USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 82 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 17 MET CE :methyl -126:sc= 0 (180deg=-0.432) USER MOD Set 1.2: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 19 GLN : amide:sc= -0.18 K(o=-0.11,f=-4.5!) USER MOD Set 2.2: A 30 GLN :FLIP amide:sc= -0.0213 F(o=-5.3!,f=-0.11) USER MOD Set 2.3: A 34 GLN : amide:sc= 0.0874 K(o=-0.11,f=-3.9!) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0505 USER MOD Single : A 9 LYS NZ :NH3+ -154:sc= -0.0775 (180deg=-0.703) USER MOD Single : A 10 LYS NZ :NH3+ 165:sc=-0.00957 (180deg=-0.237) USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= 0.777 (180deg=-0.687!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0911 USER MOD Single : A 24 THR OG1 : rot 87:sc= 0.719 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.912! C(o=-0.91!,f=-11!) USER MOD Single : A 32 SER OG : rot 180:sc= -1.1 USER MOD Single : A 41 THR OG1 : rot -80:sc= -2.62! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0802 X(o=-0.08,f=0) USER MOD Single : A 56 CYS SG : rot 180:sc= -2.41! USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 4 4.571 5.951 1.138 1.00 0.00 N ATOM 29 CA LEU A 4 4.307 4.513 0.919 1.00 0.00 C ATOM 30 C LEU A 4 3.181 3.897 1.750 1.00 0.00 C ATOM 31 O LEU A 4 2.161 3.443 1.242 1.00 0.00 O ATOM 32 CB LEU A 4 5.600 3.729 1.175 1.00 0.00 C ATOM 33 CG LEU A 4 6.479 3.768 -0.058 1.00 0.00 C ATOM 34 CD1 LEU A 4 7.621 4.779 0.064 1.00 0.00 C ATOM 35 CD2 LEU A 4 7.032 2.365 -0.281 1.00 0.00 C ATOM 0 HA LEU A 4 3.964 4.443 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.132 4.156 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.365 2.696 1.432 1.00 0.00 H new ATOM 0 HG LEU A 4 5.878 4.092 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.219 4.765 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.209 5.777 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.250 4.516 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.670 2.362 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.614 2.061 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.207 1.668 -0.427 1.00 0.00 H new ATOM 37 N SER A 5 3.338 4.105 3.051 1.00 0.00 N ATOM 38 CA SER A 5 2.506 3.509 4.097 1.00 0.00 C ATOM 39 C SER A 5 1.146 4.204 4.239 1.00 0.00 C ATOM 40 O SER A 5 0.108 3.597 3.978 1.00 0.00 O ATOM 41 CB SER A 5 3.316 3.612 5.394 1.00 0.00 C ATOM 42 OG SER A 5 3.822 4.942 5.568 1.00 0.00 O ATOM 0 H SER A 5 4.069 4.711 3.422 1.00 0.00 H new ATOM 0 HA SER A 5 2.271 2.474 3.847 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.689 3.342 6.243 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.143 2.903 5.370 1.00 0.00 H new ATOM 0 HG SER A 5 4.335 4.990 6.402 1.00 0.00 H new ATOM 45 N GLU A 6 1.243 5.528 4.319 1.00 0.00 N ATOM 46 CA GLU A 6 0.126 6.464 4.478 1.00 0.00 C ATOM 47 C GLU A 6 -0.869 6.357 3.311 1.00 0.00 C ATOM 48 O GLU A 6 -1.999 5.904 3.499 1.00 0.00 O ATOM 49 CB GLU A 6 0.729 7.859 4.539 1.00 0.00 C ATOM 50 CG GLU A 6 0.337 8.559 5.848 1.00 0.00 C ATOM 51 CD GLU A 6 1.189 9.804 6.113 1.00 0.00 C ATOM 52 OE1 GLU A 6 2.432 9.655 6.119 1.00 0.00 O ATOM 53 OE2 GLU A 6 0.578 10.860 6.365 1.00 0.00 O ATOM 0 H GLU A 6 2.144 6.004 4.273 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.434 6.235 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.815 7.796 4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.385 8.447 3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.715 8.842 5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.447 7.862 6.679 1.00 0.00 H new ATOM 55 N ARG A 7 -0.312 6.519 2.124 1.00 0.00 N ATOM 56 CA ARG A 7 -1.037 6.440 0.849 1.00 0.00 C ATOM 57 C ARG A 7 -1.760 5.097 0.646 1.00 0.00 C ATOM 58 O ARG A 7 -2.990 5.065 0.591 1.00 0.00 O ATOM 59 CB ARG A 7 -0.013 6.628 -0.273 1.00 0.00 C ATOM 60 CG ARG A 7 0.334 8.088 -0.560 1.00 0.00 C ATOM 61 CD ARG A 7 -0.790 8.750 -1.336 1.00 0.00 C ATOM 62 NE ARG A 7 -0.375 10.113 -1.661 1.00 0.00 N ATOM 63 CZ ARG A 7 -1.050 11.230 -1.394 1.00 0.00 C ATOM 64 NH1 ARG A 7 -2.345 11.228 -1.128 1.00 0.00 N ATOM 65 NH2 ARG A 7 -0.464 12.402 -1.606 1.00 0.00 N ATOM 0 H ARG A 7 0.682 6.715 2.007 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.806 7.213 0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.900 6.093 -0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.400 6.171 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.502 8.620 0.376 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.262 8.144 -1.130 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.005 8.190 -2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.706 8.762 -0.745 1.00 0.00 H new ATOM 0 HE ARG A 7 0.520 10.220 -2.139 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.863 10.349 -1.122 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.826 12.105 -0.928 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.489 12.438 -1.968 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.967 13.267 -1.407 1.00 0.00 H new ATOM 68 N LEU A 8 -0.981 4.019 0.659 1.00 0.00 N ATOM 69 CA LEU A 8 -1.505 2.659 0.423 1.00 0.00 C ATOM 70 C LEU A 8 -2.578 2.260 1.459 1.00 0.00 C ATOM 71 O LEU A 8 -3.688 1.897 1.073 1.00 0.00 O ATOM 72 CB LEU A 8 -0.334 1.679 0.382 1.00 0.00 C ATOM 73 CG LEU A 8 -0.770 0.268 -0.057 1.00 0.00 C ATOM 74 CD1 LEU A 8 -1.190 0.249 -1.528 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.380 -0.705 0.139 1.00 0.00 C ATOM 0 H LEU A 8 0.024 4.052 0.831 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.016 2.634 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.426 2.052 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.126 1.625 1.368 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.624 -0.025 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.492 -0.760 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.026 0.932 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.351 0.562 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.070 -1.703 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.232 -0.387 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.664 -0.725 1.191 1.00 0.00 H new ATOM 77 N LYS A 9 -2.292 2.524 2.737 1.00 0.00 N ATOM 78 CA LYS A 9 -3.244 2.258 3.837 1.00 0.00 C ATOM 79 C LYS A 9 -4.575 3.021 3.661 1.00 0.00 C ATOM 80 O LYS A 9 -5.621 2.391 3.583 1.00 0.00 O ATOM 81 CB LYS A 9 -2.585 2.572 5.174 1.00 0.00 C ATOM 82 CG LYS A 9 -3.305 1.861 6.310 1.00 0.00 C ATOM 83 CD LYS A 9 -2.580 2.054 7.644 1.00 0.00 C ATOM 84 CE LYS A 9 -3.443 1.561 8.811 1.00 0.00 C ATOM 85 NZ LYS A 9 -4.605 2.447 8.936 1.00 0.00 N ATOM 0 H LYS A 9 -1.405 2.924 3.044 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.502 1.199 3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.540 2.264 5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.597 3.648 5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.324 2.241 6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.378 0.797 6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.635 1.511 7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.341 3.108 7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.766 0.535 8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.866 1.560 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.949 2.432 9.