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 31 GLN : amide:sc= -0.0239 K(o=1.2,f=-2.7!) USER MOD Set 1.2: A 32 SER OG : rot 37:sc= 1.22 USER MOD Set 2.1: A 30 GLN : amide:sc= -0.218 K(o=-0.26,f=-4.9!) USER MOD Set 2.2: A 34 GLN : amide:sc= -0.0427 K(o=-0.26,f=-1.4) USER MOD Set 3.1: A 17 MET CE :methyl 162:sc= 0 (180deg=-0.164) USER MOD Set 3.2: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.00829 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -139:sc= -0.197 (180deg=-1.25!) USER MOD Single : A 16 LYS NZ :NH3+ -130:sc= -0.0231 (180deg=-0.433) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00126 USER MOD Single : A 19 GLN :FLIP amide:sc= -5.35! C(o=-7.7!,f=-5.3!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 81:sc= 1.09 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -150:sc= -3.02! USER MOD Single : A 42 LYS NZ :NH3+ 134:sc= 0.0221 (180deg=-0.212) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot 180:sc= -1.04 USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 4 4.740 5.968 0.883 1.00 0.00 N ATOM 29 CA LEU A 4 4.417 4.548 0.672 1.00 0.00 C ATOM 30 C LEU A 4 3.294 4.018 1.583 1.00 0.00 C ATOM 31 O LEU A 4 2.204 3.687 1.122 1.00 0.00 O ATOM 32 CB LEU A 4 5.667 3.698 0.910 1.00 0.00 C ATOM 33 CG LEU A 4 6.473 3.611 -0.376 1.00 0.00 C ATOM 34 CD1 LEU A 4 7.734 4.493 -0.321 1.00 0.00 C ATOM 35 CD2 LEU A 4 6.826 2.151 -0.627 1.00 0.00 C ATOM 0 HA LEU A 4 4.062 4.472 -0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.273 4.137 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.383 2.699 1.242 1.00 0.00 H new ATOM 0 HG LEU A 4 5.873 3.990 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.282 4.403 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.444 5.533 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.369 4.169 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.405 2.070 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.415 1.770 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.911 1.566 -0.722 1.00 0.00 H new ATOM 37 N SER A 5 3.491 4.260 2.870 1.00 0.00 N ATOM 38 CA SER A 5 2.642 3.694 3.916 1.00 0.00 C ATOM 39 C SER A 5 1.294 4.404 4.045 1.00 0.00 C ATOM 40 O SER A 5 0.266 3.796 3.757 1.00 0.00 O ATOM 41 CB SER A 5 3.415 3.656 5.237 1.00 0.00 C ATOM 42 OG SER A 5 4.053 4.912 5.521 1.00 0.00 O ATOM 0 H SER A 5 4.242 4.853 3.222 1.00 0.00 H new ATOM 0 HA SER A 5 2.390 2.673 3.630 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.733 3.403 6.049 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.167 2.868 5.195 1.00 0.00 H new ATOM 0 HG SER A 5 4.535 4.849 6.372 1.00 0.00 H new ATOM 45 N GLU A 6 1.390 5.734 4.112 1.00 0.00 N ATOM 46 CA GLU A 6 0.235 6.635 4.240 1.00 0.00 C ATOM 47 C GLU A 6 -0.755 6.481 3.082 1.00 0.00 C ATOM 48 O GLU A 6 -1.864 5.984 3.294 1.00 0.00 O ATOM 49 CB GLU A 6 0.768 8.061 4.302 1.00 0.00 C ATOM 50 CG GLU A 6 0.845 8.589 5.736 1.00 0.00 C ATOM 51 CD GLU A 6 1.494 9.971 5.745 1.00 0.00 C ATOM 52 OE1 GLU A 6 2.691 10.021 5.372 1.00 0.00 O ATOM 53 OE2 GLU A 6 0.799 10.939 6.127 1.00 0.00 O ATOM 0 H GLU A 6 2.283 6.225 4.079 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.317 6.384 5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.759 8.096 3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.125 8.713 3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.155 8.644 6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.422 7.902 6.355 1.00 0.00 H new ATOM 55 N ARG A 7 -0.224 6.620 1.870 1.00 0.00 N ATOM 56 CA ARG A 7 -1.014 6.594 0.634 1.00 0.00 C ATOM 57 C ARG A 7 -1.725 5.247 0.426 1.00 0.00 C ATOM 58 O ARG A 7 -2.945 5.173 0.317 1.00 0.00 O ATOM 59 CB ARG A 7 -0.027 6.893 -0.493 1.00 0.00 C ATOM 60 CG ARG A 7 -0.645 7.645 -1.663 1.00 0.00 C ATOM 61 CD ARG A 7 -1.020 9.060 -1.219 1.00 0.00 C ATOM 62 NE ARG A 7 -1.371 9.907 -2.366 1.00 0.00 N ATOM 63 CZ ARG A 7 -2.406 10.744 -2.420 1.00 0.00 C ATOM 64 NH1 ARG A 7 -3.256 10.898 -1.407 1.00 0.00 N ATOM 65 NH2 ARG A 7 -2.575 11.501 -3.492 1.00 0.00 N ATOM 0 H ARG A 7 0.775 6.755 1.713 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.817 7.331 0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.801 7.478 -0.093 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.392 5.954 -0.856 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.059 7.688 -2.494 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.530 7.118 -2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.861 9.015 -0.527 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.186 9.506 -0.677 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.773 9.850 -3.190 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.127 10.364 -0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.036 11.550 -1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.916 11.441 -4.268 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.365 12.145 -3.542 1.00 0.00 H new ATOM 68 N LEU A 8 -0.945 4.183 0.624 1.00 0.00 N ATOM 69 CA LEU A 8 -1.431 2.799 0.459 1.00 0.00 C ATOM 70 C LEU A 8 -2.487 2.373 1.508 1.00 0.00 C ATOM 71 O LEU A 8 -3.555 1.904 1.120 1.00 0.00 O ATOM 72 CB LEU A 8 -0.257 1.824 0.412 1.00 0.00 C ATOM 73 CG LEU A 8 -0.710 0.408 0.006 1.00 0.00 C ATOM 74 CD1 LEU A 8 -1.312 0.397 -1.401 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.467 -0.560 0.048 1.00 0.00 C ATOM 0 H LEU A 8 0.034 4.248 0.901 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.955 2.769 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.488 2.185 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.224 1.786 1.389 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.473 0.094 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.621 -0.616 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.177 1.059 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.567 0.741 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.130 -1.555 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.240 -0.223 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.874 -0.594 1.059 1.00 0.00 H new ATOM 77 N LYS A 9 -2.187 2.546 2.793 1.00 0.00 N ATOM 78 CA LYS A 9 -3.131 2.118 3.858 1.00 0.00 C ATOM 79 C LYS A 9 -4.485 2.851 3.842 1.00 0.00 C ATOM 80 O LYS A 9 -5.525 2.205 3.943 1.00 0.00 O ATOM 81 CB LYS A 9 -2.486 2.094 5.240 1.00 0.00 C ATOM 82 CG LYS A 9 -2.054 3.447 5.821 1.00 0.00 C ATOM 83 CD LYS A 9 -1.198 3.171 7.056 1.00 0.00 C ATOM 84 CE LYS A 9 -0.678 4.461 7.699 1.00 0.00 C ATOM 85 NZ LYS A 9 0.166 4.115 8.841 1.00 0.00 N ATOM 0 H LYS A 9 -1.322 2.968 3.131 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.378 1.085 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.188 1.633 5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.610 1.447 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.489 4.017 5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.926 4.045 6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.785 2.614 7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.354 2.540 6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.109 5.041 6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.512 5.084 8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.524 4.985 9.