USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 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 19 GLN : amide:sc= -5.46! C(o=-5.9!,f=-6!) USER MOD Set 1.2: A 30 GLN : amide:sc= 0.442 X(o=-5.9,f=-6) USER MOD Set 1.3: A 31 GLN : amide:sc= -0.907 X(o=-5.9,f=-6!) USER MOD Set 1.4: A 34 GLN : amide:sc= 0.0371 K(o=-5.9,f=-7.9!) USER MOD Set 2.1: A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 25 LYS NZ :NH3+ 165:sc=-0.00811 (180deg=-0.235) USER MOD Set 3.1: A 18 THR OG1 : rot 130:sc= 0.157 USER MOD Set 3.2: A 20 THR OG1 : rot 180:sc= 0.57 USER MOD Single : A 5 SER OG : rot 105:sc= 1.28 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 142:sc= -0.0585 (180deg=-1.2!) USER MOD Single : A 24 THR OG1 : rot 84:sc= 0.602 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -151:sc= -1.96! 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 :FLIP amide:sc= 0.609 F(o=-1.1,f=0.61) USER MOD Single : A 56 CYS SG : rot -10:sc= -1.63 USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 4 4.320 6.326 1.078 1.00 0.00 N ATOM 29 CA LEU A 4 4.052 4.893 0.847 1.00 0.00 C ATOM 30 C LEU A 4 3.134 4.221 1.878 1.00 0.00 C ATOM 31 O LEU A 4 2.004 3.871 1.568 1.00 0.00 O ATOM 32 CB LEU A 4 5.355 4.099 0.804 1.00 0.00 C ATOM 33 CG LEU A 4 6.222 4.391 -0.423 1.00 0.00 C ATOM 34 CD1 LEU A 4 7.271 5.463 -0.108 1.00 0.00 C ATOM 35 CD2 LEU A 4 6.902 3.092 -0.815 1.00 0.00 C ATOM 0 HA LEU A 4 3.529 4.877 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.931 4.317 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.121 3.035 0.826 1.00 0.00 H new ATOM 0 HG LEU A 4 5.606 4.769 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.875 5.653 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.771 6.383 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.914 5.116 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.531 3.260 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.517 2.739 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.146 2.342 -1.051 1.00 0.00 H new ATOM 37 N SER A 5 3.553 4.297 3.149 1.00 0.00 N ATOM 38 CA SER A 5 2.864 3.643 4.285 1.00 0.00 C ATOM 39 C SER A 5 1.448 4.169 4.521 1.00 0.00 C ATOM 40 O SER A 5 0.473 3.528 4.158 1.00 0.00 O ATOM 41 CB SER A 5 3.784 3.818 5.512 1.00 0.00 C ATOM 42 OG SER A 5 3.078 3.766 6.744 1.00 0.00 O ATOM 0 H SER A 5 4.386 4.817 3.426 1.00 0.00 H new ATOM 0 HA SER A 5 2.705 2.586 4.071 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.546 3.039 5.503 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.304 4.773 5.437 1.00 0.00 H new ATOM 0 HG SER A 5 3.248 2.906 7.183 1.00 0.00 H new ATOM 45 N GLU A 6 1.437 5.456 4.861 1.00 0.00 N ATOM 46 CA GLU A 6 0.255 6.279 5.156 1.00 0.00 C ATOM 47 C GLU A 6 -0.758 6.282 4.008 1.00 0.00 C ATOM 48 O GLU A 6 -1.897 5.825 4.162 1.00 0.00 O ATOM 49 CB GLU A 6 0.794 7.688 5.396 1.00 0.00 C ATOM 50 CG GLU A 6 0.773 8.089 6.875 1.00 0.00 C ATOM 51 CD GLU A 6 1.363 9.494 7.053 1.00 0.00 C ATOM 52 OE1 GLU A 6 2.526 9.679 6.634 1.00 0.00 O ATOM 53 OE2 GLU A 6 0.643 10.348 7.622 1.00 0.00 O ATOM 0 H GLU A 6 2.303 5.989 4.944 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.283 5.883 6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.816 7.749 5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.202 8.401 4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.250 8.066 7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.344 7.370 7.462 1.00 0.00 H new ATOM 55 N ARG A 7 -0.248 6.633 2.838 1.00 0.00 N ATOM 56 CA ARG A 7 -0.995 6.715 1.579 1.00 0.00 C ATOM 57 C ARG A 7 -1.634 5.390 1.117 1.00 0.00 C ATOM 58 O ARG A 7 -2.806 5.357 0.761 1.00 0.00 O ATOM 59 CB ARG A 7 -0.046 7.325 0.552 1.00 0.00 C ATOM 60 CG ARG A 7 -0.690 7.576 -0.806 1.00 0.00 C ATOM 61 CD ARG A 7 0.253 8.296 -1.775 1.00 0.00 C ATOM 62 NE ARG A 7 1.504 7.553 -1.960 1.00 0.00 N ATOM 63 CZ ARG A 7 2.735 8.051 -1.833 1.00 0.00 C ATOM 64 NH1 ARG A 7 2.986 9.358 -1.928 1.00 0.00 N ATOM 65 NH2 ARG A 7 3.767 7.230 -1.922 1.00 0.00 N ATOM 0 H ARG A 7 0.736 6.879 2.728 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.873 7.346 1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.339 8.268 0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.809 6.661 0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.997 6.625 -1.241 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.593 8.171 -0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.241 8.424 -2.738 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.474 9.294 -1.395 1.00 0.00 H new ATOM 0 HE ARG A 7 1.426 6.567 -2.208 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.223 10.012 -2.103 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.940 9.703 -1.825 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.614 6.235 -2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.716 7.592 -1.828 1.00 0.00 H new ATOM 68 N LEU A 8 -0.872 4.296 1.200 1.00 0.00 N ATOM 69 CA LEU A 8 -1.364 2.941 0.858 1.00 0.00 C ATOM 70 C LEU A 8 -2.415 2.455 1.867 1.00 0.00 C ATOM 71 O LEU A 8 -3.526 2.094 1.478 1.00 0.00 O ATOM 72 CB LEU A 8 -0.192 1.966 0.743 1.00 0.00 C ATOM 73 CG LEU A 8 -0.591 0.507 0.503 1.00 0.00 C ATOM 74 CD1 LEU A 8 -1.311 0.310 -0.833 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.658 -0.377 0.550 1.00 0.00 C ATOM 0 H LEU A 8 0.101 4.315 1.504 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.859 2.988 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.453 2.290 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.399 2.021 1.657 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.288 0.223 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.572 -0.741 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.219 0.913 -0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.656 0.617 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.375 -1.416 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.358 -0.060 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.132 -0.286 1.527 1.00 0.00 H new ATOM 77 N LYS A 9 -2.072 2.512 3.156 1.00 0.00 N ATOM 78 CA LYS A 9 -2.969 1.991 4.203 1.00 0.00 C ATOM 79 C LYS A 9 -4.359 2.647 4.275 1.00 0.00 C ATOM 80 O LYS A 9 -5.366 1.934 4.329 1.00 0.00 O ATOM 81 CB LYS A 9 -2.303 1.911 5.588 1.00 0.00 C ATOM 82 CG LYS A 9 -1.991 3.249 6.247 1.00 0.00 C ATOM 83 CD LYS A 9 -1.279 3.003 7.586 1.00 0.00 C ATOM 84 CE LYS A 9 -0.972 4.329 8.265 1.00 0.00 C ATOM 85 NZ LYS A 9 -0.134 4.077 9.440 1.00 0.00 N ATOM 0 H LYS A 9 -1.196 2.905 3.501 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.162 0.971 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.954 1.342 6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.375 1.348 5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.361 3.851 5.593 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.911 3.811 