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.331 3.417 8.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.360 2.121 8.299 1.00 0.00 H new ATOM 90 N LYS A 10 -4.497 4.336 3.465 1.00 0.00 N ATOM 91 CA LYS A 10 -5.699 5.186 3.276 1.00 0.00 C ATOM 92 C LYS A 10 -6.625 4.735 2.138 1.00 0.00 C ATOM 93 O LYS A 10 -7.839 4.729 2.279 1.00 0.00 O ATOM 94 CB LYS A 10 -5.350 6.666 3.059 1.00 0.00 C ATOM 95 CG LYS A 10 -5.403 7.457 4.369 1.00 0.00 C ATOM 96 CD LYS A 10 -4.164 7.209 5.240 1.00 0.00 C ATOM 97 CE LYS A 10 -4.244 7.923 6.581 1.00 0.00 C ATOM 98 NZ LYS A 10 -5.291 7.295 7.401 1.00 0.00 N ATOM 0 H LYS A 10 -3.616 4.849 3.431 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.238 5.065 4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.353 6.745 2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.045 7.103 2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.483 8.521 4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.299 7.179 4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.050 6.138 5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.275 7.544 4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.283 7.869 7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.467 8.979 6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.185 7.597 8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.227 7.583 7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.203 6.260 7.344 1.00 0.00 H new ATOM 103 N ARG A 11 -5.994 4.268 1.054 1.00 0.00 N ATOM 104 CA ARG A 11 -6.728 3.728 -0.108 1.00 0.00 C ATOM 105 C ARG A 11 -7.412 2.383 0.139 1.00 0.00 C ATOM 106 O ARG A 11 -8.585 2.219 -0.208 1.00 0.00 O ATOM 107 CB ARG A 11 -5.744 3.647 -1.274 1.00 0.00 C ATOM 108 CG ARG A 11 -6.435 3.392 -2.620 1.00 0.00 C ATOM 109 CD ARG A 11 -7.359 4.527 -3.035 1.00 0.00 C ATOM 110 NE ARG A 11 -7.694 4.353 -4.458 1.00 0.00 N ATOM 111 CZ ARG A 11 -7.479 5.241 -5.419 1.00 0.00 C ATOM 112 NH1 ARG A 11 -6.724 6.317 -5.223 1.00 0.00 N ATOM 113 NH2 ARG A 11 -7.851 4.976 -6.659 1.00 0.00 N ATOM 0 H ARG A 11 -4.979 4.251 0.953 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.555 4.403 -0.329 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.179 4.577 -1.332 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.026 2.849 -1.083 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.677 3.247 -3.390 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.009 2.467 -2.559 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.264 4.521 -2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.874 5.490 -2.874 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.130 3.471 -4.729 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.291 6.478 -4.313 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.577 6.982 -5.982 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.304 4.088 -6.877 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.686 5.659 -7.398 1.00 0.00 H new ATOM 116 N ARG A 12 -6.689 1.460 0.788 1.00 0.00 N ATOM 117 CA ARG A 12 -7.261 0.188 1.293 1.00 0.00 C ATOM 118 C ARG A 12 -8.573 0.425 2.062 1.00 0.00 C ATOM 119 O ARG A 12 -9.584 -0.194 1.742 1.00 0.00 O ATOM 120 CB ARG A 12 -6.285 -0.492 2.245 1.00 0.00 C ATOM 121 CG ARG A 12 -5.176 -1.260 1.519 1.00 0.00 C ATOM 122 CD ARG A 12 -4.096 -1.730 2.499 1.00 0.00 C ATOM 123 NE ARG A 12 -4.688 -2.690 3.457 1.00 0.00 N ATOM 124 CZ ARG A 12 -4.667 -2.611 4.791 1.00 0.00 C ATOM 125 NH1 ARG A 12 -4.094 -1.602 5.424 1.00 0.00 N ATOM 126 NH2 ARG A 12 -5.529 -3.327 5.483 1.00 0.00 N ATOM 0 H ARG A 12 -5.693 1.566 0.981 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.454 -0.439 0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.834 0.260 2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.834 -1.179 2.889 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.603 -2.120 1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.727 -0.623 0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.276 -2.200 1.956 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.678 -0.877 3.033 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.163 -3.499 3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.650 -0.853 4.893 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.096 -1.572 6.444 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.197 -3.928 5.000 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.529 -3.280 6.502 1.00 0.00 H new ATOM 129 N ILE A 13 -8.548 1.428 2.930 1.00 0.00 N ATOM 130 CA ILE A 13 -9.728 1.854 3.718 1.00 0.00 C ATOM 131 C ILE A 13 -10.876 2.300 2.799 1.00 0.00 C ATOM 132 O ILE A 13 -11.954 1.715 2.844 1.00 0.00 O ATOM 133 CB ILE A 13 -9.342 2.965 4.717 1.00 0.00 C ATOM 134 CG1 ILE A 13 -8.175 2.557 5.615 1.00 0.00 C ATOM 135 CG2 ILE A 13 -10.566 3.298 5.595 1.00 0.00 C ATOM 136 CD1 ILE A 13 -7.466 3.745 6.297 1.00 0.00 C ATOM 0 H ILE A 13 -7.711 1.980 3.118 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.083 0.997 4.290 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.026 3.835 4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.541 1.876 6.383 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.447 2.005 5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.302 4.083 6.304 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.385 3.641 4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.877 2.406 6.139 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.650 3.374 6.917 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.068 4.416 5.536 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.179 4.285 6.920 1.00 0.00 H new ATOM 138 N ALA A 14 -10.615 3.285 1.929 1.00 0.00 N ATOM 139 CA ALA A 14 -11.614 3.822 0.975 1.00 0.00 C ATOM 140 C ALA A 14 -12.280 2.774 0.073 1.00 0.00 C ATOM 141 O ALA A 14 -13.463 2.902 -0.251 1.00 0.00 O ATOM 142 CB ALA A 14 -10.955 4.912 0.128 1.00 0.00 C ATOM 0 H ALA A 14 -9.704 3.738 1.861 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.427 4.225 1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.682 5.314 -0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.599 5.712 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.114 4.488 -0.420 1.00 0.00 H new ATOM 144 N LEU A 15 -11.511 1.765 -0.335 1.00 0.00 N ATOM 145 CA LEU A 15 -12.000 0.629 -1.154 1.00 0.00 C ATOM 146 C LEU A 15 -12.377 -0.649 -0.372 1.00 0.00 C ATOM 147 O LEU A 15 -12.664 -1.689 -0.965 1.00 0.00 O ATOM 148 CB LEU A 15 -10.969 