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.392 3.577 9.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.967 3.536 8.518 1.00 0.00 H new ATOM 90 N LYS A 10 -4.443 4.139 3.509 1.00 0.00 N ATOM 91 CA LYS A 10 -5.647 4.973 3.339 1.00 0.00 C ATOM 92 C LYS A 10 -6.587 4.454 2.243 1.00 0.00 C ATOM 93 O LYS A 10 -7.796 4.354 2.441 1.00 0.00 O ATOM 94 CB LYS A 10 -5.209 6.406 3.008 1.00 0.00 C ATOM 95 CG LYS A 10 -4.695 7.188 4.219 1.00 0.00 C ATOM 96 CD LYS A 10 -5.860 7.624 5.128 1.00 0.00 C ATOM 97 CE LYS A 10 -5.328 8.245 6.419 1.00 0.00 C ATOM 98 NZ LYS A 10 -4.542 7.208 7.094 1.00 0.00 N ATOM 0 H LYS A 10 -3.571 4.643 3.347 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.208 4.939 4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.426 6.371 2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.052 6.942 2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.998 6.571 4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.143 8.066 3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.489 8.344 4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.487 6.764 5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.712 9.118 6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.148 8.582 7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.733 7.237 8.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.805 6.274 6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.529 7.376 6.927 1.00 0.00 H new ATOM 103 N ARG A 11 -5.987 4.029 1.140 1.00 0.00 N ATOM 104 CA ARG A 11 -6.698 3.429 -0.004 1.00 0.00 C ATOM 105 C ARG A 11 -7.404 2.114 0.302 1.00 0.00 C ATOM 106 O ARG A 11 -8.593 1.969 -0.005 1.00 0.00 O ATOM 107 CB ARG A 11 -5.661 3.251 -1.123 1.00 0.00 C ATOM 108 CG ARG A 11 -6.283 3.007 -2.503 1.00 0.00 C ATOM 109 CD ARG A 11 -7.165 4.197 -2.892 1.00 0.00 C ATOM 110 NE ARG A 11 -7.547 4.118 -4.308 1.00 0.00 N ATOM 111 CZ ARG A 11 -7.550 5.163 -5.146 1.00 0.00 C ATOM 112 NH1 ARG A 11 -7.394 6.405 -4.698 1.00 0.00 N ATOM 113 NH2 ARG A 11 -7.887 4.989 -6.408 1.00 0.00 N ATOM 0 H ARG A 11 -4.978 4.088 1.003 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.509 4.097 -0.294 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.032 4.140 -1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.010 2.413 -0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.498 2.866 -3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.876 2.093 -2.488 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.059 4.212 -2.269 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.631 5.129 -2.706 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.828 3.209 -4.677 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.269 6.575 -3.700 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.399 7.188 -5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.144 4.061 -6.744 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.890 5.782 -7.049 1.00 0.00 H new ATOM 116 N ARG A 12 -6.708 1.227 1.008 1.00 0.00 N ATOM 117 CA ARG A 12 -7.276 -0.043 1.509 1.00 0.00 C ATOM 118 C ARG A 12 -8.605 0.153 2.252 1.00 0.00 C ATOM 119 O ARG A 12 -9.591 -0.521 1.941 1.00 0.00 O ATOM 120 CB ARG A 12 -6.255 -0.749 2.396 1.00 0.00 C ATOM 121 CG ARG A 12 -5.782 -2.040 1.735 1.00 0.00 C ATOM 122 CD ARG A 12 -4.754 -2.771 2.601 1.00 0.00 C ATOM 123 NE ARG A 12 -3.430 -2.130 2.476 1.00 0.00 N ATOM 124 CZ ARG A 12 -2.668 -1.692 3.479 1.00 0.00 C ATOM 125 NH1 ARG A 12 -3.180 -1.387 4.670 1.00 0.00 N ATOM 126 NH2 ARG A 12 -1.457 -1.239 3.219 1.00 0.00 N ATOM 0 H ARG A 12 -5.728 1.360 1.256 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.499 -0.667 0.644 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.404 -0.092 2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.698 -0.971 3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.637 -2.692 1.555 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.344 -1.813 0.763 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.073 -2.761 3.643 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.690 -3.816 2.297 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.063 -2.011 1.532 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.182 -1.486 4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.570 -1.054 5.417 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.112 -1.226 2.259 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.865 -0.901 3.978 1.00 0.00 H new ATOM 129 N ILE A 13 -8.679 1.247 3.014 1.00 0.00 N ATOM 130 CA ILE A 13 -9.868 1.637 3.797 1.00 0.00 C ATOM 131 C ILE A 13 -11.037 1.991 2.859 1.00 0.00 C ATOM 132 O ILE A 13 -12.106 1.391 2.939 1.00 0.00 O ATOM 133 CB ILE A 13 -9.511 2.780 4.751 1.00 0.00 C ATOM 134 CG1 ILE A 13 -8.371 2.353 5.699 1.00 0.00 C ATOM 135 CG2 ILE A 13 -10.734 3.225 5.562 1.00 0.00 C ATOM 136 CD1 ILE A 13 -7.672 3.496 6.434 1.00 0.00 C ATOM 0 H ILE A 13 -7.903 1.903 3.110 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.198 0.796 4.407 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.174 3.626 4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.775 1.661 6.438 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.626 1.805 5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.451 4.038 6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.515 3.569 4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.107 2.385 6.149 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.888 3.091 7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.231 4.180 5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.397 4.033 7.045 1.00 0.00 H new ATOM 138 N ALA A 14 -10.791 2.931 1.947 1.00 0.00 N ATOM 139 CA ALA A 14 -11.774 3.387 0.930 1.00 0.00 C ATOM 140 C ALA A 14 -12.338 2.244 0.071 1.00 0.00 C ATOM 141 O ALA A 14 -13.533 2.214 -0.222 1.00 0.00 O ATOM 142 CB ALA A 14 -11.121 4.428 0.014 1.00 0.00 C ATOM 0 H ALA A 14 -9.894 3.412 1.882 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.611 3.818 1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.843 4.761 -0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.793 5.281 0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.261 3.983 -0.487 1.00 0.00 H new ATOM 144 N LEU A 15 -11.463 1.291 -0.249 1.00 0.00 N ATOM 145 CA LEU A 15 -11.793 0.064 -0.995 1.00 0.00 C ATOM 146 C LEU A 15 -12.374 -1.077 -0.122 1.00 0.00 C ATOM 147 O LEU A 15 -12.556 -2.188 -0.612 1.00 0.00 O ATOM 148 CB LEU A 15 -10.522 -0.411 -1.711 1.00 0.00 C ATOM 149 CG LEU A 15 -10.297 0.139 -3.136 1.00 