6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.906 2.391 8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.356 2.448 7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.460 4.997 7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.897 4.824 8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.082 4.978 9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.640 3.453 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.752 3.621 9.143 1.00 0.00 H new ATOM 90 N LYS A 10 -4.427 3.965 4.061 1.00 0.00 N ATOM 91 CA LYS A 10 -5.736 4.674 4.053 1.00 0.00 C ATOM 92 C LYS A 10 -6.638 4.323 2.850 1.00 0.00 C ATOM 93 O LYS A 10 -7.859 4.269 2.975 1.00 0.00 O ATOM 94 CB LYS A 10 -5.556 6.187 4.198 1.00 0.00 C ATOM 95 CG LYS A 10 -4.798 6.831 3.039 1.00 0.00 C ATOM 96 CD LYS A 10 -5.010 8.336 2.974 1.00 0.00 C ATOM 97 CE LYS A 10 -6.452 8.688 2.615 1.00 0.00 C ATOM 98 NZ LYS A 10 -6.473 10.107 2.278 1.00 0.00 N ATOM 0 H LYS A 10 -3.617 4.562 3.893 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.269 4.306 4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.537 6.654 4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.024 6.393 5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.734 6.621 3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.122 6.380 2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.755 8.781 3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.335 8.767 2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.798 8.087 1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.119 8.480 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.442 10.390 2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.152 10.663 3.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.840 10.282 1.471 1.00 0.00 H new ATOM 103 N ARG A 11 -6.008 4.013 1.715 1.00 0.00 N ATOM 104 CA ARG A 11 -6.687 3.582 0.491 1.00 0.00 C ATOM 105 C ARG A 11 -7.332 2.186 0.603 1.00 0.00 C ATOM 106 O ARG A 11 -8.507 2.006 0.287 1.00 0.00 O ATOM 107 CB ARG A 11 -5.635 3.634 -0.633 1.00 0.00 C ATOM 108 CG ARG A 11 -6.115 3.143 -2.001 1.00 0.00 C ATOM 109 CD ARG A 11 -7.131 4.073 -2.633 1.00 0.00 C ATOM 110 NE ARG A 11 -7.544 3.446 -3.900 1.00 0.00 N ATOM 111 CZ ARG A 11 -8.187 4.053 -4.896 1.00 0.00 C ATOM 112 NH1 ARG A 11 -8.874 5.166 -4.704 1.00 0.00 N ATOM 113 NH2 ARG A 11 -8.404 3.380 -6.011 1.00 0.00 N ATOM 0 H ARG A 11 -4.993 4.055 1.619 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.526 4.247 0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.287 4.662 -0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.775 3.036 -0.332 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.258 3.041 -2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.554 2.151 -1.893 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.988 4.216 -1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.698 5.057 -2.811 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.318 2.459 -4.026 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.921 5.582 -3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.357 5.609 -5.486 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.081 2.416 -6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.894 3.824 -6.787 1.00 0.00 H new ATOM 116 N ARG A 12 -6.570 1.260 1.190 1.00 0.00 N ATOM 117 CA ARG A 12 -7.057 -0.094 1.542 1.00 0.00 C ATOM 118 C ARG A 12 -8.360 -0.028 2.369 1.00 0.00 C ATOM 119 O ARG A 12 -9.360 -0.636 2.009 1.00 0.00 O ATOM 120 CB ARG A 12 -5.947 -0.784 2.330 1.00 0.00 C ATOM 121 CG ARG A 12 -6.095 -2.303 2.309 1.00 0.00 C ATOM 122 CD ARG A 12 -5.093 -2.977 3.252 1.00 0.00 C ATOM 123 NE ARG A 12 -3.693 -2.668 2.889 1.00 0.00 N ATOM 124 CZ ARG A 12 -2.822 -1.991 3.637 1.00 0.00 C ATOM 125 NH1 ARG A 12 -3.158 -1.469 4.811 1.00 0.00 N ATOM 126 NH2 ARG A 12 -1.582 -1.775 3.215 1.00 0.00 N ATOM 0 H ARG A 12 -5.594 1.420 1.439 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.293 -0.655 0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.979 -0.508 1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.961 -0.432 3.361 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.110 -2.575 2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.945 -2.670 1.294 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.282 -2.651 4.275 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.243 -4.056 3.229 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.364 -3.004 1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.108 -1.581 5.166 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.466 -0.957 5.358 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.284 -2.129 2.306 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.928 -1.255 3.800 1.00 0.00 H new ATOM 129 N ILE A 13 -8.366 0.924 3.307 1.00 0.00 N ATOM 130 CA ILE A 13 -9.536 1.238 4.160 1.00 0.00 C ATOM 131 C ILE A 13 -10.708 1.793 3.323 1.00 0.00 C ATOM 132 O ILE A 13 -11.845 1.342 3.486 1.00 0.00 O ATOM 133 CB ILE A 13 -9.124 2.212 5.283 1.00 0.00 C ATOM 134 CG1 ILE A 13 -8.020 1.606 6.161 1.00 0.00 C ATOM 135 CG2 ILE A 13 -10.338 2.582 6.162 1.00 0.00 C ATOM 136 CD1 ILE A 13 -7.316 2.599 7.092 1.00 0.00 C ATOM 0 H ILE A 13 -7.554 1.509 3.504 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.888 0.316 4.622 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.740 3.115 4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.453 0.809 6.765 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.273 1.146 5.514 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.023 3.270 6.947 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.101 3.059 5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.749 1.679 6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.554 2.077 7.671 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.847 3.384 6.499 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.046 3.042 7.770 1.00 0.00 H new ATOM 138 N ALA A 14 -10.419 2.710 2.399 1.00 0.00 N ATOM 139 CA ALA A 14 -11.407 3.377 1.531 1.00 0.00 C ATOM 140 C ALA A 14 -12.225 2.402 0.669 1.00 0.00 C ATOM 141 O ALA A 14 -13.411 2.619 0.433 1.00 0.00 O ATOM 142 CB ALA A 14 -10.708 4.403 0.649 1.00 0.00 C ATOM 0 H ALA A 14 -9.464 3.023 2.224 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.121 3.871 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.442 4.893 0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.218 5.148 1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.963 3.903 0.030 1.00 0.00 H new ATOM 144 N LEU A 15 -11.571 1.340 0.201 1.00 0.00 N ATOM 145 CA LEU A 15 -12.231 0.228 -0.505 1.00 0.00 C ATOM 146 C LEU A 15 -12.826 -0.881 0.380 1.00 0.00 C ATOM 147 O LEU A 15 -13.427 -1.814 -0.137 1.00 0.00 O ATOM 148 CB LEU A 15 -11.232 -0.371 -1.514 1.00 0.00 C ATOM 149 CG LEU A 15 -11.177 0.524 -2.748 1.00 0.00 C ATOM 150 CD1 LEU A 