0.349 -2.252 1.00 0.00 C ATOM 149 CG LEU A 15 -11.197 1.308 -3.427 1.00 0.00 C ATOM 150 CD1 LEU A 15 -9.900 1.558 -4.192 1.00 0.00 C ATOM 151 CD2 LEU A 15 -12.296 0.784 -4.353 1.00 0.00 C ATOM 0 H LEU A 15 -10.518 1.702 -0.110 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.954 0.936 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.960 0.473 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.054 -0.684 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.530 2.264 -3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.092 2.241 -5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.161 1.998 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.520 0.614 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.439 1.481 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.006 -0.190 -4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.227 0.687 -3.794 1.00 0.00 H new ATOM 153 N LYS A 16 -12.402 -0.530 0.958 1.00 0.00 N ATOM 154 CA LYS A 16 -12.832 -1.586 1.914 1.00 0.00 C ATOM 155 C LYS A 16 -12.030 -2.896 1.816 1.00 0.00 C ATOM 156 O LYS A 16 -12.475 -3.975 2.226 1.00 0.00 O ATOM 157 CB LYS A 16 -14.335 -1.862 1.821 1.00 0.00 C ATOM 158 CG LYS A 16 -15.198 -0.797 2.509 1.00 0.00 C ATOM 159 CD LYS A 16 -15.364 0.487 1.678 1.00 0.00 C ATOM 160 CE LYS A 16 -15.785 1.666 2.567 1.00 0.00 C ATOM 161 NZ LYS A 16 -14.706 1.883 3.541 1.00 0.00 N ATOM 0 H LYS A 16 -12.116 0.329 1.428 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.612 -1.173 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.620 -1.926 0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -14.546 -2.833 2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -16.183 -1.216 2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.751 -0.543 3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.426 0.723 1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -16.111 0.328 0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -15.947 2.561 1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -16.724 1.448 3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.746 2.862 3.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.821 1.226 4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.787 1.716 3.084 1.00 0.00 H new ATOM 166 N MET A 17 -10.744 -2.723 1.565 1.00 0.00 N ATOM 167 CA MET A 17 -9.809 -3.821 1.294 1.00 0.00 C ATOM 168 C MET A 17 -8.835 -4.041 2.439 1.00 0.00 C ATOM 169 O MET A 17 -8.110 -3.138 2.866 1.00 0.00 O ATOM 170 CB MET A 17 -9.033 -3.493 0.027 1.00 0.00 C ATOM 171 CG MET A 17 -9.643 -4.223 -1.166 1.00 0.00 C ATOM 172 SD MET A 17 -8.649 -3.889 -2.660 1.00 0.00 S ATOM 173 CE MET A 17 -9.793 -4.401 -3.916 1.00 0.00 C ATOM 0 H MET A 17 -10.305 -1.803 1.542 1.00 0.00 H new ATOM 0 HA MET A 17 -10.385 -4.739 1.176 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.047 -2.417 -0.149 1.00 0.00 H new ATOM 0 HB3 MET A 17 -7.989 -3.783 0.145 1.00 0.00 H new ATOM 0 HG2 MET A 17 -9.677 -5.295 -0.971 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.671 -3.895 -1.320 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.315 -5.134 -4.566 1.00 0.00 H new ATOM 0 HE2 MET A 17 -10.670 -4.848 -3.449 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.097 -3.536 -4.506 1.00 0.00 H new ATOM 175 N THR A 18 -8.810 -5.281 2.905 1.00 0.00 N ATOM 176 CA THR A 18 -7.795 -5.688 3.890 1.00 0.00 C ATOM 177 C THR A 18 -6.558 -6.158 3.125 1.00 0.00 C ATOM 178 O THR A 18 -6.631 -6.645 1.998 1.00 0.00 O ATOM 179 CB THR A 18 -8.260 -6.823 4.812 1.00 0.00 C ATOM 180 OG1 THR A 18 -8.534 -7.999 4.045 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.449 -6.404 5.672 1.00 0.00 C ATOM 0 H THR A 18 -9.462 -6.016 2.630 1.00 0.00 H new ATOM 0 HA THR A 18 -7.590 -4.827 4.526 1.00 0.00 H new ATOM 0 HB THR A 18 -7.452 -7.055 5.506 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.828 -8.718 4.642 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.747 -7.236 6.310 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.167 -5.553 6.293 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.283 -6.123 5.028 1.00 0.00 H new ATOM 184 N GLN A 19 -5.414 -6.002 3.778 1.00 0.00 N ATOM 185 CA GLN A 19 -4.136 -6.492 3.235 1.00 0.00 C ATOM 186 C GLN A 19 -4.134 -7.971 2.842 1.00 0.00 C ATOM 187 O GLN A 19 -3.467 -8.345 1.881 1.00 0.00 O ATOM 188 CB GLN A 19 -3.059 -6.305 4.263 1.00 0.00 C ATOM 189 CG GLN A 19 -2.209 -5.108 3.847 1.00 0.00 C ATOM 190 CD GLN A 19 -1.065 -4.985 4.838 1.00 0.00 C ATOM 191 OE1 GLN A 19 -0.275 -5.902 5.040 1.00 0.00 O ATOM 192 NE2 GLN A 19 -0.964 -3.843 5.459 1.00 0.00 N ATOM 0 H GLN A 19 -5.336 -5.541 4.685 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.966 -5.912 2.328 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.497 -6.137 5.247 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.444 -7.202 4.337 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.826 -5.245 2.836 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.808 -4.198 3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.636 -3.099 5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.213 -3.694 6.133 1.00 0.00 H new ATOM 194 N THR A 20 -4.804 -8.789 3.642 1.00 0.00 N ATOM 195 CA THR A 20 -5.024 -10.221 3.358 1.00 0.00 C ATOM 196 C THR A 20 -5.739 -10.441 2.014 1.00 0.00 C ATOM 197 O THR A 20 -5.201 -11.084 1.134 1.00 0.00 O ATOM 198 CB THR A 20 -5.896 -10.805 4.484 1.00 0.00 C ATOM 199 OG1 THR A 20 -5.536 -10.211 5.738 1.00 0.00 O ATOM 200 CG2 THR A 20 -5.746 -12.327 4.551 1.00 0.00 C ATOM 0 H THR A 20 -5.220 -8.483 4.522 1.00 0.00 H new ATOM 0 HA THR A 20 -4.053 -10.713 3.303 1.00 0.00 H new ATOM 0 HB THR A 20 -6.940 -10.576 4.271 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.096 -10.586 6.450 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.371 -12.719 5.354 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.056 -12.765 3.602 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.704 -12.582 4.745 1.00 0.00 H new ATOM 203 N GLU A 21 -6.827 -9.701 1.842 1.00 0.00 N ATOM 204 CA GLU A 21 -7.653 -9.680 0.619 1.00 0.00 C ATOM 205 C GLU A 21 -6.783 -9.291 -0.593 1.00 0.00 C ATOM 206 O GLU A 21 -6.754 -9.954 -1.628 1.00 0.00 O ATOM 207 CB GLU A 21 -8.763 -8.647 0.798 1.00 0.00 C ATOM 208 CG GLU A 21 -9.986 -8.856 -0.098 1.00 0.00 C ATOM 209 CD GLU A 21 -9.699 -8.740 -1.594 1.00 0.00 C ATOM 210 OE1 GLU A 21 -9.137 -7.690 -1.992 1.00 0.00 O ATOM 211 OE2 GLU A 21 -10.028 -9.711 -2.299 1.00 0.00 O ATOM 0 H GLU A 21 -7.179 -9.075 2.567 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.081 -10.667 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.087 -8.659 1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.353 -7.656 0.603 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.405 -9.842 0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.748 -8.125 0.171 1.00 0.00 H new ATOM 213 N LEU