.222 6.992 1.00 2.71 O ATOM 1563 CB LYS A 102 -14.413 -3.964 4.527 1.00 2.00 C ATOM 1564 CG LYS A 102 -14.692 -3.080 3.324 1.00 2.32 C ATOM 1565 CD LYS A 102 -16.164 -2.717 3.226 1.00 2.80 C ATOM 1566 CE LYS A 102 -16.439 -1.838 2.017 1.00 3.44 C ATOM 1567 NZ LYS A 102 -17.896 -1.597 1.828 1.00 4.27 N ATOM 0 H LYS A 102 -12.559 -2.682 6.267 1.00 1.89 H new ATOM 0 HA LYS A 102 -15.481 -2.701 5.904 1.00 2.04 H new ATOM 0 HB2 LYS A 102 -13.407 -4.375 4.438 1.00 2.00 H new ATOM 0 HB3 LYS A 102 -15.104 -4.807 4.515 1.00 2.00 H new ATOM 0 HG2 LYS A 102 -14.096 -2.170 3.395 1.00 2.32 H new ATOM 0 HG3 LYS A 102 -14.382 -3.594 2.414 1.00 2.32 H new ATOM 0 HD2 LYS A 102 -16.761 -3.627 3.160 1.00 2.80 H new ATOM 0 HD3 LYS A 102 -16.473 -2.198 4.133 1.00 2.80 H new ATOM 0 HE2 LYS A 102 -15.925 -0.884 2.137 1.00 3.44 H new ATOM 0 HE3 LYS A 102 -16.030 -2.310 1.124 1.00 3.44 H new ATOM 0 HZ1 LYS A 102 -18.043 -0.994 0.994 1.00 4.27 H new ATOM 0 HZ2 LYS A 102 -18.383 -2.505 1.688 1.00 4.27 H new ATOM 0 HZ3 LYS A 102 -18.282 -1.123 2.670 1.00 4.27 H new ATOM 1581 N THR A 103 -15.388 -4.022 7.994 1.00 2.56 N ATOM 1582 CA THR A 103 -15.507 -4.905 9.153 1.00 2.99 C ATOM 1583 C THR A 103 -16.724 -4.522 9.988 1.00 3.33 C ATOM 1584 O THR A 103 -17.774 -5.161 9.905 1.00 3.84 O ATOM 1585 CB THR A 103 -14.237 -4.876 10.039 1.00 3.28 C ATOM 1586 OG1 THR A 103 -14.588 -4.991 11.419 1.00 3.44 O ATOM 1587 CG2 THR A 103 -13.431 -3.602 9.823 1.00 3.09 C ATOM 0 H THR A 103 -16.017 -3.219 8.016 1.00 2.56 H new ATOM 0 HA THR A 103 -15.627 -5.920 8.773 1.00 2.99 H new ATOM 0 HB THR A 103 -13.619 -5.726 9.749 1.00 3.28 H new ATOM 0 HG1 THR A 103 -13.775 -4.973 11.966 1.00 3.44 H new ATOM 0 HG21 THR A 103 -12.548 -3.618 10.461 1.00 3.09 H new ATOM 0 HG22 THR A 103 -13.123 -3.539 8.779 1.00 3.09 H new ATOM 0 HG23 THR A 103 -14.044 -2.737 10.073 1.00 3.09 H new ATOM 1595 N LYS A 104 -16.573 -3.477 10.792 1.00 3.34 N ATOM 1596 CA LYS A 104 -17.654 -2.980 11.632 1.00 3.66 C ATOM 1597 C LYS A 104 -17.772 -1.472 11.462 1.00 3.59 C ATOM 1598 O LYS A 104 -18.365 -0.779 12.291 1.00 3.95 O ATOM 1599 CB LYS A 104 -17.408 -3.330 13.101 1.00 3.99 C ATOM 1600 CG LYS A 104 -17.813 -4.749 13.473 1.00 4.36 C ATOM 1601 CD LYS A 104 -16.757 -5.766 13.068 1.00 4.62 C ATOM 1602 CE LYS A 104 -17.178 -7.181 13.426 1.00 5.31 C ATOM 1603 NZ LYS A 104 -16.133 -8.180 13.073 