15 -9.728 0.839 -3.119 1.00 0.00 C ATOM 151 CD2 LEU A 15 -11.940 -0.110 -3.911 1.00 0.00 C ATOM 0 H LEU A 15 -10.563 1.220 0.298 1.00 0.00 H new ATOM 0 HA LEU A 15 -13.102 0.663 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.243 -0.451 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.538 -1.379 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.668 1.469 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.709 1.478 -4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.243 1.352 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.197 -0.089 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.888 0.545 -4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.495 -1.074 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.983 -0.254 -3.627 1.00 0.00 H new ATOM 153 N LYS A 16 -12.751 -0.693 1.707 1.00 0.00 N ATOM 154 CA LYS A 16 -13.155 -1.685 2.728 1.00 0.00 C ATOM 155 C LYS A 16 -12.406 -3.025 2.653 1.00 0.00 C ATOM 156 O LYS A 16 -12.835 -4.038 3.214 1.00 0.00 O ATOM 157 CB LYS A 16 -14.673 -1.932 2.752 1.00 0.00 C ATOM 158 CG LYS A 16 -15.445 -0.881 3.542 1.00 0.00 C ATOM 159 CD LYS A 16 -15.803 0.357 2.697 1.00 0.00 C ATOM 160 CE LYS A 16 -16.093 1.551 3.609 1.00 0.00 C ATOM 161 NZ LYS A 16 -14.825 1.900 4.251 1.00 0.00 N ATOM 0 H LYS A 16 -12.399 0.173 2.115 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.861 -1.215 3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.046 -1.953 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -14.867 -2.914 3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -16.360 -1.326 3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.851 -0.570 4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.981 0.596 2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -16.673 0.144 2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -16.482 2.392 3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -16.848 1.297 4.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.749 2.934 4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.789 1.477 5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.035 1.537 3.680 1.00 0.00 H new ATOM 166 N MET A 17 -11.168 -2.949 2.170 1.00 0.00 N ATOM 167 CA MET A 17 -10.325 -4.125 1.937 1.00 0.00 C ATOM 168 C MET A 17 -9.324 -4.351 3.070 1.00 0.00 C ATOM 169 O MET A 17 -8.860 -3.425 3.736 1.00 0.00 O ATOM 170 CB MET A 17 -9.578 -3.964 0.614 1.00 0.00 C ATOM 171 CG MET A 17 -10.212 -4.804 -0.501 1.00 0.00 C ATOM 172 SD MET A 17 -11.928 -4.312 -0.914 1.00 0.00 S ATOM 173 CE MET A 17 -12.197 -5.308 -2.362 1.00 0.00 C ATOM 0 H MET A 17 -10.717 -2.067 1.927 1.00 0.00 H new ATOM 0 HA MET A 17 -10.978 -4.997 1.898 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.577 -2.914 0.322 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.537 -4.260 0.745 1.00 0.00 H new ATOM 0 HG2 MET A 17 -9.596 -4.726 -1.397 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.207 -5.852 -0.201 1.00 0.00 H new ATOM 0 HE1 MET A 17 -13.202 -5.129 -2.745 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.465 -5.045 -3.126 1.00 0.00 H new ATOM 0 HE3 MET A 17 -12.089 -6.362 -2.104 1.00 0.00 H new ATOM 175 N THR A 18 -9.076 -5.635 3.284 1.00 0.00 N ATOM 176 CA THR A 18 -8.016 -6.107 4.193 1.00 0.00 C ATOM 177 C THR A 18 -6.755 -6.448 3.377 1.00 0.00 C ATOM 178 O THR A 18 -6.801 -6.693 2.172 1.00 0.00 O ATOM 179 CB THR A 18 -8.449 -7.381 4.936 1.00 0.00 C ATOM 180 OG1 THR A 18 -8.764 -8.400 3.983 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.599 -7.125 5.914 1.00 0.00 C ATOM 0 H THR A 18 -9.599 -6.388 2.837 1.00 0.00 H new ATOM 0 HA THR A 18 -7.818 -5.314 4.914 1.00 0.00 H new ATOM 0 HB THR A 18 -7.617 -7.723 5.552 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.289 -9.225 4.217 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.867 -8.057 6.413 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.288 -6.392 6.658 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.463 -6.744 5.369 1.00 0.00 H new ATOM 184 N GLN A 19 -5.631 -6.466 4.076 1.00 0.00 N ATOM 185 CA GLN A 19 -4.349 -6.894 3.489 1.00 0.00 C ATOM 186 C GLN A 19 -4.331 -8.329 2.946 1.00 0.00 C ATOM 187 O GLN A 19 -3.677 -8.581 1.941 1.00 0.00 O ATOM 188 CB GLN A 19 -3.269 -6.762 4.538 1.00 0.00 C ATOM 189 CG GLN A 19 -2.322 -5.606 4.194 1.00 0.00 C ATOM 190 CD GLN A 19 -1.594 -5.131 5.445 1.00 0.00 C ATOM 191 OE1 GLN A 19 -1.379 -5.851 6.416 1.00 0.00 O ATOM 192 NE2 GLN A 19 -1.323 -3.852 5.502 1.00 0.00 N ATOM 0 H GLN A 19 -5.570 -6.190 5.056 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.182 -6.245 2.629 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.722 -6.590 5.514 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.706 -7.693 4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.599 -5.929 3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.886 -4.782 3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.503 -3.256 4.694 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.932 -3.451 6.355 1.00 0.00 H new ATOM 194 N THR A 20 -5.008 -9.247 3.631 1.00 0.00 N ATOM 195 CA THR A 20 -5.194 -10.626 3.138 1.00 0.00 C ATOM 196 C THR A 20 -5.954 -10.677 1.814 1.00 0.00 C ATOM 197 O THR A 20 -5.453 -11.251 0.847 1.00 0.00 O ATOM 198 CB THR A 20 -5.956 -11.464 4.175 1.00 0.00 C ATOM 199 OG1 THR A 20 -7.140 -10.773 4.586 1.00 0.00 O ATOM 200 CG2 THR A 20 -5.091 -11.779 5.392 1.00 0.00 C ATOM 0 H THR A 20 -5.443 -9.067 4.536 1.00 0.00 H new ATOM 0 HA THR A 20 -4.197 -11.034 2.974 1.00 0.00 H new ATOM 0 HB THR A 20 -6.227 -12.409 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.622 -11.314 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.665 -12.373 6.103 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.211 -12.340 5.078 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.778 -10.849 5.866 1.00 0.00 H new ATOM 203 N GLU A 21 -6.995 -9.852 1.731 1.00 0.00 N ATOM 204 CA GLU A 21 -7.718 -9.559 0.483 1.00 0.00 C ATOM 205 C GLU A 21 -6.757 -9.032 -0.598 1.00 0.00 C ATOM 206 O GLU A 21 -6.528 -9.692 -1.607 1.00 0.00 O ATOM 207 CB GLU A 21 -8.831 -8.553 0.731 1.00 0.00 C ATOM 208 CG GLU A 21 -10.213 -9.210 0.736 1.00 0.00 C ATOM 209 CD GLU A 21 -11.285 -8.206 1.166 1.00 0.00 C ATOM 210 OE1 GLU A 21 -11.142 -7.665 2.279 1.00 0.00 O ATOM 211 OE2 GLU A 21 -12.243 -8.022 0.376 1.00 0.00 O ATOM 0 H GLU A 21 -7.371 -9.357 2.540 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.161 -10.489 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.663 -8.056 1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.800 -7.782 -0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.443 -9.593 -0.258 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.213 -10.063 1.414 1.00 0.00 H new ATOM 213 N LEU A 22 -5.991 -8.000 -0.234 1.00 0.00 N ATOM 214 CA LEU A 22 -5.038 -7.323 -1.125 1.00 