A 22 -6.043 -8.207 -0.372 1.00 0.00 N ATOM 214 CA LEU A 22 -5.116 -7.584 -1.332 1.00 0.00 C ATOM 215 C LEU A 22 -3.968 -8.525 -1.727 1.00 0.00 C ATOM 216 O LEU A 22 -3.687 -8.690 -2.914 1.00 0.00 O ATOM 217 CB LEU A 22 -4.655 -6.337 -0.568 1.00 0.00 C ATOM 218 CG LEU A 22 -3.547 -5.537 -1.242 1.00 0.00 C ATOM 219 CD1 LEU A 22 -4.023 -4.969 -2.589 1.00 0.00 C ATOM 220 CD2 LEU A 22 -3.114 -4.405 -0.314 1.00 0.00 C ATOM 0 H LEU A 22 -6.070 -7.712 0.519 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.567 -7.344 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.514 -5.683 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.311 -6.642 0.420 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.701 -6.196 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.215 -4.402 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.314 -5.788 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.879 -4.314 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.321 -3.828 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.965 -3.755 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.746 -4.823 0.623 1.00 0.00 H new ATOM 222 N ALA A 23 -3.393 -9.190 -0.727 1.00 0.00 N ATOM 223 CA ALA A 23 -2.380 -10.250 -0.866 1.00 0.00 C ATOM 224 C ALA A 23 -2.822 -11.355 -1.848 1.00 0.00 C ATOM 225 O ALA A 23 -2.204 -11.524 -2.895 1.00 0.00 O ATOM 226 CB ALA A 23 -2.079 -10.838 0.511 1.00 0.00 C ATOM 0 H ALA A 23 -3.626 -9.001 0.248 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.476 -9.806 -1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.330 -11.624 0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.701 -10.054 1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.992 -11.257 0.935 1.00 0.00 H new ATOM 228 N THR A 24 -4.017 -11.872 -1.580 1.00 0.00 N ATOM 229 CA THR A 24 -4.706 -12.898 -2.379 1.00 0.00 C ATOM 230 C THR A 24 -4.928 -12.433 -3.833 1.00 0.00 C ATOM 231 O THR A 24 -4.533 -13.120 -4.769 1.00 0.00 O ATOM 232 CB THR A 24 -6.032 -13.182 -1.643 1.00 0.00 C ATOM 233 OG1 THR A 24 -5.754 -13.526 -0.280 1.00 0.00 O ATOM 234 CG2 THR A 24 -6.828 -14.308 -2.307 1.00 0.00 C ATOM 0 H THR A 24 -4.560 -11.580 -0.768 1.00 0.00 H new ATOM 0 HA THR A 24 -4.109 -13.806 -2.465 1.00 0.00 H new ATOM 0 HB THR A 24 -6.640 -12.279 -1.689 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.701 -12.709 0.259 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.753 -14.474 -1.755 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.063 -14.031 -3.335 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.236 -15.223 -2.304 1.00 0.00 H new ATOM 237 N LYS A 25 -5.490 -11.237 -3.983 1.00 0.00 N ATOM 238 CA LYS A 25 -5.816 -10.645 -5.303 1.00 0.00 C ATOM 239 C LYS A 25 -4.580 -10.275 -6.151 1.00 0.00 C ATOM 240 O LYS A 25 -4.559 -10.544 -7.350 1.00 0.00 O ATOM 241 CB LYS A 25 -6.717 -9.431 -5.039 1.00 0.00 C ATOM 242 CG LYS A 25 -7.612 -9.161 -6.238 1.00 0.00 C ATOM 243 CD LYS A 25 -8.637 -8.086 -5.903 1.00 0.00 C ATOM 244 CE LYS A 25 -9.529 -7.822 -7.115 1.00 0.00 C ATOM 245 NZ LYS A 25 -10.472 -6.768 -6.763 1.00 0.00 N ATOM 0 H LYS A 25 -5.738 -10.638 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.328 -11.392 -5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.328 -9.610 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.104 -8.554 -4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.007 -8.844 -7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.121 -10.078 -6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.245 -8.402 -5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.130 -7.168 -5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.927 -7.523 -7.973 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.061 -8.729 -7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.091 -6.571 -7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.049 -7.074 -5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.950 -5.905 -6.509 1.00 0.00 H new ATOM 250 N ALA A 26 -3.581 -9.684 -5.511 1.00 0.00 N ATOM 251 CA ALA A 26 -2.294 -9.300 -6.126 1.00 0.00 C ATOM 252 C ALA A 26 -1.327 -10.454 -6.460 1.00 0.00 C ATOM 253 O ALA A 26 -0.317 -10.239 -7.139 1.00 0.00 O ATOM 254 CB ALA A 26 -1.586 -8.312 -5.204 1.00 0.00 C ATOM 0 H ALA A 26 -3.633 -9.447 -4.520 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.558 -8.867 -7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.634 -8.020 -5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.210 -7.428 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.408 -8.781 -4.236 1.00 0.00 H new ATOM 256 N GLY A 27 -1.607 -11.652 -5.924 1.00 0.00 N ATOM 257 CA GLY A 27 -0.724 -12.830 -6.027 1.00 0.00 C ATOM 258 C GLY A 27 0.553 -12.708 -5.174 1.00 0.00 C ATOM 259 O GLY A 27 1.629 -13.181 -5.568 1.00 0.00 O ATOM 0 H GLY A 27 -2.463 -11.835 -5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.276 -13.718 -5.718 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.444 -12.976 -7.070 1.00 0.00 H new ATOM 261 N VAL A 28 0.400 -12.067 -4.020 1.00 0.00 N ATOM 262 CA VAL A 28 1.482 -11.861 -3.040 1.00 0.00 C ATOM 263 C VAL A 28 1.050 -12.275 -1.619 1.00 0.00 C ATOM 264 O VAL A 28 -0.033 -12.802 -1.396 1.00 0.00 O ATOM 265 CB VAL A 28 2.000 -10.398 -3.065 1.00 0.00 C ATOM 266 CG1 VAL A 28 2.757 -10.101 -4.361 1.00 0.00 C ATOM 267 CG2 VAL A 28 0.940 -9.335 -2.795 1.00 0.00 C ATOM 0 H VAL A 28 -0.491 -11.666 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 28 2.308 -12.510 -3.332 1.00 0.00 H new ATOM 0 HB VAL A 28 2.688 -10.332 -2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.108 -9.069 -4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.611 -10.773 -4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.093 -10.249 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.398 -8.347 -2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.157 -9.402 -3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.507 -9.496 -1.808 1.00 0.00 H new ATOM 269 N LYS A 29 1.931 -11.977 -0.665 1.00 0.00 N ATOM 270 CA LYS A 29 1.726 -12.286 0.761 1.00 0.00 C ATOM 271 C LYS A 29 1.409 -11.036 1.590 1.00 0.00 C ATOM 272 O LYS A 29 1.839 -9.923 1.288 1.00 0.00 O ATOM 273 CB LYS A 29 2.999 -13.007 1.230 1.00 0.00 C ATOM 274 CG LYS A 29 2.824 -13.742 2.555 1.00 0.00 C ATOM 275 CD LYS A 29 1.747 -14.819 2.438 1.00 0.00 C ATOM 276 CE LYS A 29 1.423 -15.466 3.773 1.00 0.00 C ATOM 277 NZ LYS A 29 0.410 -16.500 3.506 1.00 0.00 N ATOM 0 H LYS A 29 2.817 -11.510 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 29 0.853 -12.924 0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.307 -13.720 0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.804 -12.279 1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.769 -14.197 2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.552 -13.033 3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.841 -14.378 2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.079 -15.585 1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.316 -15.905 4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.045 -14.727 4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.155 -16.974 4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.436 -16.058 3.