0.00 C ATOM 150 CD1 LEU A 15 -11.189 -0.591 -4.144 1.00 0.00 C ATOM 151 CD2 LEU A 15 -10.387 1.656 -3.268 1.00 0.00 C ATOM 0 H LEU A 15 -10.477 1.347 0.008 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.586 0.313 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.662 -0.139 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.545 -1.500 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.255 -0.075 -3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.015 -0.189 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.952 -1.655 -4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.235 -0.450 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.214 1.942 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.378 1.990 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.633 2.122 -2.633 1.00 0.00 H new ATOM 153 N LYS A 16 -12.623 -0.772 1.152 1.00 0.00 N ATOM 154 CA LYS A 16 -13.142 -1.710 2.183 1.00 0.00 C ATOM 155 C LYS A 16 -12.404 -3.060 2.224 1.00 0.00 C ATOM 156 O LYS A 16 -12.941 -4.105 2.604 1.00 0.00 O ATOM 157 CB LYS A 16 -14.651 -1.861 1.988 1.00 0.00 C ATOM 158 CG LYS A 16 -15.369 -0.566 2.363 1.00 0.00 C ATOM 159 CD LYS A 16 -16.858 -0.733 2.079 1.00 0.00 C ATOM 160 CE LYS A 16 -17.264 -0.131 0.736 1.00 0.00 C ATOM 161 NZ LYS A 16 -17.202 1.324 0.928 1.00 0.00 N ATOM 0 H LYS A 16 -12.467 0.166 1.521 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.946 -1.283 3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.866 -2.116 0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.023 -2.681 2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -15.209 -0.336 3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.966 0.269 1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -17.111 -1.793 2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -17.433 -0.260 2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -16.590 -0.452 -0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -18.267 -0.448 0.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -18.087 1.756 0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -17.073 1.536 1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -16.402 1.712 0.388 1.00 0.00 H new ATOM 166 N MET A 17 -11.095 -2.915 2.093 1.00 0.00 N ATOM 167 CA MET A 17 -10.155 -4.020 1.882 1.00 0.00 C ATOM 168 C MET A 17 -9.273 -4.248 3.121 1.00 0.00 C ATOM 169 O MET A 17 -8.714 -3.323 3.710 1.00 0.00 O ATOM 170 CB MET A 17 -9.270 -3.628 0.696 1.00 0.00 C ATOM 171 CG MET A 17 -8.563 -4.805 0.029 1.00 0.00 C ATOM 172 SD MET A 17 -9.627 -5.706 -1.155 1.00 0.00 S ATOM 173 CE MET A 17 -9.592 -4.579 -2.544 1.00 0.00 C ATOM 0 H MET A 17 -10.638 -2.004 2.131 1.00 0.00 H new ATOM 0 HA MET A 17 -10.702 -4.944 1.695 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.882 -3.118 -0.047 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.520 -2.914 1.036 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.678 -4.441 -0.492 1.00 0.00 H new ATOM 0 HG3 MET A 17 -8.219 -5.497 0.798 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.911 -5.102 -3.445 1.00 0.00 H new ATOM 0 HE2 MET A 17 -10.265 -3.744 -2.352 1.00 0.00 H new ATOM 0 HE3 MET A 17 -8.578 -4.203 -2.682 1.00 0.00 H new ATOM 175 N THR A 18 -9.061 -5.529 3.367 1.00 0.00 N ATOM 176 CA THR A 18 -8.057 -6.012 4.336 1.00 0.00 C ATOM 177 C THR A 18 -6.817 -6.429 3.549 1.00 0.00 C ATOM 178 O THR A 18 -6.897 -6.865 2.396 1.00 0.00 O ATOM 179 CB THR A 18 -8.531 -7.235 5.136 1.00 0.00 C ATOM 180 OG1 THR A 18 -9.128 -8.193 4.255 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.455 -6.834 6.280 1.00 0.00 C ATOM 0 H THR A 18 -9.576 -6.278 2.905 1.00 0.00 H new ATOM 0 HA THR A 18 -7.865 -5.205 5.044 1.00 0.00 H new ATOM 0 HB THR A 18 -7.666 -7.707 5.602 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.427 -8.971 4.771 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.770 -7.725 6.823 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.926 -6.164 6.958 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.331 -6.325 5.879 1.00 0.00 H new ATOM 184 N GLN A 19 -5.661 -6.318 4.187 1.00 0.00 N ATOM 185 CA GLN A 19 -4.409 -6.704 3.536 1.00 0.00 C ATOM 186 C GLN A 19 -4.327 -8.145 3.012 1.00 0.00 C ATOM 187 O GLN A 19 -3.703 -8.363 1.983 1.00 0.00 O ATOM 188 CB GLN A 19 -3.256 -6.440 4.472 1.00 0.00 C ATOM 189 CG GLN A 19 -2.342 -5.411 3.802 1.00 0.00 C ATOM 190 CD GLN A 19 -1.183 -4.976 4.697 1.00 0.00 C ATOM 191 OE1 GLN A 19 -0.724 -3.764 4.503 1.00 0.00 O flip ATOM 192 NE2 GLN A 19 -0.721 -5.672 5.596 1.00 0.00 N flip ATOM 0 H GLN A 19 -5.559 -5.970 5.140 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.362 -6.086 2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.618 -6.065 5.429 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.710 -7.361 4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.944 -5.832 2.879 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.930 -4.536 3.525 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.079 -6.615 5.746 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.021 -5.307 6.193 1.00 0.00 H new ATOM 194 N THR A 20 -4.863 -9.107 3.767 1.00 0.00 N ATOM 195 CA THR A 20 -5.006 -10.502 3.281 1.00 0.00 C ATOM 196 C THR A 20 -5.789 -10.634 1.968 1.00 0.00 C ATOM 197 O THR A 20 -5.250 -11.212 1.039 1.00 0.00 O ATOM 198 CB THR A 20 -5.484 -11.496 4.369 1.00 0.00 C ATOM 199 OG1 THR A 20 -5.728 -12.786 3.805 1.00 0.00 O ATOM 200 CG2 THR A 20 -6.711 -11.020 5.146 1.00 0.00 C ATOM 0 H THR A 20 -5.207 -8.957 4.715 1.00 0.00 H new ATOM 0 HA THR A 20 -3.987 -10.801 3.036 1.00 0.00 H new ATOM 0 HB THR A 20 -4.669 -11.558 5.090 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.027 -13.399 4.508 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.985 -11.769 5.889 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.482 -10.079 5.647 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.543 -10.871 4.457 1.00 0.00 H new ATOM 203 N GLU A 21 -6.818 -9.797 1.825 1.00 0.00 N ATOM 204 CA GLU A 21 -7.604 -9.645 0.584 1.00 0.00 C ATOM 205 C GLU A 21 -6.755 -9.074 -0.570 1.00 0.00 C ATOM 206 O GLU A 21 -6.747 -9.604 -1.682 1.00 0.00 O ATOM 207 CB GLU A 21 -8.758 -8.690 0.816 1.00 0.00 C ATOM 208 CG GLU A 21 -10.099 -9.396 1.005 1.00 0.00 C ATOM 209 CD GLU A 21 -11.223 -8.373 1.191 1.00 0.00 C ATOM 210 OE1 GLU A 21 -11.026 -7.441 2.007 1.00 0.00 O ATOM 211 OE2 GLU A 21 -12.265 -8.570 0.521 1.00 0.00 O ATOM 0 H GLU A 21 -7.140 -9.191 2.579 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.960 -10.639 0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.547 -8.084 1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.831 -8.007 -0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.311 -10.024 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.051 -10.054 1.873 1.00 0.00 H new ATOM 213 N LEU A 22 -6.039 -7.994 -0.266 1.00 0.00 N ATOM 214 CA LEU A 22 -5.139 -7.322 -1.200 1.00 0.00 C ATOM 215 C LEU A 22 -4.002 -8.251 -1.649 1.00 0.00 C ATOM 216 O LEU A 22 -3.756 -8.378 -2.838 1.00 0.00 O ATOM 217 CB LEU A 22 -4.651 -6.050 -0.496 1.00 0.00 C ATOM 218 CG LEU A 22 -3.612 -5.265 -1.303 1.00 0.00 C ATOM 219 CD1 LEU A 22 -4.177 -4.739 -2.623 1.00 0.00 C ATOM 220 CD2 LEU A 22 -3.100 -4.097 -0.463 1.00 0.00 C ATOM 0 H LEU A 22 -6.069 -7.553 0.653 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.647 -7.051 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.506 -5.405 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.222 -6.320 0.469 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.797 -5.947 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.402 -4.190 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.515 -5.576 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.017 -4.075 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.360 -3.535 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.932 -3.442 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.642 -4.478 0.449 1.00 0.00 H new ATOM 222 N ALA A 23 -3.421 -8.969 -0.687 1.00 0.00 N ATOM 223 CA ALA A 23 -2.426 -10.030 -0.894 1.00 0.00 C ATOM 224 C ALA A 23 -2.877 -11.104 -1.905 1.00 0.00 C ATOM 225 O ALA A 23 -2.210 -11.278 -2.926 1.00 0.00 O ATOM 226 CB ALA A 23 -2.074 -10.662 0.447 1.00 0.00 C ATOM 0 H ALA A 23 -3.637 -8.824 0.299 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.543 -9.565 -1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.336 -11.450 0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.662 -9.902 1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.972 -11.088 0.895 1.00 0.00 H new ATOM 228 N THR A 24 -4.086 -11.625 -1.698 1.00 0.00 N ATOM 229 CA THR A 24 -4.727 -12.622 -2.575 1.00 0.00 C ATOM 230 C THR A 24 -4.847 -12.094 -4.017 1.00 0.00 C ATOM 231 O THR A 24 -4.219 -12.621 -4.929 1.00 0.00 O ATOM 232 CB THR A 24 -6.104 -12.927 -1.950 1.00 0.00 C ATOM 233 OG1 THR A 24 -5.977 -13.320 -0.581 1.00 0.00 O ATOM 234 CG2 THR A 24 -6.875 -13.981 -2.744 1.00 0.00 C ATOM 0 H THR A 24 -4.665 -11.364 -0.900 1.00 0.00 H new ATOM 0 HA THR A 24 -4.133 -13.533 -2.646 1.00 0.00 H new ATOM 0 HB THR A 24 -6.679 -12.002 -1.989 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.875 -12.523 -0.020 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.838 -14.164 -2.267 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.036 -13.625 -3.761 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.302 -14.908 -2.771 1.00 0.00 H new ATOM 237 N LYS A 25 -5.501 -10.938 -4.144 1.00 0.00 N ATOM 238 CA LYS A 25 -5.737 -10.265 -5.438 1.00 0.00 C ATOM 239 C LYS A 25 -4.452 -9.839 -6.182 1.00 0.00 C ATOM 240 O LYS A 25 -4.351 -10.002 -7.397 1.00 0.00 O ATOM 241 CB LYS A 25 -6.628 -9.060 -5.181 1.00 0.00 C ATOM 242 CG LYS A 25 -8.088 -9.473 -5.053 1.00 0.00 C ATOM 243 CD LYS A 25 -8.944 -8.277 -4.658 1.00 0.00 C ATOM 244 CE LYS A 25 -10.415 -8.677 -4.664 1.00 0.00 C ATOM 245 NZ LYS A 25 -11.221 -7.547 -4.207 1.00 0.00 N ATOM 0 H LYS A 25 -5.889 -10.432 -3.348 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.215 -10.986 -6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.308 -8.556 -4.269 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.520 -8.344 -5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.441 -9.884 -5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.186 -10.261 -4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.657 -7.923 -3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.778 -7.453 -5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.719 -8.974 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.573 -9.538 -4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.226 -7.814 -4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.935 -7.284 -3.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.077 -6.738 -4.844 1.00 0.00 H new ATOM 250 N ALA A 26 -3.496 -9.311 -5.420 1.00 0.00 N ATOM 251 CA ALA A 26 -2.156 -8.906 -5.904 1.00 0.00 C ATOM 252 C ALA A 26 -1.197 -10.061 -6.246 1.00 0.00 C ATOM 253 O ALA A 26 -0.103 -9.835 -6.774 1.00 0.00 O ATOM 254 CB ALA A 26 -1.489 -7.996 -4.863 1.00 0.00 C ATOM 0 H ALA A 26 -3.624 -9.144 -4.422 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.340 -8.388 -6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.503 -7.698 -5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.103 -7.109 -4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.387 -8.535 -3.921 1.00 0.00 H new ATOM 256 N GLY A 27 -1.568 -11.292 -5.869 1.00 0.00 N ATOM 257 CA GLY A 27 -0.743 -12.503 -6.016 1.00 0.00 C ATOM 258 C GLY A 27 0.482 -12.591 -5.087 1.00 0.00 C ATOM 259 O GLY A 27 1.459 -13.265 -5.394 1.00 0.00 O ATOM 0 H GLY A 27 -2.475 -11.480 -5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.374 -13.374 -5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.399 -12.563 -7.048 1.00 0.00 H new ATOM 261 N VAL A 28 0.366 -11.992 -3.905 1.00 0.00 N ATOM 262 CA VAL A 28 1.414 -12.021 -2.864 1.00 0.00 C ATOM 263 C VAL A 28 0.894 -12.533 -1.511 1.00 0.00 C ATOM 264 O VAL A 28 -0.297 -12.772 -1.295 1.00 0.00 O ATOM 265 CB VAL A 28 2.091 -10.652 -2.671 1.00 0.00 C ATOM 266 CG1 VAL A 28 3.180 -10.429 -3.714 1.00 0.00 C ATOM 267 CG2 VAL A 28 1.145 -9.461 -2.565 1.00 0.00 C ATOM 0 H VAL A 28 -0.463 -11.465 -3.631 1.00 0.00 H new ATOM 0 HA VAL A 28 2.159 -12.726 -3.233 1.00 0.00 H new ATOM 0 HB VAL A 28 2.552 -10.703 -1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.642 -9.455 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.936 -11.209 -3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.741 -10.464 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.724 -8.547 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.552 -9.385 -3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.481 -9.598 -1.711 1.00 0.00 H new ATOM 269 N LYS A 29 1.827 -12.625 -0.580 1.00 0.00 N ATOM 270 CA LYS A 29 1.539 -12.956 0.821 1.00 0.00 C ATOM 271 C LYS A 29 1.590 -11.679 1.646 1.00 0.00 C ATOM 272 O LYS A 29 2.501 -10.862 1.508 1.00 0.00 O ATOM 273 CB LYS A 29 2.590 -13.966 1.269 1.00 0.00 C ATOM 274 CG LYS A 29 2.130 -14.644 2.552 1.00 0.00 C ATOM 275 CD LYS A 29 3.121 -15.730 2.944 1.00 0.00 C ATOM 276 CE LYS A 29 2.583 -16.476 4.157 1.00 0.00 C ATOM 277 NZ LYS A 29 2.895 -15.708 5.370 1.00 0.00 N ATOM 0 H LYS A 29 2.818 -12.472 -0.768 1.00 0.00 H new ATOM 0 HA LYS A 29 0.547 -13.390 0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.750 -14.710 0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.544 -13.465 1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.046 -13.909 3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.139 -15.076 2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.272 -16.420 2.114 