0.00 C ATOM 215 C LEU A 22 -3.905 -8.250 -1.612 1.00 0.00 C ATOM 216 O LEU A 22 -3.695 -8.358 -2.820 1.00 0.00 O ATOM 217 CB LEU A 22 -4.583 -6.077 -0.364 1.00 0.00 C ATOM 218 CG LEU A 22 -3.544 -5.222 -1.080 1.00 0.00 C ATOM 219 CD1 LEU A 22 -3.976 -4.788 -2.483 1.00 0.00 C ATOM 220 CD2 LEU A 22 -3.232 -4.005 -0.215 1.00 0.00 C ATOM 0 H LEU A 22 -6.014 -7.602 0.705 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.497 -7.028 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.457 -5.459 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.174 -6.387 0.598 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.652 -5.833 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.190 -4.183 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.154 -5.670 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.892 -4.202 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.489 -3.384 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.143 -3.427 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.841 -4.334 0.748 1.00 0.00 H new ATOM 222 N ALA A 23 -3.362 -9.053 -0.704 1.00 0.00 N ATOM 223 CA ALA A 23 -2.389 -10.132 -0.990 1.00 0.00 C ATOM 224 C ALA A 23 -2.853 -11.113 -2.068 1.00 0.00 C ATOM 225 O ALA A 23 -2.202 -11.243 -3.109 1.00 0.00 O ATOM 226 CB ALA A 23 -2.074 -10.872 0.317 1.00 0.00 C ATOM 0 H ALA A 23 -3.586 -8.979 0.288 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.492 -9.663 -1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.358 -11.670 0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.649 -10.173 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.991 -11.299 0.723 1.00 0.00 H new ATOM 228 N THR A 24 -4.047 -11.676 -1.848 1.00 0.00 N ATOM 229 CA THR A 24 -4.742 -12.617 -2.743 1.00 0.00 C ATOM 230 C THR A 24 -4.939 -12.040 -4.152 1.00 0.00 C ATOM 231 O THR A 24 -4.566 -12.674 -5.141 1.00 0.00 O ATOM 232 CB THR A 24 -6.087 -12.952 -2.073 1.00 0.00 C ATOM 233 OG1 THR A 24 -5.806 -13.615 -0.841 1.00 0.00 O ATOM 234 CG2 THR A 24 -7.006 -13.846 -2.923 1.00 0.00 C ATOM 0 H THR A 24 -4.582 -11.481 -1.002 1.00 0.00 H new ATOM 0 HA THR A 24 -4.143 -13.517 -2.884 1.00 0.00 H new ATOM 0 HB THR A 24 -6.623 -12.014 -1.932 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.638 -12.949 -0.142 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.932 -14.036 -2.381 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.233 -13.345 -3.864 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.505 -14.792 -3.128 1.00 0.00 H new ATOM 237 N LYS A 25 -5.503 -10.845 -4.196 1.00 0.00 N ATOM 238 CA LYS A 25 -5.786 -10.121 -5.446 1.00 0.00 C ATOM 239 C LYS A 25 -4.514 -9.752 -6.220 1.00 0.00 C ATOM 240 O LYS A 25 -4.405 -10.003 -7.418 1.00 0.00 O ATOM 241 CB LYS A 25 -6.571 -8.859 -5.107 1.00 0.00 C ATOM 242 CG LYS A 25 -8.014 -9.174 -4.700 1.00 0.00 C ATOM 243 CD LYS A 25 -8.488 -8.243 -3.580 1.00 0.00 C ATOM 244 CE LYS A 25 -8.591 -6.773 -3.994 1.00 0.00 C ATOM 245 NZ LYS A 25 -9.707 -6.675 -4.945 1.00 0.00 N ATOM 0 H LYS A 25 -5.785 -10.335 -3.359 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.365 -10.780 -6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.073 -8.329 -4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.575 -8.192 -5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.670 -9.071 -5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.084 -10.210 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.463 -8.580 -3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.801 -8.325 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.767 -6.139 -3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.662 -6.435 -4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.979 -5.678 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.414 -7.062 -5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.519 -7.216 -4.585 1.00 0.00 H new ATOM 250 N ALA A 26 -3.547 -9.193 -5.482 1.00 0.00 N ATOM 251 CA ALA A 26 -2.237 -8.815 -6.020 1.00 0.00 C ATOM 252 C ALA A 26 -1.357 -9.986 -6.515 1.00 0.00 C ATOM 253 O ALA A 26 -0.506 -9.791 -7.370 1.00 0.00 O ATOM 254 CB ALA A 26 -1.468 -7.998 -4.972 1.00 0.00 C ATOM 0 H ALA A 26 -3.654 -8.989 -4.488 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.452 -8.225 -6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.494 -7.717 -5.373 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.032 -7.098 -4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.331 -8.598 -4.072 1.00 0.00 H new ATOM 256 N GLY A 27 -1.602 -11.194 -6.002 1.00 0.00 N ATOM 257 CA GLY A 27 -0.761 -12.380 -6.251 1.00 0.00 C ATOM 258 C GLY A 27 0.530 -12.400 -5.416 1.00 0.00 C ATOM 259 O GLY A 27 1.511 -13.055 -5.788 1.00 0.00 O ATOM 0 H GLY A 27 -2.398 -11.384 -5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.339 -13.278 -6.034 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.501 -12.416 -7.309 1.00 0.00 H new ATOM 261 N VAL A 28 0.484 -11.760 -4.248 1.00 0.00 N ATOM 262 CA VAL A 28 1.609 -11.710 -3.303 1.00 0.00 C ATOM 263 C VAL A 28 1.173 -12.146 -1.884 1.00 0.00 C ATOM 264 O VAL A 28 0.055 -12.612 -1.677 1.00 0.00 O ATOM 265 CB VAL A 28 2.296 -10.325 -3.300 1.00 0.00 C ATOM 266 CG1 VAL A 28 3.091 -10.102 -4.585 1.00 0.00 C ATOM 267 CG2 VAL A 28 1.371 -9.136 -2.998 1.00 0.00 C ATOM 0 H VAL A 28 -0.341 -11.256 -3.924 1.00 0.00 H new ATOM 0 HA VAL A 28 2.355 -12.428 -3.645 1.00 0.00 H new ATOM 0 HB VAL A 28 2.983 -10.356 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.563 -9.120 -4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.858 -10.871 -4.676 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.420 -10.156 -5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.948 -8.212 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.582 -9.089 -3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.926 -9.263 -2.011 1.00 0.00 H new ATOM 269 N LYS A 29 2.048 -11.889 -0.919 1.00 0.00 N ATOM 270 CA LYS A 29 1.835 -12.249 0.492 1.00 0.00 C ATOM 271 C LYS A 29 1.415 -11.036 1.314 1.00 0.00 C ATOM 272 O LYS A 29 1.889 -9.916 1.114 1.00 0.00 O ATOM 273 CB LYS A 29 3.124 -12.843 1.079 1.00 0.00 C ATOM 274 CG LYS A 29 3.552 -14.150 0.406 1.00 0.00 C ATOM 275 CD LYS A 29 2.582 -15.306 0.668 1.00 0.00 C ATOM 276 CE LYS A 29 3.105 -16.571 -0.016 1.00 0.00 C ATOM 277 NZ LYS A 29 2.255 -17.718 0.304 1.00 0.00 N ATOM 0 H LYS A 29 2.938 -11.420 -1.088 1.00 0.00 H new ATOM 0 HA LYS A 29 1.034 -12.988 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.928 -12.113 0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.981 -13.022 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.634 -13.989 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.544 -14.428 0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.480 -15.474 1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.591 -15.057 