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.795 -17.199 2.840 1.00 0.00 H new ATOM 282 N GLN A 30 0.615 -11.265 2.627 1.00 0.00 N ATOM 283 CA GLN A 30 0.198 -10.224 3.586 1.00 0.00 C ATOM 284 C GLN A 30 1.388 -9.484 4.227 1.00 0.00 C ATOM 285 O GLN A 30 1.484 -8.263 4.156 1.00 0.00 O ATOM 286 CB GLN A 30 -0.704 -10.949 4.605 1.00 0.00 C ATOM 287 CG GLN A 30 -1.648 -10.021 5.370 1.00 0.00 C ATOM 288 CD GLN A 30 -1.011 -9.429 6.632 1.00 0.00 C ATOM 289 OE1 GLN A 30 -0.920 -8.116 6.677 1.00 0.00 O flip ATOM 290 NE2 GLN A 30 -0.586 -10.111 7.555 1.00 0.00 N flip ATOM 0 H GLN A 30 0.232 -12.187 2.838 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.346 -9.419 3.092 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.295 -11.701 4.082 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.074 -11.479 5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.963 -9.210 4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.546 -10.573 5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.660 -11.128 7.514 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.158 -9.663 8.365 1.00 0.00 H new ATOM 292 N GLN A 31 2.386 -10.264 4.668 1.00 0.00 N ATOM 293 CA GLN A 31 3.702 -9.801 5.144 1.00 0.00 C ATOM 294 C GLN A 31 4.438 -8.857 4.189 1.00 0.00 C ATOM 295 O GLN A 31 4.997 -7.849 4.623 1.00 0.00 O ATOM 296 CB GLN A 31 4.640 -10.987 5.371 1.00 0.00 C ATOM 297 CG GLN A 31 4.209 -11.799 6.587 1.00 0.00 C ATOM 298 CD GLN A 31 3.042 -12.761 6.367 1.00 0.00 C ATOM 299 OE1 GLN A 31 2.250 -12.775 5.436 1.00 0.00 O ATOM 300 NE2 GLN A 31 2.827 -13.508 7.406 1.00 0.00 N ATOM 0 H GLN A 31 2.296 -11.279 4.705 1.00 0.00 H new ATOM 0 HA GLN A 31 3.471 -9.258 6.060 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.646 -11.625 4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.659 -10.627 5.512 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.066 -12.373 6.939 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.939 -11.107 7.385 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.485 -13.500 8.185 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.000 -14.104 7.444 1.00 0.00 H new ATOM 302 N SER A 32 4.419 -9.214 2.911 1.00 0.00 N ATOM 303 CA SER A 32 5.026 -8.430 1.830 1.00 0.00 C ATOM 304 C SER A 32 4.453 -7.006 1.788 1.00 0.00 C ATOM 305 O SER A 32 5.197 -6.030 1.815 1.00 0.00 O ATOM 306 CB SER A 32 4.732 -9.143 0.511 1.00 0.00 C ATOM 307 OG SER A 32 4.987 -10.548 0.639 1.00 0.00 O ATOM 0 H SER A 32 3.974 -10.072 2.585 1.00 0.00 H new ATOM 0 HA SER A 32 6.100 -8.349 1.998 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.693 -8.979 0.225 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.351 -8.725 -0.283 1.00 0.00 H new ATOM 0 HG SER A 32 4.793 -10.994 -0.212 1.00 0.00 H new ATOM 310 N ILE A 33 3.122 -6.919 1.864 1.00 0.00 N ATOM 311 CA ILE A 33 2.412 -5.621 1.876 1.00 0.00 C ATOM 312 C ILE A 33 2.613 -4.857 3.210 1.00 0.00 C ATOM 313 O ILE A 33 2.738 -3.633 3.191 1.00 0.00 O ATOM 314 CB ILE A 33 0.916 -5.807 1.570 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.744 -6.656 0.312 1.00 0.00 C ATOM 316 CG2 ILE A 33 0.242 -4.439 1.359 1.00 0.00 C ATOM 317 CD1 ILE A 33 -0.591 -7.380 0.322 1.00 0.00 C ATOM 0 H ILE A 33 2.506 -7.730 1.919 1.00 0.00 H new ATOM 0 HA ILE A 33 2.851 -5.010 1.087 1.00 0.00 H new ATOM 0 HB ILE A 33 0.447 -6.311 2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.811 -6.021 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.555 -7.382 0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.816 -4.584 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.349 -3.838 2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.716 -3.925 0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.688 -7.977 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.645 -8.032 1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.400 -6.651 0.364 1.00 0.00 H new ATOM 319 N GLN A 34 2.707 -5.584 4.325 1.00 0.00 N ATOM 320 CA GLN A 34 3.070 -4.973 5.626 1.00 0.00 C ATOM 321 C GLN A 34 4.393 -4.206 5.547 1.00 0.00 C ATOM 322 O GLN A 34 4.486 -3.131 6.126 1.00 0.00 O ATOM 323 CB GLN A 34 3.260 -5.969 6.771 1.00 0.00 C ATOM 324 CG GLN A 34 2.010 -6.782 7.083 1.00 0.00 C ATOM 325 CD GLN A 34 0.999 -6.064 7.985 1.00 0.00 C ATOM 326 OE1 GLN A 34 0.615 -4.917 7.814 1.00 0.00 O ATOM 327 NE2 GLN A 34 0.467 -6.807 8.936 1.00 0.00 N ATOM 0 H GLN A 34 2.540 -6.590 4.364 1.00 0.00 H new ATOM 0 HA GLN A 34 2.217 -4.327 5.833 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.073 -6.650 6.519 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.564 -5.427 7.667 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.520 -7.047 6.146 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.308 -7.715 7.562 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.790 -7.764 9.076 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.267 -6.424 9.531 1.00 0.00 H new ATOM 329 N LEU A 35 5.359 -4.692 4.767 1.00 0.00 N ATOM 330 CA LEU A 35 6.643 -3.986 4.565 1.00 0.00 C ATOM 331 C LEU A 35 6.493 -2.562 3.991 1.00 0.00 C ATOM 332 O LEU A 35 7.276 -1.664 4.306 1.00 0.00 O ATOM 333 CB LEU A 35 7.543 -4.871 3.702 1.00 0.00 C ATOM 334 CG LEU A 35 8.558 -5.620 4.574 1.00 0.00 C ATOM 335 CD1 LEU A 35 7.928 -6.837 5.271 1.00 0.00 C ATOM 336 CD2 LEU A 35 9.712 -6.116 3.702 1.00 0.00 C ATOM 0 H LEU A 35 5.285 -5.574 4.260 1.00 0.00 H new ATOM 0 HA LEU A 35 7.102 -3.824 5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.935 -5.585 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.067 -4.260 2.968 1.00 0.00 H new ATOM 0 HG LEU A 35 8.910 -4.923 5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.681 -7.339 5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.108 -6.507 5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.547 -7.529 4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.434 -6.648 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.326 -6.788 2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.200 -5.265 3.226 1.00 0.00 H new ATOM 338 N ILE A 36 5.404 -2.358 3.241 1.00 0.00 N ATOM 339 CA ILE A 36 4.998 -1.029 2.730 1.00 0.00 C ATOM 340 C ILE A 36 4.279 -0.258 3.848 1.00 0.00 C ATOM 341 O ILE A 36 4.718 0.822 4.241 1.00 0.00 O ATOM 342 CB ILE A 36 4.081 -1.137 1.493 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.496 -2.227 0.476 1.00 0.00 C ATOM 344 CG2 ILE A 36 3.870 0.225 0.840 1.00 0.00 C ATOM 345 CD1 ILE A 36 5.978 -2.261 0.098 1.00 0.00 C ATOM 0 H ILE A 36 4.771 -3.109 2.966 1.00 0.00 H new ATOM 0 HA