1.00 5.72 N ATOM 0 H LYS A 104 -15.702 -2.953 10.880 1.00 3.34 H new ATOM 0 HA LYS A 104 -18.586 -3.455 11.325 1.00 3.66 H new ATOM 0 HB2 LYS A 104 -16.350 -3.194 13.324 1.00 3.99 H new ATOM 0 HB3 LYS A 104 -17.959 -2.629 13.728 1.00 3.99 H new ATOM 0 HG2 LYS A 104 -17.980 -4.808 14.548 1.00 4.36 H new ATOM 0 HG3 LYS A 104 -18.758 -4.995 12.989 1.00 4.36 H new ATOM 0 HD2 LYS A 104 -16.579 -5.699 11.995 1.00 4.62 H new ATOM 0 HD3 LYS A 104 -15.815 -5.530 13.563 1.00 4.62 H new ATOM 0 HE2 LYS A 104 -17.387 -7.238 14.494 1.00 5.31 H new ATOM 0 HE3 LYS A 104 -18.104 -7.426 12.906 1.00 5.31 H new ATOM 0 HZ1 LYS A 104 -16.461 -9.132 13.334 1.00 5.72 H new ATOM 0 HZ2 LYS A 104 -15.951 -8.145 12.050 1.00 5.72 H new ATOM 0 HZ3 LYS A 104 -15.256 -7.962 13.588 1.00 5.72 H new ATOM 1617 N ILE A 105 -17.197 -0.980 10.369 1.00 3.22 N ATOM 1618 CA ILE A 105 -17.205 0.443 10.054 1.00 3.25 C ATOM 1619 C ILE A 105 -18.624 1.003 10.056 1.00 3.33 C ATOM 1620 O ILE A 105 -18.990 1.789 10.930 1.00 3.64 O ATOM 1621 CB ILE A 105 -16.559 0.703 8.677 1.00 3.14 C ATOM 1622 CG1 ILE A 105 -15.265 -0.101 8.526 1.00 3.41 C ATOM 1623 CG2 ILE A 105 -16.286 2.185 8.481 1.00 3.22 C ATOM 1624 CD1 ILE A 105 -14.255 0.136 9.628 1.00 3.54 C ATOM 0 H ILE A 105 -16.714 -1.555 9.679 1.00 3.22 H new ATOM 0 HA ILE A 105 -16.625 0.948 10.827 1.00 3.25 H new ATOM 0 HB ILE A 105 -17.260 0.377 7.908 1.00 3.14 H new ATOM 0 HG12 ILE A 105 -15.511 -1.162 8.496 1.00 3.41 H new ATOM 0 HG13 ILE A 105 -14.806 0.147 7.569 1.00 3.41 H new ATOM 0 HG21 ILE A 105 -15.831 2.345 7.504 1.00 3.22 H new ATOM 0 HG22 ILE A 105 -17.223 2.738 8.540 1.00 3.22 H new ATOM 0 HG23 ILE A 105 -15.608 2.536 9.259 1.00 3.22 H new ATOM 0 HD11 ILE A 105 -13.368 -0.471 9.446 1.00 3.54 H new ATOM 0 HD12 ILE A 105 -13.976 1.190 9.646 1.00 3.54 H new ATOM 0 HD13 ILE A 105 -14.692 -0.140 10.588 1.00 3.54 H new ATOM 1636 N ARG A 106 -19.419 0.594 9.072 1.00 3.23 N ATOM 1637 CA ARG A 106 -20.797 1.057 8.960 1.00 3.52 C ATOM 1638 C ARG A 106 -21.688 0.368 9.990 1.00 3.99 C ATOM 1639 O ARG A 106 -22.353 1.026 10.789 1.00 4.49 O ATOM 1640 CB ARG A 106 -21.327 0.800 7.548 1.00 3.66 C ATOM 1641 CG ARG A 106 -22.747 1.297 7.328 1.00 4.02 C ATOM 1642 CD ARG A 106 -22.835 2.811 7.436 1.00 4.54 C ATOM 1643 NE ARG A 106 -24.183 3.301 7.159 1.00 4.89 N ATOM 1644 CZ ARG A 106 -24.558 4.566 7.330 1.00 5.64 C ATOM 