0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.133 -16.422 -1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.128 -16.768 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.625 -18.567 -0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.249 -17.869 1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.286 -17.534 -0.024 1.00 0.00 H new ATOM 282 N GLN A 30 0.664 -11.340 2.371 1.00 0.00 N ATOM 283 CA GLN A 30 0.110 -10.317 3.274 1.00 0.00 C ATOM 284 C GLN A 30 1.225 -9.527 3.987 1.00 0.00 C ATOM 285 O GLN A 30 1.299 -8.307 3.868 1.00 0.00 O ATOM 286 CB GLN A 30 -0.822 -11.025 4.258 1.00 0.00 C ATOM 287 CG GLN A 30 -1.744 -10.037 4.956 1.00 0.00 C ATOM 288 CD GLN A 30 -1.533 -10.010 6.470 1.00 0.00 C ATOM 289 OE1 GLN A 30 -1.511 -11.026 7.148 1.00 0.00 O ATOM 290 NE2 GLN A 30 -1.411 -8.830 7.021 1.00 0.00 N ATOM 0 H GLN A 30 0.420 -12.296 2.630 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.453 -9.576 2.707 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.417 -11.768 3.728 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.231 -11.561 5.001 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.576 -9.039 4.551 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.780 -10.298 4.741 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.431 -7.992 6.441 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.295 -8.748 8.031 1.00 0.00 H new ATOM 292 N GLN A 31 2.190 -10.290 4.520 1.00 0.00 N ATOM 293 CA GLN A 31 3.434 -9.782 5.151 1.00 0.00 C ATOM 294 C GLN A 31 4.224 -8.794 4.288 1.00 0.00 C ATOM 295 O GLN A 31 4.616 -7.731 4.766 1.00 0.00 O ATOM 296 CB GLN A 31 4.305 -10.973 5.561 1.00 0.00 C ATOM 297 CG GLN A 31 3.792 -11.736 6.797 1.00 0.00 C ATOM 298 CD GLN A 31 2.355 -12.252 6.648 1.00 0.00 C ATOM 299 OE1 GLN A 31 2.022 -13.008 5.746 1.00 0.00 O ATOM 300 NE2 GLN A 31 1.455 -11.662 7.388 1.00 0.00 N ATOM 0 H GLN A 31 2.133 -11.308 4.528 1.00 0.00 H new ATOM 0 HA GLN A 31 3.135 -9.206 6.026 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.371 -11.666 4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.316 -10.617 5.761 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.454 -12.580 6.993 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.845 -11.080 7.666 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.743 -11.033 8.138 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.464 -11.830 7.216 1.00 0.00 H new ATOM 302 N SER A 32 4.286 -9.058 2.980 1.00 0.00 N ATOM 303 CA SER A 32 4.947 -8.195 1.980 1.00 0.00 C ATOM 304 C SER A 32 4.327 -6.789 1.904 1.00 0.00 C ATOM 305 O SER A 32 5.028 -5.786 1.975 1.00 0.00 O ATOM 306 CB SER A 32 4.819 -8.857 0.609 1.00 0.00 C ATOM 307 OG SER A 32 5.524 -10.105 0.594 1.00 0.00 O ATOM 0 H SER A 32 3.871 -9.895 2.571 1.00 0.00 H new ATOM 0 HA SER A 32 5.988 -8.079 2.281 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.768 -9.022 0.374 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.218 -8.196 -0.161 1.00 0.00 H new ATOM 0 HG SER A 32 5.434 -10.521 -0.289 1.00 0.00 H new ATOM 310 N ILE A 33 2.994 -6.733 1.814 1.00 0.00 N ATOM 311 CA ILE A 33 2.256 -5.445 1.791 1.00 0.00 C ATOM 312 C ILE A 33 2.391 -4.706 3.146 1.00 0.00 C ATOM 313 O ILE A 33 2.480 -3.478 3.178 1.00 0.00 O ATOM 314 CB ILE A 33 0.775 -5.625 1.425 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.665 -6.504 0.165 1.00 0.00 C ATOM 316 CG2 ILE A 33 0.130 -4.265 1.162 1.00 0.00 C ATOM 317 CD1 ILE A 33 -0.690 -7.168 0.076 1.00 0.00 C ATOM 0 H ILE A 33 2.396 -7.557 1.756 1.00 0.00 H new ATOM 0 HA ILE A 33 2.711 -4.836 1.010 1.00 0.00 H new ATOM 0 HB ILE A 33 0.256 -6.106 2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.832 -5.894 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.445 -7.265 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.920 -4.404 0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.204 -3.648 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.645 -3.772 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.736 -7.781 -0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.845 -7.797 0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.467 -6.405 0.035 1.00 0.00 H new ATOM 319 N GLN A 34 2.397 -5.472 4.237 1.00 0.00 N ATOM 320 CA GLN A 34 2.650 -4.915 5.588 1.00 0.00 C ATOM 321 C GLN A 34 3.996 -4.194 5.674 1.00 0.00 C ATOM 322 O GLN A 34 4.087 -3.170 6.335 1.00 0.00 O ATOM 323 CB GLN A 34 2.689 -5.940 6.723 1.00 0.00 C ATOM 324 CG GLN A 34 1.492 -6.895 6.727 1.00 0.00 C ATOM 325 CD GLN A 34 1.393 -7.629 8.071 1.00 0.00 C ATOM 326 OE1 GLN A 34 1.837 -8.754 8.246 1.00 0.00 O ATOM 327 NE2 GLN A 34 0.737 -6.995 9.020 1.00 0.00 N ATOM 0 H GLN A 34 2.231 -6.478 4.224 1.00 0.00 H new ATOM 0 HA GLN A 34 1.797 -4.249 5.719 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.607 -6.522 6.645 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.726 -5.413 7.676 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.574 -6.337 6.542 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.594 -7.618 5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.376 -6.056 8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.590 -7.442 9.925 1.00 0.00 H new ATOM 329 N LEU A 35 5.021 -4.719 5.002 1.00 0.00 N ATOM 330 CA LEU A 35 6.356 -4.106 4.932 1.00 0.00 C ATOM 331 C LEU A 35 6.376 -2.677 4.355 1.00 0.00 C ATOM 332 O LEU A 35 7.278 -1.887 4.657 1.00 0.00 O ATOM 333 CB LEU A 35 7.273 -5.066 4.167 1.00 0.00 C ATOM 334 CG LEU A 35 8.156 -5.981 5.055 1.00 0.00 C ATOM 335 CD1 LEU A 35 9.264 -5.178 5.735 1.00 0.00 C ATOM 336 CD2 LEU A 35 7.360 -6.818 6.070 1.00 0.00 C ATOM 0 H LEU A 35 4.951 -5.594 4.482 1.00 0.00 H new ATOM 0 HA LEU A 35 6.721 -3.963 5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.658 -5.695 3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.923 -4.481 3.516 1.00 0.00 H new ATOM 0 HG LEU A 35 8.614 -6.704 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.869 -5.843 6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.894 -4.713 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.820 -4.405 6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.046 -7.432 6.654 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.810 -6.154 6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.659 -7.462 5.540 1.00 0.00 H new ATOM 338 N ILE A 36 5.356 -2.353 3.558 1.00 0.00 N ATOM 339 CA ILE A 36 5.092 -0.976 3.085 1.00 0.00 C ATOM 340 C ILE A 36 4.331 -0.203 4.189 1.00 0.00 C ATOM 341 O ILE A 36 4.772 0.864 4.599 1.00 0.00 O ATOM 342 CB ILE A 36 4.232 -0.915 1.801 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.430 -2.067 0.805 1.00 0.00 C ATOM 344 CG2 ILE A 36 4.377 0.469 1.148 1.00 0.00 C ATOM 345 CD1 ILE A 36 5.871 -2.349 0.373 1.00 0.00 C ATOM 0 H ILE A 36 4.681 -3.037 3.216 1.00 0.00 H new ATOM 0 HA ILE A 36 6.064 -0.538 2.858 1.00 0.00 H new ATOM 