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.092 -15.290 3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.506 -16.614 4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.028 -17.469 4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.530 -16.212 6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.926 -15.598 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.450 -14.770 5.311 1.00 0.00 H new ATOM 282 N GLN A 30 0.658 -11.592 2.581 1.00 0.00 N ATOM 283 CA GLN A 30 0.416 -10.380 3.391 1.00 0.00 C ATOM 284 C GLN A 30 1.656 -9.662 3.966 1.00 0.00 C ATOM 285 O GLN A 30 1.742 -8.451 3.804 1.00 0.00 O ATOM 286 CB GLN A 30 -0.602 -10.691 4.493 1.00 0.00 C ATOM 287 CG GLN A 30 -1.193 -9.388 5.013 1.00 0.00 C ATOM 288 CD GLN A 30 -2.130 -9.586 6.207 1.00 0.00 C ATOM 289 OE1 GLN A 30 -3.351 -9.599 6.093 1.00 0.00 O ATOM 290 NE2 GLN A 30 -1.579 -9.585 7.388 1.00 0.00 N ATOM 0 H GLN A 30 0.033 -12.364 2.812 1.00 0.00 H new ATOM 0 HA GLN A 30 0.021 -9.652 2.682 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.392 -11.333 4.103 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.121 -11.236 5.306 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.383 -8.719 5.302 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.740 -8.897 4.208 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.563 -9.574 7.477 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.164 -9.595 8.224 1.00 0.00 H new ATOM 292 N GLN A 31 2.663 -10.410 4.440 1.00 0.00 N ATOM 293 CA GLN A 31 3.910 -9.825 4.985 1.00 0.00 C ATOM 294 C GLN A 31 4.616 -8.798 4.069 1.00 0.00 C ATOM 295 O GLN A 31 4.946 -7.707 4.511 1.00 0.00 O ATOM 296 CB GLN A 31 4.895 -10.873 5.522 1.00 0.00 C ATOM 297 CG GLN A 31 5.133 -12.132 4.666 1.00 0.00 C ATOM 298 CD GLN A 31 5.666 -11.864 3.261 1.00 0.00 C ATOM 299 OE1 GLN A 31 4.926 -11.873 2.287 1.00 0.00 O ATOM 300 NE2 GLN A 31 6.957 -11.668 3.139 1.00 0.00 N ATOM 0 H GLN A 31 2.643 -11.430 4.459 1.00 0.00 H new ATOM 0 HA GLN A 31 3.552 -9.247 5.837 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.857 -10.383 5.674 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.542 -11.195 6.502 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.837 -12.780 5.188 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.195 -12.680 4.584 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.553 -11.665 3.967 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.365 -11.518 2.216 1.00 0.00 H new ATOM 302 N SER A 32 4.494 -9.052 2.763 1.00 0.00 N ATOM 303 CA SER A 32 5.084 -8.228 1.685 1.00 0.00 C ATOM 304 C SER A 32 4.522 -6.801 1.692 1.00 0.00 C ATOM 305 O SER A 32 5.260 -5.817 1.730 1.00 0.00 O ATOM 306 CB SER A 32 4.734 -8.893 0.340 1.00 0.00 C ATOM 307 OG SER A 32 5.314 -10.200 0.252 1.00 0.00 O ATOM 0 H SER A 32 3.971 -9.853 2.410 1.00 0.00 H new ATOM 0 HA SER A 32 6.162 -8.165 1.837 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.651 -8.963 0.235 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.095 -8.274 -0.482 1.00 0.00 H new ATOM 0 HG SER A 32 5.280 -10.633 1.131 1.00 0.00 H new ATOM 310 N ILE A 33 3.200 -6.735 1.835 1.00 0.00 N ATOM 311 CA ILE A 33 2.411 -5.488 1.848 1.00 0.00 C ATOM 312 C ILE A 33 2.488 -4.800 3.229 1.00 0.00 C ATOM 313 O ILE A 33 2.470 -3.566 3.319 1.00 0.00 O ATOM 314 CB ILE A 33 0.950 -5.745 1.439 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.899 -6.601 0.165 1.00 0.00 C ATOM 316 CG2 ILE A 33 0.249 -4.398 1.187 1.00 0.00 C ATOM 317 CD1 ILE A 33 -0.475 -7.154 -0.128 1.00 0.00 C ATOM 0 H ILE A 33 2.623 -7.569 1.949 1.00 0.00 H new ATOM 0 HA ILE A 33 2.846 -4.813 1.110 1.00 0.00 H new ATOM 0 HB ILE A 33 0.442 -6.280 2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.229 -6.000 -0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.603 -7.428 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.787 -4.575 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.273 -3.799 2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.763 -3.864 0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.441 -7.749 -1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.799 -7.782 0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.178 -6.331 -0.257 1.00 0.00 H new ATOM 319 N GLN A 34 2.617 -5.587 4.296 1.00 0.00 N ATOM 320 CA GLN A 34 2.793 -5.041 5.667 1.00 0.00 C ATOM 321 C GLN A 34 4.063 -4.195 5.775 1.00 0.00 C ATOM 322 O GLN A 34 4.063 -3.177 6.455 1.00 0.00 O ATOM 323 CB GLN A 34 2.891 -6.107 6.752 1.00 0.00 C ATOM 324 CG GLN A 34 1.732 -7.103 6.694 1.00 0.00 C ATOM 325 CD GLN A 34 1.488 -7.727 8.071 1.00 0.00 C ATOM 326 OE1 GLN A 34 1.496 -8.937 8.244 1.00 0.00 O ATOM 327 NE2 GLN A 34 1.058 -6.894 8.991 1.00 0.00 N ATOM 0 H GLN A 34 2.605 -6.606 4.251 1.00 0.00 H new ATOM 0 HA GLN A 34 1.894 -4.446 5.829 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.834 -6.644 6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.905 -5.626 7.730 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.828 -6.598 6.352 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.954 -7.885 5.968 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.065 -5.890 8.813 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.717 -7.251 9.883 1.00 0.00 H new ATOM 329 N LEU A 35 5.118 -4.661 5.126 1.00 0.00 N ATOM 330 CA LEU A 35 6.366 -3.895 4.944 1.00 0.00 C ATOM 331 C LEU A 35 6.169 -2.486 4.356 1.00 0.00 C ATOM 332 O LEU A 35 6.844 -1.544 4.766 1.00 0.00 O ATOM 333 CB LEU A 35 7.298 -4.742 4.085 1.00 0.00 C ATOM 334 CG LEU A 35 7.940 -5.858 4.909 1.00 0.00 C ATOM 335 CD1 LEU A 35 8.599 -6.858 3.970 1.00 0.00 C ATOM 336 CD2 LEU A 35 8.948 -5.318 5.921 1.00 0.00 C ATOM 0 H LEU A 35 5.144 -5.589 4.703 1.00 0.00 H new ATOM 0 HA LEU A 35 6.799 -3.705 5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.740 -5.174 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.075 -4.111 3.654 1.00 0.00 H new ATOM 0 HG LEU A 35 7.157 -6.354 5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.059 -7.656 4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.847 -7.282 3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.364 -6.353 3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.378 -6.147 6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.741 -4.785 5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.445 -4.636 6.607 1.00 0.00 H new ATOM 338 N ILE A 36 5.246 -2.362 3.408 1.00 0.00 N ATOM 339 CA ILE A 36 4.849 -1.041 2.854 1.00 0.00 C ATOM 340 C ILE A 36 4.130 -0.214 3.929 1.00 0.00 C ATOM 341 O ILE A 36 4.569 0.878 4.257 1.00 0.00 O ATOM 342 CB ILE A 36 3.929 -1.131 1.613 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.302 -2.241 0.599 1.00 0.00 C ATOM 344 CG2 ILE A 36 3.824 0.241 0.927 1.00 0.00 C ATOM 345 CD1 ILE A 36 5.770 -2.289 0.169 1.00 0.00 C ATOM 0 H ILE A 36 4.749 -3.152 2.997 1.00 0.00 H new ATOM 0 HA ILE A 36 