ILE A 36 5.898 -0.497 2.420 1.00 0.00 H new ATOM 0 HB ILE A 36 3.118 -1.481 1.871 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.223 -3.200 0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.912 -2.088 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.220 0.116 -0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.408 0.904 1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.831 0.630 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.152 -3.063 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.262 -1.308 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.577 -2.437 0.991 1.00 0.00 H new ATOM 347 N GLU A 37 3.243 -0.891 4.412 1.00 0.00 N ATOM 348 CA GLU A 37 2.401 -0.304 5.479 1.00 0.00 C ATOM 349 C GLU A 37 3.136 0.098 6.775 1.00 0.00 C ATOM 350 O GLU A 37 2.834 1.122 7.370 1.00 0.00 O ATOM 351 CB GLU A 37 1.240 -1.246 5.772 1.00 0.00 C ATOM 352 CG GLU A 37 -0.084 -0.524 5.529 1.00 0.00 C ATOM 353 CD GLU A 37 -0.359 -0.323 4.034 1.00 0.00 C ATOM 354 OE1 GLU A 37 -0.937 -1.264 3.455 1.00 0.00 O ATOM 355 OE2 GLU A 37 0.047 0.732 3.492 1.00 0.00 O ATOM 0 H GLU A 37 2.958 -1.833 4.143 1.00 0.00 H new ATOM 0 HA GLU A 37 2.044 0.648 5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.306 -2.129 5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.292 -1.593 6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.897 -1.097 5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.066 0.445 6.028 1.00 0.00 H new ATOM 357 N ALA A 38 4.099 -0.728 7.151 1.00 0.00 N ATOM 358 CA ALA A 38 5.045 -0.508 8.264 1.00 0.00 C ATOM 359 C ALA A 38 6.176 0.490 7.939 1.00 0.00 C ATOM 360 O ALA A 38 7.040 0.756 8.778 1.00 0.00 O ATOM 361 CB ALA A 38 5.615 -1.871 8.665 1.00 0.00 C ATOM 0 H ALA A 38 4.261 -1.615 6.674 1.00 0.00 H new ATOM 0 HA ALA A 38 4.500 -0.048 9.088 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.319 -1.743 9.487 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.803 -2.526 8.981 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.129 -2.315 7.813 1.00 0.00 H new ATOM 363 N GLY A 39 6.167 1.020 6.710 1.00 0.00 N ATOM 364 CA GLY A 39 7.122 2.021 6.199 1.00 0.00 C ATOM 365 C GLY A 39 8.597 1.582 6.217 1.00 0.00 C ATOM 366 O GLY A 39 9.464 2.355 6.621 1.00 0.00 O ATOM 0 H GLY A 39 5.469 0.756 6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.847 2.274 5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.022 2.931 6.790 1.00 0.00 H new ATOM 368 N VAL A 40 8.850 0.395 5.677 1.00 0.00 N ATOM 369 CA VAL A 40 10.223 -0.167 5.620 1.00 0.00 C ATOM 370 C VAL A 40 10.741 -0.226 4.163 1.00 0.00 C ATOM 371 O VAL A 40 11.879 0.157 3.867 1.00 0.00 O ATOM 372 CB VAL A 40 10.276 -1.565 6.274 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.680 -2.187 6.227 1.00 0.00 C ATOM 374 CG2 VAL A 40 9.835 -1.515 7.743 1.00 0.00 C ATOM 0 H VAL A 40 8.134 -0.207 5.270 1.00 0.00 H new ATOM 0 HA VAL A 40 10.877 0.498 6.184 1.00 0.00 H new ATOM 0 HB VAL A 40 9.591 -2.182 5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.659 -3.169 6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.997 -2.291 5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.381 -1.543 6.758 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.884 -2.516 8.172 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.495 -0.849 8.299 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.812 -1.145 7.803 1.00 0.00 H new ATOM 376 N THR A 41 9.885 -0.720 3.280 1.00 0.00 N ATOM 377 CA THR A 41 10.277 -1.057 1.900 1.00 0.00 C ATOM 378 C THR A 41 9.984 0.119 0.960 1.00 0.00 C ATOM 379 O THR A 41 8.952 0.182 0.317 1.00 0.00 O ATOM 380 CB THR A 41 9.588 -2.357 1.487 1.00 0.00 C ATOM 381 OG1 THR A 41 10.074 -3.353 2.375 1.00 0.00 O ATOM 382 CG2 THR A 41 9.837 -2.792 0.045 1.00 0.00 C ATOM 0 H THR A 41 8.903 -0.901 3.488 1.00 0.00 H new ATOM 0 HA THR A 41 11.352 -1.228 1.837 1.00 0.00 H new ATOM 0 HB THR A 41 8.510 -2.204 1.542 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.958 -3.653 2.078 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.306 -3.724 -0.151 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.478 -2.020 -0.635 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.905 -2.943 -0.110 1.00 0.00 H new ATOM 385 N LYS A 42 10.980 0.991 0.911 1.00 0.00 N ATOM 386 CA LYS A 42 10.975 2.213 0.078 1.00 0.00 C ATOM 387 C LYS A 42 10.641 2.043 -1.418 1.00 0.00 C ATOM 388 O LYS A 42 10.081 2.953 -2.022 1.00 0.00 O ATOM 389 CB LYS A 42 12.300 2.949 0.242 1.00 0.00 C ATOM 390 CG LYS A 42 13.495 2.049 -0.091 1.00 0.00 C ATOM 391 CD LYS A 42 14.763 2.856 0.069 1.00 0.00 C ATOM 392 CE LYS A 42 15.968 1.938 -0.081 1.00 0.00 C ATOM 393 NZ LYS A 42 17.109 2.834 0.077 1.00 0.00 N ATOM 0 H LYS A 42 11.836 0.879 1.454 1.00 0.00 H new ATOM 0 HA LYS A 42 10.136 2.794 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.312 3.825 -0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.391 3.310 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.512 1.182 0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.412 1.672 -1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.800 3.648 -0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.779 3.339 1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.969 1.152 0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.977 1.446 -1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.992 2.291 -0.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.079 3.568 -0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.071 3.283 1.014 1.00 0.00 H new ATOM 398 N ARG A 43 11.187 0.995 -2.041 1.00 0.00 N ATOM 399 CA ARG A 43 10.798 0.614 -3.413 1.00 0.00 C ATOM 400 C ARG A 43 10.228 -0.817 -3.467 1.00 0.00 C ATOM 401 O ARG A 43 10.967 -1.796 -3.302 1.00 0.00 O ATOM 402 CB ARG A 43 11.980 0.760 -4.382 1.00 0.00 C ATOM 403 CG ARG A 43 11.463 0.830 -5.826 1.00 0.00 C ATOM 404 CD ARG A 43 12.566 0.670 -6.869 1.00 0.00 C ATOM 405 NE ARG A 43 13.070 -0.709 -6.837 1.00 0.00 N ATOM 406 CZ ARG A 43 14.344 -1.095 -6.797 1.00 0.00 C ATOM 407 NH1 ARG A 43 15.347 -0.228 -6.669 1.00 0.00 N ATOM 408 NH2 ARG A 43 14.655 -2.381 -6.750 1.00 0.00 N ATOM 0 H ARG A 43 11.898 0.394 -1.624 1.00 0.00 H new ATOM 0 HA ARG A 43 10.009 1.298 -3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.547 1.660 -4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.660 -0.084 -4.270 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.715 0.051 -5.975 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.963 1.786 -5.980 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.181 0.905 -7.861 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.377 1.370 -6.668 1.00 0.00 H new ATOM 0 HE ARG A 43 12.369 -1.450 -6.846 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.152 0.771 -6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.310 -0.563 -6.642 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.916 -3.084 -6.744 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.633 -2.668 -6.720 1.00 0.00 H new ATOM 411 N PRO A 44 8.901 -0.933 -3.542 1.00 0.00 N ATOM 412 CA PRO A 44 8.237 -2.225 -3.828 1.00 0.00 C ATOM 413 C PRO A 44 8.284 -2.597 -5.307 1.00 0.00 C ATOM 414 O PRO A 44 7.944 -1.801 -6.178 1.00 0.00 O ATOM 415 CB PRO A 44 6.800 -2.057 -3.336 1.00 0.00 C ATOM 416 CG PRO A 44 6.556 -0.546 -3.345 1.00 0.00 C ATOM 417 CD PRO A 44 7.925 0.052 -3.031 1.00 0.00 C ATOM 0 HA PRO A 44 8.749 -3.045 -3.324 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.096 -2.575 -3.987 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.673 -2.472 -2.336 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.185 -0.208 -4.312 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.814 -0.257 -2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.052 1.021 -3.514 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.049 0.211 -1.960 1.00 0.00 H new ATOM 418 N ARG A 45 8.814 -3.783 -5.563 1.00 0.00 N ATOM 419 CA ARG A 45 8.756 -4.412 -6.906 1.00 0.00 C ATOM 420 C ARG A 45 7.325 -4.864 -7.252 1.00 0.00 C ATOM 421 O ARG A 45 6.761 -4.439 -8.259 1.00 0.00 O ATOM 422 CB ARG A 45 9.709 -5.606 -7.020 1.00 0.00 C ATOM 423 CG ARG A 45 11.180 -5.182 -6.929 1.00 0.00 C ATOM 424 CD ARG A 45 11.861 -5.693 -5.655 1.00 0.00 C ATOM 425 NE ARG A 45 11.313 -5.053 -4.436 1.00 0.00 N ATOM 426 CZ ARG A 45 10.571 -5.652 -3.505 1.00 0.00 C ATOM 427 NH1 ARG A 45 10.434 -6.965 -3.441 1.00 0.00 N ATOM 428 NH2 ARG A 45 10.116 -4.927 -2.489 1.00 0.00 N ATOM 0 H ARG A 45 9.296 -4.346 -4.863 1.00 0.00 H new ATOM 0 HA ARG A 45 9.071 -3.649 -7.618 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.489 -6.322 -6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.538 -6.117 -7.968 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.717 -5.558 -7.800 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.244 -4.094 -6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.734 -6.773 -5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.932 -5.501 -5.715 1.00 0.00 H new ATOM 0 HE ARG A 45 11.523 -4.065 -4.297 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.906 -7.561 -4.121 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.856 -7.383 -2.712 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.336 -3.933 -2.433 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.546 -5.365 -1.765 1.00 0.00 H new ATOM 431 N PHE A 46 6.686 -5.487 -6.274 1.00 0.00 N ATOM 432 CA PHE A 46 5.278 -5.915 -6.319 1.00 0.00 C ATOM 433 C PHE A 46 4.216 -4.794 -6.272 1.00 0.00 C ATOM 434 O PHE A 46 3.014 -5.091 -6.249 1.00 0.00 O ATOM 435 CB PHE A 46 4.987 -6.958 -5.223 1.00 0.00 C ATOM 436 CG PHE A 46 5.784 -6.786 -3.912 1.00 0.00 C ATOM 437 CD1 PHE A 46 5.477 -5.721 -3.029 1.00 0.00 C ATOM 438 CD2 PHE A 46 6.688 -7.804 -3.531 1.00 0.00 C ATOM 439 CE1 PHE A 46 6.058 -5.687 -1.746 1.00 0.00 C ATOM 440 CE2 PHE A 46 7.272 -7.779 -2.252 1.00 0.00 C ATOM 441 CZ PHE A 46 6.938 -6.724 -1.369 1.00 0.00 C ATOM 0 H PHE A 46 7.141 -5.721 -5.392 1.00 0.00 H new ATOM 0 HA PHE A 46 5.175 -6.352 -7.312 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.923 -6.925 -4.988 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.194 -7.950 -5.626 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.800 -4.938 -3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.930 -8.599 -4.221 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.834 -4.881 -1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.963 -8.551 -1.949 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.369 -6.712 -0.379 1.00 0.00 H new ATOM 443 N LEU A 47 4.627 -3.547 -6.498 1.00 0.00 N ATOM 444 CA LEU A 47 3.709 -2.389 -6.409 1.00 0.00 C ATOM 445 C LEU A 47 2.583 -2.408 -7.451 1.00 0.00 C ATOM 446 O LEU A 47 1.422 -2.292 -7.062 1.00 0.00 O ATOM 447 CB LEU A 47 4.467 -1.042 -6.334 1.00 0.00 C ATOM 448 CG LEU A 47 4.842 -0.330 -7.641 1.00 0.00 C ATOM 449 CD1 LEU A 47 5.444 1.037 -7.283 1.00 0.00 C ATOM 450 CD2 LEU A 47 5.813 -1.116 -8.520 1.00 0.00 C ATOM 0 H LEU A 47 5.586 -3.303 -6.744 1.00 0.00 H new ATOM 0 HA LEU A 47 3.190 -2.494 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.860 -0.354 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.387 -1.212 -5.775 1.00 0.00 H new ATOM 0 HG LEU A 47 3.932 -0.227 -8.232 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.719 1.564 -8.197 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.710 1.625 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.331 0.894 -6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.028 -0.546 -9.424 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.739 -1.291 -7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.365 -2.072 -8.792 1.00 0.00 H new ATOM 452 N PHE A 48 2.901 -2.792 -8.682 1.00 0.00 N ATOM 453 CA PHE A 48 1.927 -2.934 -9.788 1.00 0.00 C ATOM 454 C PHE A 48 0.817 -3.932 -9.443 1.00 0.00 C ATOM 455 O PHE A 48 -0.369 -3.608 -9.533 1.00 0.00 O ATOM 456 CB PHE A 48 2.677 -3.422 -11.036 1.00 0.00 C ATOM 457 CG PHE A 48 1.973 -2.993 -12.325 1.00 0.00 C ATOM 458 CD1 PHE A 48 2.116 -1.659 -12.785 1.00 0.00 C ATOM 459 CD2 PHE A 48 1.293 -3.956 -13.103 1.00 0.00 C ATOM 460 CE1 PHE A 48 1.579 -1.285 -14.032 1.00 0.00 C ATOM 461 CE2 PHE A 48 0.746 -3.585 -14.350 1.00 0.00 C ATOM 462 CZ PHE A 48 0.903 -2.260 -14.803 1.00 0.00 C ATOM 0 H PHE A 48 3.856 -3.020 -8.957 1.00 0.00 H new ATOM 0 HA PHE A 48 1.459 -1.965 -9.965 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.693 -3.027 -11.028 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.758 -4.509 -11.010 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.636 -0.931 -12.180 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.192 -4.970 -12.746 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.681 -0.272 -14.393 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.213 -4.308 -14.950 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.497 -1.981 -15.764 1.00 0.00 H new ATOM 464 N GLU A 49 1.243 -5.082 -8.907 1.00 0.00 N ATOM 465 CA GLU A 49 0.338 -6.161 -8.438 1.00 0.00 C ATOM 466 C GLU A 49 -0.644 -5.659 -7.377 1.00 0.00 C ATOM 467 O GLU A 49 -1.838 -5.565 -7.647 1.00 0.00 O ATOM 468 CB GLU A 49 1.137 -7.373 -7.911 1.00 0.00 C ATOM 469 CG GLU A 49 1.891 -8.155 -8.992 1.00 0.00 C ATOM 470 CD GLU A 49 3.364 -7.754 -9.057 1.00 0.00 C ATOM 471 OE1 GLU A 49 3.636 -6.626 -9.532 1.00 0.00 O ATOM 472 OE2 GLU A 49 4.201 -8.561 -8.580 1.00 0.00 O ATOM 0 H GLU A 49 2.231 -5.300 -8.782 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.245 -6.485 -9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.853 -7.024 -7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.452 -8.050 -7.402 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.813 -9.223 -8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.423 -7.980 -9.961 1.00 0.00 H new ATOM 474 N ILE A 50 -0.084 -5.134 -6.289 1.00 0.00 N ATOM 475 CA ILE A 50 -0.862 -4.555 -5.167 1.00 0.00 C ATOM 476 C ILE A 50 -1.832 -3.459 -5.675 1.00 0.00 C ATOM 477 O ILE A 50 -3.037 -3.583 -5.510 1.00 0.00 O ATOM 478 CB ILE A 50 0.104 -4.063 -4.071 1.00 0.00 C ATOM 479 CG1 ILE A 50 0.956 -5.244 -3.571 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.633 -3.395 -2.903 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.153 -4.839 -2.714 1.00 0.00 C ATOM 0 H ILE A 50 0.925 -5.092 -6.149 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.494 -5.321 -4.717 1.00 0.00 H new ATOM 0 HB ILE A 50 0.751 -3.303 -4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.321 -5.915 -2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.315 -5.808 -4.432 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.090 -3.066 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.193 -2.535 -3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.321 -4.109 -2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.698 -5.731 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.813 -4.193 -3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.804 -4.303 -1.832 1.00 0.00 H new ATOM 483 N ALA A 51 -1.301 -2.576 -6.516 1.00 0.00 N ATOM 484 CA ALA A 51 -2.034 -1.452 -7.109 1.00 0.00 C ATOM 485 C ALA A 51 -3.253 -1.825 -7.954 1.00 0.00 C ATOM 486 O ALA A 51 -4.372 -1.435 -7.626 1.00 0.00 O ATOM 487 CB ALA A 51 -1.063 -0.612 -7.938 1.00 0.00 C ATOM 0 H ALA A 51 -0.326 -2.620 -6.814 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.445 -0.892 -6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.597 0.227 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.267 -0.235 -7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.631 -1.228 -8.727 1.00 0.00 H new ATOM 489 N MET A 52 -3.053 -2.672 -8.958 1.00 0.00 N ATOM 490 CA MET A 52 -4.119 -3.107 -9.878 1.00 0.00 C ATOM 491 C MET A 52 -5.146 -4.043 -9.214 1.00 0.00 C ATOM 492 O MET A 52 -6.340 -3.973 -9.513 1.00 0.00 O ATOM 493 CB MET A 52 -3.480 -3.702 -11.131 1.00 0.00 C ATOM 494 CG MET A 52 -2.718 -2.638 -11.922 1.00 0.00 C ATOM 495 SD MET A 52 -3.745 -1.280 -12.592 1.00 0.00 S ATOM 496 CE MET A 52 -2.496 -0.377 -13.498 1.00 0.00 C ATOM 0 H MET A 52 -2.143 -3.084 -9.165 1.00 0.00 H new ATOM 0 HA MET A 52 -4.707 -2.237 -10.169 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.800 -4.506 -10.849 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.252 -4.144 -11.761 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.952 -2.208 -11.277 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.202 -3.124 -12.750 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.949 0.492 -13.975 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.715 -0.048 -12.812 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.061 -1.023 -14.260 1.00 0.00 H new ATOM 498 N ALA A 53 -4.690 -4.788 -8.209 1.00 0.00 N ATOM 499 CA ALA A 53 -5.560 -5.565 -7.294 1.00 0.00 C ATOM 500 C ALA A 53 -6.464 -4.633 -6.468 1.00 0.00 C ATOM 501 O ALA A 53 -7.691 -4.737 -6.505 1.00 0.00 O ATOM 502 CB ALA A 53 -4.674 -6.404 -6.366 1.00 0.00 C ATOM 0 H ALA A 53 -3.697 -4.878 -7.995 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.206 -6.217 -7.882 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.302 -6.981 -5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.064 -7.083 -6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.025 -5.745 -5.789 1.00 0.00 H new ATOM 504 N LEU A 54 -5.840 -3.616 -5.867 1.00 0.00 N ATOM 505 CA LEU A 54 -6.494 -2.618 -4.998 1.00 0.00 C ATOM 506 C LEU A 54 -7.407 -1.629 -5.747 1.00 0.00 C ATOM 507 O LEU A 54 -8.427 -1.207 -5.216 1.00 0.00 O ATOM 508 CB LEU A 54 -5.389 -1.859 -4.249 1.00 0.00 C ATOM 509 CG LEU A 54 -5.786 -1.451 -2.824 1.00 0.00 C ATOM 510 CD1 LEU A 54 -4.516 -1.218 -2.008 1.00 0.00 C ATOM 511 CD2 LEU A 54 -6.703 -0.235 -2.769 1.00 0.00 C ATOM 0 H LEU A 54 -4.838 -3.455 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.156 -3.152 -4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.496 -2.483 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.125 -0.965 -4.814 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.368 -2.267 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.784 -0.927 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.928 -2.136 -1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.928 -0.425 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.941 -0.006 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.202 0.620 -3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.623 -0.448 -3.314 1.00 0.00 H new ATOM 513 N ASN A 55 -7.070 -1.408 -7.012 1.00 0.00 N ATOM 514 CA ASN A 55 -7.543 -0.303 -7.876 1.00 0.00 C ATOM 515 C ASN A 55 -7.052 1.067 -7.391 1.00 0.00 C ATOM 516 O ASN A 55 -7.793 2.012 -7.123 1.00 0.00 O ATOM 517 CB ASN A 55 -9.056 -0.357 -8.126 1.00 0.00 C ATOM 518 CG ASN A 55 -9.381 -1.524 -9.065 1.00 0.00 C ATOM 519 OD1 ASN A 55 -9.689 -1.351 -10.239 1.00 0.00 O ATOM 520 ND2 ASN A 55 -9.295 -2.732 -8.562 1.00 0.00 N ATOM 0 H ASN A 55 -6.422 -2.024 -7.502 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.084 -0.451 -8.853 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.587 -0.478 -7.182 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.396 0.581 -8.564 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.486 -3.544 -9.149 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.038 -2.860 -7.583 1.00 0.00 H new ATOM 522 N CYS A 56 -5.734 1.078 -7.191 1.00 0.00 N ATOM 523 CA CYS A 56 -4.956 2.286 -6.868 1.00 0.00 C ATOM 524 C CYS A 56 -3.751 2.394 -7.800 1.00 0.00 C ATOM 525 O CYS A 56 -3.320 1.433 -8.438 1.00 0.00 O ATOM 526 CB CYS A 56 -4.493 2.335 -5.402 1.00 0.00 C ATOM 527 SG CYS A 56 -3.307 1.051 -4.868 1.00 0.00 S ATOM 0 H CYS A 56 -5.162 0.235 -7.249 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.622 3.137 -7.014 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.042 3.311 -5.221 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.375 2.269 -4.765 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.013 1.227 -3.614 1.00 0.00 H new ATOM 529 N ASP A 57 -3.155 3.578 -7.787 1.00 0.00 N ATOM 530 CA ASP A 57 -2.067 3.923 -8.715 1.00 0.00 C ATOM 531 C ASP A 57 -0.693 3.532 -8.124 1.00 0.00 C ATOM 532 O ASP A 57 -0.332 4.023 -7.052 1.00 0.00 O ATOM 533 CB ASP A 57 -2.229 5.415 -9.054 1.00 0.00 C ATOM 534 CG ASP A 57 -1.240 5.959 -10.077 1.00 0.00 C ATOM 535 OD1 ASP A 57 -0.025 5.723 -9.887 1.00 0.00 O ATOM 536 OD2 ASP A 57 -1.681 6.739 -10.945 1.00 0.00 O ATOM 0 H ASP A 57 -3.404 4.327 -7.141 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.118 3.357 -9.645 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.240 5.579 -9.427 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.131 5.993 -8.135 1.00 0.00 H new