0 HB ILE A 36 3.201 -1.062 2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.021 -2.976 1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.841 -1.853 -0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.770 0.510 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.042 1.237 1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.422 0.643 0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.884 -3.182 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.287 -1.463 -0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.470 -2.603 1.248 1.00 0.00 H new ATOM 347 N GLU A 37 3.201 -0.757 4.617 1.00 0.00 N ATOM 348 CA GLU A 37 2.348 -0.230 5.702 1.00 0.00 C ATOM 349 C GLU A 37 3.142 0.162 6.970 1.00 0.00 C ATOM 350 O GLU A 37 2.973 1.259 7.490 1.00 0.00 O ATOM 351 CB GLU A 37 1.299 -1.293 6.002 1.00 0.00 C ATOM 352 CG GLU A 37 0.094 -0.743 6.780 1.00 0.00 C ATOM 353 CD GLU A 37 -0.100 -1.495 8.095 1.00 0.00 C ATOM 354 OE1 GLU A 37 -0.705 -2.597 8.025 1.00 0.00 O ATOM 355 OE2 GLU A 37 0.414 -1.005 9.120 1.00 0.00 O ATOM 0 H GLU A 37 2.832 -1.616 4.210 1.00 0.00 H new ATOM 0 HA GLU A 37 1.882 0.699 5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.952 -1.728 5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.759 -2.098 6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.241 0.318 6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.806 -0.830 6.172 1.00 0.00 H new ATOM 357 N ALA A 38 4.085 -0.696 7.351 1.00 0.00 N ATOM 358 CA ALA A 38 5.036 -0.498 8.474 1.00 0.00 C ATOM 359 C ALA A 38 6.102 0.585 8.232 1.00 0.00 C ATOM 360 O ALA A 38 6.839 0.954 9.142 1.00 0.00 O ATOM 361 CB ALA A 38 5.677 -1.859 8.774 1.00 0.00 C ATOM 0 H ALA A 38 4.224 -1.588 6.876 1.00 0.00 H new ATOM 0 HA ALA A 38 4.476 -0.121 9.330 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.385 -1.755 9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.902 -2.573 9.051 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.201 -2.218 7.888 1.00 0.00 H new ATOM 363 N GLY A 39 6.183 1.058 6.985 1.00 0.00 N ATOM 364 CA GLY A 39 7.100 2.119 6.512 1.00 0.00 C ATOM 365 C GLY A 39 8.571 1.696 6.444 1.00 0.00 C ATOM 366 O GLY A 39 9.456 2.515 6.666 1.00 0.00 O ATOM 0 H GLY A 39 5.587 0.701 6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.781 2.444 5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.012 2.981 7.174 1.00 0.00 H new ATOM 368 N VAL A 40 8.799 0.509 5.897 1.00 0.00 N ATOM 369 CA VAL A 40 10.139 -0.112 5.915 1.00 0.00 C ATOM 370 C VAL A 40 10.638 -0.308 4.467 1.00 0.00 C ATOM 371 O VAL A 40 11.686 0.209 4.070 1.00 0.00 O ATOM 372 CB VAL A 40 10.151 -1.446 6.692 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.578 -1.956 6.895 1.00 0.00 C ATOM 374 CG2 VAL A 40 9.500 -1.341 8.080 1.00 0.00 C ATOM 0 H VAL A 40 8.083 -0.050 5.434 1.00 0.00 H new ATOM 0 HA VAL A 40 10.817 0.560 6.441 1.00 0.00 H new ATOM 0 HB VAL A 40 9.572 -2.136 6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.553 -2.897 7.445 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.049 -2.115 5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.150 -1.220 7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.540 -2.311 8.575 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.037 -0.605 8.679 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.460 -1.032 7.972 1.00 0.00 H new ATOM 376 N THR A 41 9.816 -1.003 3.692 1.00 0.00 N ATOM 377 CA THR A 41 10.068 -1.243 2.255 1.00 0.00 C ATOM 378 C THR A 41 9.596 -0.018 1.452 1.00 0.00 C ATOM 379 O THR A 41 8.469 0.058 0.968 1.00 0.00 O ATOM 380 CB THR A 41 9.319 -2.502 1.804 1.00 0.00 C ATOM 381 OG1 THR A 41 9.610 -3.581 2.690 1.00 0.00 O ATOM 382 CG2 THR A 41 9.664 -2.905 0.365 1.00 0.00 C ATOM 0 H THR A 41 8.950 -1.422 4.032 1.00 0.00 H new ATOM 0 HA THR A 41 11.134 -1.394 2.083 1.00 0.00 H new ATOM 0 HB THR A 41 8.254 -2.272 1.830 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.545 -4.430 2.204 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.107 -3.802 0.095 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.398 -2.095 -0.314 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.733 -3.105 0.289 1.00 0.00 H new ATOM 385 N LYS A 42 10.484 0.964 1.403 1.00 0.00 N ATOM 386 CA LYS A 42 10.284 2.162 0.550 1.00 0.00 C ATOM 387 C LYS A 42 10.429 1.927 -0.967 1.00 0.00 C ATOM 388 O LYS A 42 10.177 2.827 -1.768 1.00 0.00 O ATOM 389 CB LYS A 42 11.203 3.286 1.046 1.00 0.00 C ATOM 390 CG LYS A 42 12.642 2.782 0.963 1.00 0.00 C ATOM 391 CD LYS A 42 13.632 3.667 1.680 1.00 0.00 C ATOM 392 CE LYS A 42 14.936 2.898 1.547 1.00 0.00 C ATOM 393 NZ LYS A 42 15.955 3.741 2.157 1.00 0.00 N ATOM 0 H LYS A 42 11.353 0.970 1.937 1.00 0.00 H new ATOM 0 HA LYS A 42 9.238 2.449 0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.076 4.181 0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.953 3.560 2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.692 1.778 1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.931 2.702 -0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.697 4.654 1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.357 3.818 2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.874 1.933 2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.168 2.698 0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.879 3.267 2.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.000 4.650 1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.715 3.908 3.155 1.00 0.00 H new ATOM 398 N ARG A 43 10.862 0.722 -1.345 1.00 0.00 N ATOM 399 CA ARG A 43 10.933 0.269 -2.755 1.00 0.00 C ATOM 400 C ARG A 43 10.179 -1.066 -2.933 1.00 0.00 C ATOM 401 O ARG A 43 10.760 -2.127 -2.679 1.00 0.00 O ATOM 402 CB ARG A 43 12.399 0.184 -3.179 1.00 0.00 C ATOM 403 CG ARG A 43 12.632 -0.248 -4.639 1.00 0.00 C ATOM 404 CD ARG A 43 12.122 0.775 -5.653 1.00 0.00 C ATOM 405 NE ARG A 43 10.858 0.331 -6.290 1.00 0.00 N ATOM 406 CZ ARG A 43 10.762 -0.353 -7.431 1.00 0.00 C ATOM 407 NH1 ARG A 43 11.837 -0.781 -8.088 1.00 0.00 N ATOM 408 NH2 ARG A 43 9.579 -0.687 -7.919 1.00 0.00 N ATOM 0 H ARG A 43 11.179 0.017 -0.679 1.00 0.00 H new ATOM 0 HA ARG A 43 10.439 0.988 -3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.863 1.159 -3.026 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.911 -0.519 -2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.698 -0.409 -4.799 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.136 -1.203 -4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.963 1.732 -5.156 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.879 0.936 -6.420 1.00 0.00 H new ATOM 0 HE ARG A 43 9.988 0.569 -5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.769 -0.588 -7.721 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.729 -1.302 -8.958 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.729 -0.421 -7.422 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.517 -1.210 -8.792 1.00 0.00 H new ATOM 411 N PRO A 44 8.860 -1.014 -3.180 1.00 0.00 N ATOM 412 CA PRO A 44 8.091 -2.223 -3.530 1.00 0.00 C ATOM 413 C PRO A 44 8.132 -2.568 -5.025 1.00 0.00 C ATOM 414 O PRO A 44 7.447 -1.964 -5.845 1.00 0.00 O ATOM 415 CB PRO A 44 6.666 -1.933 -3.056 1.00 0.00 C ATOM 416 CG PRO A 44 6.554 -0.411 -3.115 1.00 0.00 C ATOM 417 CD PRO A 44 7.963 0.059 -2.750 1.00 0.00 C ATOM 0 HA PRO A 44 8.521 -3.103 -3.051 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.927 -2.412 -3.699 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.499 -2.306 -2.045 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.259 -0.067 -4.107 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.810 -0.035 -2.413 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.205 0.996 -3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.051 0.238 -1.678 1.00 0.00 H new ATOM 418 N ARG A 45 8.827 -3.657 -5.331 1.00 0.00 N ATOM 419 CA ARG A 45 8.849 -4.218 -6.699 1.00 0.00 C ATOM 420 C ARG A 45 7.453 -4.675 -7.160 1.00 0.00 C ATOM 421 O ARG A 45 6.982 -4.276 -8.219 1.00 0.00 O ATOM 422 CB ARG A 45 9.859 -5.361 -6.820 1.00 0.00 C ATOM 423 CG ARG A 45 11.296 -4.907 -6.543 1.00 0.00 C ATOM 424 CD ARG A 45 11.884 -5.504 -5.257 1.00 0.00 C ATOM 425 NE ARG A 45 11.247 -4.966 -4.036 1.00 0.00 N ATOM 426 CZ ARG A 45 10.230 -5.507 -3.357 1.00 0.00 C ATOM 427 NH1 ARG A 45 9.630 -6.636 -3.726 1.00 0.00 N ATOM 428 NH2 ARG A 45 9.817 -4.898 -2.263 1.00 0.00 N ATOM 0 H ARG A 45 9.388 -4.178 -4.657 1.00 0.00 H new ATOM 0 HA ARG A 45 9.166 -3.413 -7.362 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.591 -6.154 -6.121 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.803 -5.787 -7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.927 -5.187 -7.387 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.319 -3.819 -6.474 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.765 -6.587 -5.277 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.954 -5.301 -5.223 1.00 0.00 H new ATOM 0 HE ARG A 45 11.623 -4.090 -3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.942 -7.130 -4.562 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.858 -7.007 -3.173 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.271 -4.038 -1.956 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.043 -5.287 -1.724 1.00 0.00 H new ATOM 431 N PHE A 46 6.738 -5.338 -6.247 1.00 0.00 N ATOM 432 CA PHE A 46 5.316 -5.714 -6.432 1.00 0.00 C ATOM 433 C PHE A 46 4.268 -4.570 -6.406 1.00 0.00 C ATOM 434 O PHE A 46 3.073 -4.845 -6.435 1.00 0.00 O ATOM 435 CB PHE A 46 4.866 -6.822 -5.474 1.00 0.00 C ATOM 436 CG PHE A 46 5.368 -6.692 -4.028 1.00 0.00 C ATOM 437 CD1 PHE A 46 5.069 -5.535 -3.260 1.00 0.00 C ATOM 438 CD2 PHE A 46 6.228 -7.686 -3.522 1.00 0.00 C ATOM 439 CE1 PHE A 46 5.650 -5.369 -1.991 1.00 0.00 C ATOM 440 CE2 PHE A 46 6.819 -7.518 -2.255 1.00 0.00 C ATOM 441 CZ PHE A 46 6.529 -6.366 -1.497 1.00 0.00 C ATOM 0 H PHE A 46 7.123 -5.635 -5.350 1.00 0.00 H new ATOM 0 HA PHE A 46 5.329 -6.073 -7.461 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.776 -6.846 -5.461 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.201 -7.780 -5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.397 -4.785 -3.650 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.433 -8.573 -4.103 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.430 -4.493 -1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.491 -8.268 -1.866 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.983 -6.241 -0.525 1.00 0.00 H new ATOM 443 N LEU A 47 4.723 -3.316 -6.492 1.00 0.00 N ATOM 444 CA LEU A 47 3.813 -2.147 -6.481 1.00 0.00 C ATOM 445 C LEU A 47 2.716 -2.184 -7.547 1.00 0.00 C ATOM 446 O LEU A 47 1.566 -1.867 -7.245 1.00 0.00 O ATOM 447 CB LEU A 47 4.594 -0.819 -6.507 1.00 0.00 C ATOM 448 CG LEU A 47 5.008 -0.224 -7.863 1.00 0.00 C ATOM 449 CD1 LEU A 47 5.668 1.138 -7.611 1.00 0.00 C ATOM 450 CD2 LEU A 47 5.975 -1.124 -8.649 1.00 0.00 C ATOM 0 H LEU A 47 5.711 -3.076 -6.570 1.00 0.00 H new ATOM 0 HA LEU A 47 3.281 -2.211 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.991 -0.072 -5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.501 -0.959 -5.918 1.00 0.00 H new ATOM 0 HG LEU A 47 4.109 -0.128 -8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.970 1.578 -8.562 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.959 1.800 -7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.545 1.006 -6.978 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.228 -0.647 -9.596 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.883 -1.278 -8.066 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.500 -2.086 -8.843 1.00 0.00 H new ATOM 452 N PHE A 48 3.045 -2.735 -8.724 1.00 0.00 N ATOM 453 CA PHE A 48 2.096 -2.989 -9.821 1.00 0.00 C ATOM 454 C PHE A 48 0.913 -3.839 -9.354 1.00 0.00 C ATOM 455 O PHE A 48 -0.199 -3.340 -9.218 1.00 0.00 O ATOM 456 CB PHE A 48 2.866 -3.699 -10.944 1.00 0.00 C ATOM 457 CG PHE A 48 2.044 -3.891 -12.215 1.00 0.00 C ATOM 458 CD1 PHE A 48 1.924 -2.818 -13.120 1.00 0.00 C ATOM 459 CD2 PHE A 48 1.504 -5.163 -12.526 1.00 0.00 C ATOM 460 CE1 PHE A 48 1.270 -3.006 -14.357 1.00 0.00 C ATOM 461 CE2 PHE A 48 0.852 -5.358 -13.757 1.00 0.00 C ATOM 462 CZ PHE A 48 0.743 -4.284 -14.664 1.00 0.00 C ATOM 0 H PHE A 48 3.998 -3.023 -8.946 1.00 0.00 H new ATOM 0 HA PHE A 48 1.681 -2.046 -10.177 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.760 -3.123 -11.182 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.200 -4.673 -10.586 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.333 -1.851 -12.867 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.592 -5.978 -11.823 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.173 -2.189 -15.057 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.438 -6.324 -14.006 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.248 -4.439 -15.611 1.00 0.00 H new ATOM 464 N GLU A 49 1.257 -5.059 -8.935 1.00 0.00 N ATOM 465 CA GLU A 49 0.327 -6.055 -8.361 1.00 0.00 C ATOM 466 C GLU A 49 -0.627 -5.450 -7.323 1.00 0.00 C ATOM 467 O GLU A 49 -1.810 -5.316 -7.611 1.00 0.00 O ATOM 468 CB GLU A 49 1.135 -7.224 -7.767 1.00 0.00 C ATOM 469 CG GLU A 49 1.758 -8.170 -8.802 1.00 0.00 C ATOM 470 CD GLU A 49 3.085 -7.662 -9.371 1.00 0.00 C ATOM 471 OE1 GLU A 49 4.083 -7.745 -8.629 1.00 0.00 O ATOM 472 OE2 GLU A 49 3.052 -7.065 -10.465 1.00 0.00 O ATOM 0 H GLU A 49 2.218 -5.399 -8.984 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.308 -6.424 -9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.931 -6.817 -7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.482 -7.803 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.918 -9.145 -8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.053 -8.316 -9.620 1.00 0.00 H new ATOM 474 N ILE A 50 -0.040 -4.815 -6.294 1.00 0.00 N ATOM 475 CA ILE A 50 -0.818 -4.171 -5.210 1.00 0.00 C ATOM 476 C ILE A 50 -1.703 -3.035 -5.750 1.00 0.00 C ATOM 477 O ILE A 50 -2.916 -3.071 -5.565 1.00 0.00 O ATOM 478 CB ILE A 50 0.071 -3.650 -4.062 1.00 0.00 C ATOM 479 CG1 ILE A 50 0.967 -4.785 -3.523 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.791 -3.021 -2.949 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.055 -4.253 -2.580 1.00 0.00 C ATOM 0 H ILE A 50 0.971 -4.731 -6.186 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.458 -4.952 -4.798 1.00 0.00 H new ATOM 0 HB ILE A 50 0.724 -2.867 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.352 -5.514 -2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.433 -5.308 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.145 -2.660 -2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.362 -2.188 -3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.476 -3.770 -2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.664 -5.083 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.686 -3.544 -3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.588 -3.753 -1.731 1.00 0.00 H new ATOM 483 N ALA A 51 -1.084 -2.060 -6.422 1.00 0.00 N ATOM 484 CA ALA A 51 -1.803 -0.856 -6.888 1.00 0.00 C ATOM 485 C ALA A 51 -2.963 -1.177 -7.838 1.00 0.00 C ATOM 486 O ALA A 51 -4.099 -0.821 -7.540 1.00 0.00 O ATOM 487 CB ALA A 51 -0.840 0.139 -7.512 1.00 0.00 C ATOM 0 H ALA A 51 -0.092 -2.074 -6.658 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.252 -0.401 -6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.391 1.017 -7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.096 0.438 -6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.340 -0.323 -8.363 1.00 0.00 H new ATOM 489 N MET A 52 -2.725 -2.062 -8.801 1.00 0.00 N ATOM 490 CA MET A 52 -3.762 -2.516 -9.741 1.00 0.00 C ATOM 491 C MET A 52 -4.899 -3.295 -9.059 1.00 0.00 C ATOM 492 O MET A 52 -6.071 -2.958 -9.232 1.00 0.00 O ATOM 493 CB MET A 52 -3.082 -3.303 -10.853 1.00 0.00 C ATOM 494 CG MET A 52 -2.734 -2.344 -11.993 1.00 0.00 C ATOM 495 SD MET A 52 -4.241 -1.694 -12.799 1.00 0.00 S ATOM 496 CE MET A 52 -3.569 -0.961 -14.269 1.00 0.00 C ATOM 0 H MET A 52 -1.812 -2.488 -8.957 1.00 0.00 H new ATOM 0 HA MET A 52 -4.263 -1.647 -10.169 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.180 -3.785 -10.477 1.00 0.00 H new ATOM 0 HB3 MET A 52 -3.740 -4.094 -11.213 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.140 -1.516 -11.606 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.119 -2.860 -12.730 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.375 -0.525 -14.859 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.857 -0.182 -13.995 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.062 -1.725 -14.857 1.00 0.00 H new ATOM 498 N ALA A 53 -4.506 -4.200 -8.155 1.00 0.00 N ATOM 499 CA ALA A 53 -5.430 -4.932 -7.264 1.00 0.00 C ATOM 500 C ALA A 53 -6.319 -3.987 -6.405 1.00 0.00 C ATOM 501 O ALA A 53 -7.523 -4.192 -6.310 1.00 0.00 O ATOM 502 CB ALA A 53 -4.633 -5.867 -6.356 1.00 0.00 C ATOM 0 H ALA A 53 -3.527 -4.451 -8.016 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.104 -5.506 -7.900 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.316 -6.406 -5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.077 -6.580 -6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.936 -5.283 -5.754 1.00 0.00 H new ATOM 504 N LEU A 54 -5.716 -2.916 -5.886 1.00 0.00 N ATOM 505 CA LEU A 54 -6.397 -1.897 -5.069 1.00 0.00 C ATOM 506 C LEU A 54 -6.950 -0.712 -5.900 1.00 0.00 C ATOM 507 O LEU A 54 -7.265 0.359 -5.364 1.00 0.00 O ATOM 508 CB LEU A 54 -5.348 -1.463 -4.019 1.00 0.00 C ATOM 509 CG LEU A 54 -5.944 -1.062 -2.670 1.00 0.00 C ATOM 510 CD1 LEU A 54 -6.634 -2.232 -1.968 1.00 0.00 C ATOM 511 CD2 LEU A 54 -4.857 -0.489 -1.756 1.00 0.00 C ATOM 0 H LEU A 54 -4.723 -2.725 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.293 -2.301 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.644 -2.281 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.778 -0.623 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.699 -0.302 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.041 -1.895 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.443 -2.607 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.911 -3.029 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.297 -0.208 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.085 -1.241 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.414 0.390 -2.224 1.00 0.00 H new ATOM 513 N ASN A 55 -7.100 -0.932 -7.211 1.00 0.00 N ATOM 514 CA ASN A 55 -7.612 0.021 -8.237 1.00 0.00 C ATOM 515 C ASN A 55 -6.899 1.387 -8.272 1.00 0.00 C ATOM 516 O ASN A 55 -7.422 2.442 -8.612 1.00 0.00 O ATOM 517 CB ASN A 55 -9.119 0.246 -8.065 1.00 0.00 C ATOM 518 CG ASN A 55 -9.787 0.877 -9.308 1.00 0.00 C ATOM 519 OD1 ASN A 55 -10.753 0.161 -9.803 1.00 0.00 O flip ATOM 520 ND2 ASN A 55 -9.324 1.737 -10.035 1.00 0.00 N flip ATOM 0 H ASN A 55 -6.856 -1.833 -7.623 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.395 -0.462 -9.190 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.600 -0.708 -7.847 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.287 0.892 -7.203 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.564 2.331 -9.703 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.696 1.864 -10.976 1.00 0.00 H new ATOM 522 N CYS A 56 -5.622 1.334 -7.974 1.00 0.00 N ATOM 523 CA CYS A 56 -4.787 2.533 -7.974 1.00 0.00 C ATOM 524 C CYS A 56 -3.580 2.380 -8.894 1.00 0.00 C ATOM 525 O CYS A 56 -3.340 1.336 -9.491 1.00 0.00 O ATOM 526 CB CYS A 56 -4.443 2.968 -6.546 1.00 0.00 C ATOM 527 SG CYS A 56 -3.872 1.634 -5.431 1.00 0.00 S ATOM 0 H CYS A 56 -5.129 0.476 -7.727 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.361 3.356 -8.399 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.668 3.733 -6.595 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.324 3.434 -6.105 1.00 0.00 H new ATOM 0 HG CYS A 56 -4.055 0.481 -6.004 1.00 0.00 H new ATOM 529 N ASP A 57 -2.875 3.490 -9.068 1.00 0.00 N ATOM 530 CA ASP A 57 -1.768 3.567 -10.029 1.00 0.00 C ATOM 531 C ASP A 57 -0.484 2.967 -9.413 1.00 0.00 C ATOM 532 O ASP A 57 -0.184 3.247 -8.251 1.00 0.00 O ATOM 533 CB ASP A 57 -1.641 5.047 -10.406 1.00 0.00 C ATOM 534 CG ASP A 57 -0.641 5.344 -11.512 1.00 0.00 C ATOM 535 OD1 ASP A 57 0.568 5.190 -11.212 1.00 0.00 O ATOM 536 OD2 ASP A 57 -1.073 5.692 -12.625 1.00 0.00 O ATOM 0 H ASP A 57 -3.046 4.356 -8.557 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.946 2.981 -10.930 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.620 5.413 -10.714 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.355 5.610 -9.517 1.00 0.00 H new