5.777 -0.565 2.538 1.00 0.00 H new ATOM 0 HB ILE A 36 2.952 -1.429 1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.039 -3.206 1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.687 -2.114 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.174 0.163 0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.408 0.967 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.815 0.567 0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.915 -3.104 -0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.042 -1.344 -0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.400 -2.453 1.043 1.00 0.00 H new ATOM 347 N GLU A 37 3.076 -0.798 4.492 1.00 0.00 N ATOM 348 CA GLU A 37 2.281 -0.229 5.606 1.00 0.00 C ATOM 349 C GLU A 37 3.150 0.273 6.777 1.00 0.00 C ATOM 350 O GLU A 37 2.905 1.342 7.338 1.00 0.00 O ATOM 351 CB GLU A 37 1.344 -1.346 6.051 1.00 0.00 C ATOM 352 CG GLU A 37 0.354 -0.893 7.134 1.00 0.00 C ATOM 353 CD GLU A 37 -0.471 -2.047 7.704 1.00 0.00 C ATOM 354 OE1 GLU A 37 0.086 -3.168 7.853 1.00 0.00 O ATOM 355 OE2 GLU A 37 -1.654 -1.776 7.989 1.00 0.00 O ATOM 0 H GLU A 37 2.731 -1.708 4.185 1.00 0.00 H new ATOM 0 HA GLU A 37 1.739 0.655 5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.789 -1.714 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.934 -2.180 6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.903 -0.411 7.943 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.318 -0.144 6.715 1.00 0.00 H new ATOM 357 N ALA A 38 4.135 -0.536 7.152 1.00 0.00 N ATOM 358 CA ALA A 38 5.139 -0.244 8.192 1.00 0.00 C ATOM 359 C ALA A 38 6.241 0.752 7.776 1.00 0.00 C ATOM 360 O ALA A 38 7.135 1.051 8.571 1.00 0.00 O ATOM 361 CB ALA A 38 5.731 -1.601 8.623 1.00 0.00 C ATOM 0 H ALA A 38 4.269 -1.454 6.727 1.00 0.00 H new ATOM 0 HA ALA A 38 4.644 0.269 9.017 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.483 -1.441 9.395 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.937 -2.236 9.016 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.192 -2.087 7.763 1.00 0.00 H new ATOM 363 N GLY A 39 6.200 1.242 6.537 1.00 0.00 N ATOM 364 CA GLY A 39 7.139 2.240 5.981 1.00 0.00 C ATOM 365 C GLY A 39 8.606 1.779 5.914 1.00 0.00 C ATOM 366 O GLY A 39 9.517 2.601 5.987 1.00 0.00 O ATOM 0 H GLY A 39 5.492 0.951 5.863 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.811 2.507 4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.085 3.145 6.585 1.00 0.00 H new ATOM 368 N VAL A 40 8.797 0.516 5.536 1.00 0.00 N ATOM 369 CA VAL A 40 10.137 -0.100 5.502 1.00 0.00 C ATOM 370 C VAL A 40 10.610 -0.238 4.043 1.00 0.00 C ATOM 371 O VAL A 40 11.629 0.325 3.640 1.00 0.00 O ATOM 372 CB VAL A 40 10.111 -1.452 6.261 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.448 -2.205 6.189 1.00 0.00 C ATOM 374 CG2 VAL A 40 9.767 -1.246 7.739 1.00 0.00 C ATOM 0 H VAL A 40 8.044 -0.108 5.247 1.00 0.00 H new ATOM 0 HA VAL A 40 10.860 0.537 6.011 1.00 0.00 H new ATOM 0 HB VAL A 40 9.345 -2.049 5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.367 -3.143 6.738 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.692 -2.414 5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.235 -1.593 6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.756 -2.210 8.248 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.515 -0.601 8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.785 -0.780 7.823 1.00 0.00 H new ATOM 376 N THR A 41 9.790 -0.921 3.254 1.00 0.00 N ATOM 377 CA THR A 41 10.097 -1.259 1.850 1.00 0.00 C ATOM 378 C THR A 41 9.794 -0.098 0.898 1.00 0.00 C ATOM 379 O THR A 41 8.807 -0.093 0.158 1.00 0.00 O ATOM 380 CB THR A 41 9.306 -2.529 1.517 1.00 0.00 C ATOM 381 OG1 THR A 41 9.565 -3.497 2.541 1.00 0.00 O ATOM 382 CG2 THR A 41 9.643 -3.138 0.156 1.00 0.00 C ATOM 0 H THR A 41 8.881 -1.264 3.564 1.00 0.00 H new ATOM 0 HA THR A 41 11.164 -1.442 1.720 1.00 0.00 H new ATOM 0 HB THR A 41 8.254 -2.247 1.469 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.500 -4.399 2.163 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.040 -4.032 -0.002 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.430 -2.413 -0.630 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.700 -3.403 0.128 1.00 0.00 H new ATOM 385 N LYS A 42 10.761 0.815 0.846 1.00 0.00 N ATOM 386 CA LYS A 42 10.704 2.041 0.013 1.00 0.00 C ATOM 387 C LYS A 42 10.610 1.824 -1.512 1.00 0.00 C ATOM 388 O LYS A 42 9.962 2.598 -2.224 1.00 0.00 O ATOM 389 CB LYS A 42 11.837 2.995 0.398 1.00 0.00 C ATOM 390 CG LYS A 42 11.537 3.579 1.782 1.00 0.00 C ATOM 391 CD LYS A 42 12.711 4.370 2.358 1.00 0.00 C ATOM 392 CE LYS A 42 12.421 4.856 3.777 1.00 0.00 C ATOM 393 NZ LYS A 42 12.310 3.738 4.722 1.00 0.00 N ATOM 0 H LYS A 42 11.624 0.734 1.384 1.00 0.00 H new ATOM 0 HA LYS A 42 9.744 2.501 0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.790 2.465 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.925 3.794 -0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.665 4.229 1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.280 2.769 2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.604 3.745 2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.924 5.225 1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.215 5.529 4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.495 5.431 3.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.857 3.953 5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.311 3.595 4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.682 2.873 4.281 1.00 0.00 H new ATOM 398 N ARG A 43 11.202 0.734 -2.003 1.00 0.00 N ATOM 399 CA ARG A 43 11.054 0.318 -3.412 1.00 0.00 C ATOM 400 C ARG A 43 10.487 -1.116 -3.486 1.00 0.00 C ATOM 401 O ARG A 43 11.239 -2.080 -3.349 1.00 0.00 O ATOM 402 CB ARG A 43 12.407 0.367 -4.148 1.00 0.00 C ATOM 403 CG ARG A 43 13.055 1.758 -4.202 1.00 0.00 C ATOM 404 CD ARG A 43 12.261 2.723 -5.083 1.00 0.00 C ATOM 405 NE ARG A 43 12.897 4.047 -5.042 1.00 0.00 N ATOM 406 CZ ARG A 43 12.572 5.052 -4.219 1.00 0.00 C ATOM 407 NH1 ARG A 43 11.510 5.015 -3.428 1.00 0.00 N ATOM 408 NH2 ARG A 43 13.248 6.185 -4.281 1.00 0.00 N ATOM 0 H ARG A 43 11.793 0.116 -1.448 1.00 0.00 H new ATOM 0 HA ARG A 43 10.366 1.011 -3.895 1.00 0.00 H new ATOM 0 HB2 ARG A 43 13.096 -0.322 -3.660 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.265 0.007 -5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.128 2.164 -3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.072 1.670 -4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.226 2.354 -6.108 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.231 2.790 -4.733 1.00 0.00 H new ATOM 0 HE ARG A 43 13.656 4.216 -5.702 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.901 4.197 -3.430 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.301 5.805 -2.817 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.010 