1645 NH1 ARG A 106 -23.691 5.464 7.779 1.00 6.13 N ATOM 1646 NH2 ARG A 106 -25.802 4.931 7.052 1.00 6.18 N ATOM 0 H ARG A 106 -19.132 -0.057 8.341 1.00 3.23 H new ATOM 0 HA ARG A 106 -20.814 2.129 9.156 1.00 3.52 H new ATOM 0 HB2 ARG A 106 -20.667 1.284 6.828 1.00 3.66 H new ATOM 0 HB3 ARG A 106 -21.291 -0.270 7.345 1.00 3.66 H new ATOM 0 HG2 ARG A 106 -23.095 0.981 6.344 1.00 4.02 H new ATOM 0 HG3 ARG A 106 -23.410 0.840 8.062 1.00 4.02 H new ATOM 0 HD2 ARG A 106 -22.535 3.121 8.437 1.00 4.54 H new ATOM 0 HD3 ARG A 106 -22.133 3.266 6.737 1.00 4.54 H new ATOM 0 HE ARG A 106 -24.876 2.636 6.815 1.00 4.89 H new ATOM 0 HH11 ARG A 106 -22.734 5.185 7.994 1.00 6.13 H new ATOM 0 HH12 ARG A 106 -23.982 6.433 7.909 1.00 6.13 H new ATOM 0 HH21 ARG A 106 -26.471 4.242 6.707 1.00 6.18 H new ATOM 0 HH22 ARG A 106 -26.090 5.901 7.183 1.00 6.18 H new ATOM 1660 N GLU A 107 -21.697 -0.962 9.962 1.00 4.18 N ATOM 1661 CA GLU A 107 -22.508 -1.743 10.889 1.00 5.05 C ATOM 1662 C GLU A 107 -21.630 -2.484 11.893 1.00 5.51 C ATOM 1663 O GLU A 107 -20.919 -3.423 11.535 1.00 5.80 O ATOM 1664 CB GLU A 107 -23.374 -2.743 10.121 1.00 5.50 C ATOM 1665 CG GLU A 107 -24.364 -2.087 9.173 1.00 6.10 C ATOM 1666 CD GLU A 107 -25.457 -1.333 9.904 1.00 6.86 C ATOM 1667 OE1 GLU A 107 -25.196 -0.197 10.352 1.00 7.31 O ATOM 1668 OE2 GLU A 107 -26.575 -1.876 10.025 1.00 7.22 O ATOM 0 H GLU A 107 -21.151 -1.521 9.306 1.00 4.18 H new ATOM 0 HA GLU A 107 -23.152 -1.055 11.436 1.00 5.05 H new ATOM 0 HB2 GLU A 107 -22.726 -3.410 9.552 1.00 5.50 H new ATOM 0 HB3 GLU A 107 -23.921 -3.360 10.834 1.00 5.50 H new ATOM 0 HG2 GLU A 107 -23.831 -1.400 8.515 1.00 6.10 H new ATOM 0 HG3 GLU A 107 -24.815 -2.850 8.539 1.00 6.10 H new ATOM 1675 N SER A 108 -21.683 -2.056 13.151 1.00 5.97 N ATOM 1676 CA SER A 108 -20.893 -2.682 14.204 1.00 6.78 C ATOM 1677 C SER A 108 -21.722 -3.709 14.969 1.00 7.58 C ATOM 1678 O SER A 108 -21.672 -4.901 14.601 1.00 8.07 O ATOM 1679 CB SER A 108 -20.352 -1.621 15.166 1.00 7.25 C ATOM 1680 OG SER A 108 -21.405 -0.863 15.734 1.00 7.76 O ATOM 0 H SER A 108 -22.264 -1.279 13.465 1.00 5.97 H new ATOM 0 HA SER A 108 -20.054 -3.197 13.737 1.00 6.78 H new ATOM 0 HB2 SER A 108 -19.778 -2.102 15.958 1.00 7.25 H new ATOM 0 HB3 SER A 108 -19.669 -0.959 14.635 1.00 7.25 H new ATOM 0 HG SER A 108 -21.033 -0.194 16.346 1.00 7.76 H new TER 1686 SER A 108