6.288 -4.951 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.008 6.957 -3.658 1.00 0.00 H new ATOM 411 N PRO A 44 9.155 -1.257 -3.565 1.00 0.00 N ATOM 412 CA PRO A 44 8.543 -2.582 -3.791 1.00 0.00 C ATOM 413 C PRO A 44 8.457 -2.911 -5.284 1.00 0.00 C ATOM 414 O PRO A 44 8.070 -2.095 -6.109 1.00 0.00 O ATOM 415 CB PRO A 44 7.164 -2.492 -3.159 1.00 0.00 C ATOM 416 CG PRO A 44 6.795 -1.007 -3.269 1.00 0.00 C ATOM 417 CD PRO A 44 8.144 -0.277 -3.146 1.00 0.00 C ATOM 0 HA PRO A 44 9.137 -3.384 -3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.444 -3.121 -3.683 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.180 -2.822 -2.120 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.307 -0.786 -4.218 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.106 -0.708 -2.479 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.170 0.610 -3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.319 0.056 -2.123 1.00 0.00 H new ATOM 418 N ARG A 45 8.876 -4.135 -5.600 1.00 0.00 N ATOM 419 CA ARG A 45 8.691 -4.742 -6.931 1.00 0.00 C ATOM 420 C ARG A 45 7.200 -5.014 -7.234 1.00 0.00 C ATOM 421 O ARG A 45 6.676 -4.640 -8.282 1.00 0.00 O ATOM 422 CB ARG A 45 9.529 -6.029 -6.950 1.00 0.00 C ATOM 423 CG ARG A 45 9.803 -6.600 -8.344 1.00 0.00 C ATOM 424 CD ARG A 45 9.006 -7.874 -8.631 1.00 0.00 C ATOM 425 NE ARG A 45 7.601 -7.532 -8.907 1.00 0.00 N ATOM 426 CZ ARG A 45 6.530 -8.293 -8.653 1.00 0.00 C ATOM 427 NH1 ARG A 45 6.615 -9.556 -8.303 1.00 0.00 N ATOM 428 NH2 ARG A 45 5.332 -7.807 -8.927 1.00 0.00 N ATOM 0 H ARG A 45 9.358 -4.744 -4.939 1.00 0.00 H new ATOM 0 HA ARG A 45 9.023 -4.062 -7.715 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.483 -5.831 -6.460 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.017 -6.787 -6.357 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.559 -5.848 -9.094 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.867 -6.813 -8.441 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.436 -8.399 -9.484 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.064 -8.550 -7.778 1.00 0.00 H new ATOM 0 HE ARG A 45 7.426 -6.623 -9.335 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.529 -10.000 -8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.767 -10.093 -8.120 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.239 -6.872 -9.323 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.500 -8.367 -8.743 1.00 0.00 H new ATOM 431 N PHE A 46 6.499 -5.509 -6.219 1.00 0.00 N ATOM 432 CA PHE A 46 5.055 -5.840 -6.281 1.00 0.00 C ATOM 433 C PHE A 46 4.087 -4.650 -6.134 1.00 0.00 C ATOM 434 O PHE A 46 2.875 -4.850 -6.064 1.00 0.00 O ATOM 435 CB PHE A 46 4.683 -6.961 -5.289 1.00 0.00 C ATOM 436 CG PHE A 46 5.377 -6.846 -3.928 1.00 0.00 C ATOM 437 CD1 PHE A 46 4.842 -5.995 -2.944 1.00 0.00 C ATOM 438 CD2 PHE A 46 6.623 -7.485 -3.738 1.00 0.00 C ATOM 439 CE1 PHE A 46 5.568 -5.753 -1.755 1.00 0.00 C ATOM 440 CE2 PHE A 46 7.351 -7.247 -2.562 1.00 0.00 C ATOM 441 CZ PHE A 46 6.819 -6.383 -1.574 1.00 0.00 C ATOM 0 H PHE A 46 6.914 -5.700 -5.307 1.00 0.00 H new ATOM 0 HA PHE A 46 4.918 -6.192 -7.303 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.604 -6.953 -5.137 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.935 -7.924 -5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.880 -5.528 -3.096 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.012 -8.152 -4.493 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.171 -5.095 -0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.310 -7.720 -2.411 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.379 -6.203 -0.668 1.00 0.00 H new ATOM 443 N LEU A 47 4.604 -3.445 -6.351 1.00 0.00 N ATOM 444 CA LEU A 47 3.791 -2.212 -6.301 1.00 0.00 C ATOM 445 C LEU A 47 2.724 -2.155 -7.415 1.00 0.00 C ATOM 446 O LEU A 47 1.607 -1.706 -7.168 1.00 0.00 O ATOM 447 CB LEU A 47 4.683 -0.964 -6.251 1.00 0.00 C ATOM 448 CG LEU A 47 5.142 -0.367 -7.591 1.00 0.00 C ATOM 449 CD1 LEU A 47 5.683 1.040 -7.339 1.00 0.00 C ATOM 450 CD2 LEU A 47 6.179 -1.228 -8.325 1.00 0.00 C ATOM 0 H LEU A 47 5.588 -3.285 -6.565 1.00 0.00 H new ATOM 0 HA LEU A 47 3.224 -2.232 -5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.147 -0.189 -5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.572 -1.209 -5.669 1.00 0.00 H new ATOM 0 HG LEU A 47 4.276 -0.333 -8.252 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.013 1.477 -8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.897 1.660 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.525 0.988 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.456 -0.744 -9.262 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.065 -1.343 -7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.754 -2.209 -8.535 1.00 0.00 H new ATOM 452 N PHE A 48 3.045 -2.755 -8.570 1.00 0.00 N ATOM 453 CA PHE A 48 2.133 -2.904 -9.722 1.00 0.00 C ATOM 454 C PHE A 48 0.900 -3.745 -9.368 1.00 0.00 C ATOM 455 O PHE A 48 -0.237 -3.278 -9.449 1.00 0.00 O ATOM 456 CB PHE A 48 2.967 -3.576 -10.825 1.00 0.00 C ATOM 457 CG PHE A 48 2.298 -3.646 -12.204 1.00 0.00 C ATOM 458 CD1 PHE A 48 1.839 -2.476 -12.857 1.00 0.00 C ATOM 459 CD2 PHE A 48 2.336 -4.888 -12.885 1.00 0.00 C ATOM 460 CE1 PHE A 48 1.428 -2.547 -14.206 1.00 0.00 C ATOM 461 CE2 PHE A 48 1.933 -4.952 -14.235 1.00 0.00 C ATOM 462 CZ PHE A 48 1.491 -3.785 -14.884 1.00 0.00 C ATOM 0 H PHE A 48 3.966 -3.161 -8.737 1.00 0.00 H new ATOM 0 HA PHE A 48 1.744 -1.938 -10.043 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.909 -3.037 -10.924 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.211 -4.589 -10.506 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.804 -1.536 -12.327 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.671 -5.779 -12.374 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.069 -1.664 -14.714 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.964 -5.891 -14.767 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.194 -3.836 -15.921 1.00 0.00 H new ATOM 464 N GLU A 49 1.182 -4.943 -8.870 1.00 0.00 N ATOM 465 CA GLU A 49 0.161 -5.918 -8.399 1.00 0.00 C ATOM 466 C GLU A 49 -0.726 -5.394 -7.265 1.00 0.00 C ATOM 467 O GLU A 49 -1.955 -5.446 -7.399 1.00 0.00 O ATOM 468 CB GLU A 49 0.876 -7.222 -8.029 1.00 0.00 C ATOM 469 CG GLU A 49 1.604 -7.903 -9.196 1.00 0.00 C ATOM 470 CD GLU A 49 0.685 -8.216 -10.393 1.00 0.00 C ATOM 471 OE1 GLU A 49 -0.047 -9.224 -10.308 1.00 0.00 O ATOM 472 OE2 GLU A 49 0.806 -7.460 -11.392 1.00 0.00 O ATOM 0 H GLU A 49 2.138 -5.286 -8.773 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.541 -6.097 -9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.598 -7.014 -7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.145 -7.918 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.418 -7.260 -9.531 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.055 -8.830 -8.842 1.00 0.00 H new ATOM 474 N ILE A 50 -0.137 -4.761 -6.255 1.00 0.00 N ATOM 475 CA ILE A 50 -0.916 -4.095 -5.185 1.00 0.00 C ATOM 476 C ILE A 50 -1.806 -2.978 -5.779 1.00 0.00 C ATOM 477 O ILE A 50 -3.012 -2.991 -5.579 1.00 0.00 O ATOM 478 CB ILE A 50 -0.003 -3.557 -4.063 1.00 0.00 C ATOM 479 CG1 ILE A 50 0.865 -4.681 -3.485 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.849 -2.901 -2.949 1.00 0.00 C ATOM 481 CD1 ILE A 50 1.999 -4.144 -2.607 1.00 0.00 C ATOM 0 H ILE A 50 0.874 -4.688 -6.144 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.567 -4.841 -4.730 1.00 0.00 H new ATOM 0 HB ILE A 50 0.656 -2.801 -4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.241 -5.354 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.287 -5.268 -4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.191 -2.527 -2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.423 -2.074 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.531 -3.639 -2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.586 -4.977 -2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.641 -3.492 -3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.579 -3.580 -1.775 1.00 0.00 H new ATOM 483 N ALA A 51 -1.205 -2.144 -6.637 1.00 0.00 N ATOM 484 CA ALA A 51 -1.919 -1.056 -7.346 1.00 0.00 C ATOM 485 C ALA A 51 -3.113 -1.518 -8.170 1.00 0.00 C ATOM 486 O ALA A 51 -4.179 -0.918 -8.084 1.00 0.00 O ATOM 487 CB ALA A 51 -0.929 -0.301 -8.243 1.00 0.00 C ATOM 0 H ALA A 51 -0.212 -2.198 -6.864 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.328 -0.405 -6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.450 0.500 -8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.133 0.123 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.499 -0.990 -8.970 1.00 0.00 H new ATOM 489 N MET A 52 -2.938 -2.605 -8.921 1.00 0.00 N ATOM 490 CA MET A 52 -4.017 -3.278 -9.661 1.00 0.00 C ATOM 491 C MET A 52 -5.119 -3.832 -8.754 1.00 0.00 C ATOM 492 O MET A 52 -6.256 -3.377 -8.816 1.00 0.00 O ATOM 493 CB MET A 52 -3.380 -4.367 -10.530 1.00 0.00 C ATOM 494 CG MET A 52 -2.741 -3.736 -11.769 1.00 0.00 C ATOM 495 SD MET A 52 -1.751 -4.889 -12.780 1.00 0.00 S ATOM 496 CE MET A 52 -3.032 -5.852 -13.556 1.00 0.00 C ATOM 0 H MET A 52 -2.029 -3.054 -9.037 1.00 0.00 H new ATOM 0 HA MET A 52 -4.527 -2.547 -10.288 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.627 -4.908 -9.957 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.135 -5.094 -10.830 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.528 -3.311 -12.392 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.103 -2.910 -11.453 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.581 -6.601 -14.207 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.628 -6.348 -12.790 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.672 -5.197 -14.147 1.00 0.00 H new ATOM 498 N ALA A 53 -4.690 -4.601 -7.754 1.00 0.00 N ATOM 499 CA ALA A 53 -5.568 -5.261 -6.758 1.00 0.00 C ATOM 500 C ALA A 53 -6.429 -4.285 -5.920 1.00 0.00 C ATOM 501 O ALA A 53 -7.457 -4.672 -5.364 1.00 0.00 O ATOM 502 CB ALA A 53 -4.673 -6.079 -5.837 1.00 0.00 C ATOM 0 H ALA A 53 -3.700 -4.794 -7.600 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.283 -5.878 -7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.284 -6.582 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.132 -6.823 -6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.961 -5.419 -5.341 1.00 0.00 H new ATOM 504 N LEU A 54 -5.918 -3.065 -5.756 1.00 0.00 N ATOM 505 CA LEU A 54 -6.526 -1.985 -4.955 1.00 0.00 C ATOM 506 C LEU A 54 -7.056 -0.799 -5.787 1.00 0.00 C ATOM 507 O LEU A 54 -7.501 0.221 -5.258 1.00 0.00 O ATOM 508 CB LEU A 54 -5.406 -1.546 -4.000 1.00 0.00 C ATOM 509 CG LEU A 54 -5.872 -0.876 -2.708 1.00 0.00 C ATOM 510 CD1 LEU A 54 -6.933 -1.703 -1.961 1.00 0.00 C ATOM 511 CD2 LEU A 54 -4.681 -0.641 -1.794 1.00 0.00 C ATOM 0 H LEU A 54 -5.038 -2.784 -6.190 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.417 -2.346 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.809 -2.420 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.749 -0.857 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.333 0.072 -2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.228 -1.180 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.805 -1.839 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.519 -2.677 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.017 -0.163 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.211 -1.595 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.959 0.004 -2.295 1.00 0.00 H new ATOM 513 N ASN A 55 -7.032 -0.977 -7.111 1.00 0.00 N ATOM 514 CA ASN A 55 -7.549 -0.035 -8.117 1.00 0.00 C ATOM 515 C ASN A 55 -6.968 1.390 -7.984 1.00 0.00 C ATOM 516 O ASN A 55 -7.662 2.408 -7.983 1.00 0.00 O ATOM 517 CB ASN A 55 -9.075 -0.108 -8.031 1.00 0.00 C ATOM 518 CG ASN A 55 -9.736 0.193 -9.371 1.00 0.00 C ATOM 519 OD1 ASN A 55 -9.789 -0.608 -10.278 1.00 0.00 O ATOM 520 ND2 ASN A 55 -10.181 1.416 -9.508 1.00 0.00 N ATOM 0 H ASN A 55 -6.635 -1.817 -7.533 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.222 -0.319 -9.117 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.372 -1.101 -7.695 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.431 0.601 -7.284 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.585 1.715 -10.395 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.124 2.070 -8.727 1.00 0.00 H new ATOM 522 N CYS A 56 -5.639 1.414 -7.905 1.00 0.00 N ATOM 523 CA CYS A 56 -4.829 2.641 -7.790 1.00 0.00 C ATOM 524 C CYS A 56 -3.570 2.585 -8.676 1.00 0.00 C ATOM 525 O CYS A 56 -3.401 1.692 -9.500 1.00 0.00 O ATOM 526 CB CYS A 56 -4.509 2.932 -6.312 1.00 0.00 C ATOM 527 SG CYS A 56 -3.553 1.649 -5.437 1.00 0.00 S ATOM 0 H CYS A 56 -5.075 0.564 -7.919 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.415 3.478 -8.168 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.956 3.870 -6.258 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.448 3.084 -5.780 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.352 2.020 -4.207 1.00 0.00 H new ATOM 529 N ASP A 57 -2.675 3.544 -8.470 1.00 0.00 N ATOM 530 CA ASP A 57 -1.530 3.763 -9.380 1.00 0.00 C ATOM 531 C ASP A 57 -0.205 3.341 -8.714 1.00 0.00 C ATOM 532 O ASP A 57 0.041 3.740 -7.575 1.00 0.00 O ATOM 533 CB ASP A 57 -1.563 5.253 -9.749 1.00 0.00 C ATOM 534 CG ASP A 57 -0.507 5.650 -10.773 1.00 0.00 C ATOM 535 OD1 ASP A 57 0.667 5.747 -10.355 1.00 0.00 O ATOM 536 OD2 ASP A 57 -0.874 5.742 -11.969 1.00 0.00 O ATOM 0 H ASP A 57 -2.710 4.190 -7.682 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.601 3.151 -10.279 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.549 5.500 -10.142 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.422 5.846 -8.845 1.00 0.00 H new