USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=13 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 30 GLN : amide:sc= 0.166 K(o=0.7,f=-6.5!) USER MOD Set 1.2: A 34 GLN : amide:sc= 0.538 K(o=0.7,f=-6.1!) USER MOD Single : A 5 SER OG : rot -102:sc= 0.072 USER MOD Single : A 9 LYS NZ :NH3+ -118:sc= -0.417 (180deg=-1.71) USER MOD Single : A 10 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0759) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 153:sc= -0.0613 (180deg=-0.53) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 19 GLN : amide:sc= -3.85! C(o=-3.9!,f=-5.6!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 0.0112 (180deg=0.0107) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.54! C(o=-1.5!,f=-3.5!) USER MOD Single : A 32 SER OG : rot -83:sc= 0.0893 USER MOD Single : A 41 THR OG1 : rot -40:sc= -3.35! USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0168) USER MOD Single : A 52 MET CE :methyl 175:sc= 0 (180deg=-0.0202) USER MOD Single : A 55 ASN : amide:sc=-0.000987 X(o=-0.00099,f=0) USER MOD Single : A 56 CYS SG : rot 180:sc= -0.0976 USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 4 4.624 5.968 1.132 1.00 0.00 N ATOM 29 CA LEU A 4 4.322 4.534 0.945 1.00 0.00 C ATOM 30 C LEU A 4 3.162 4.001 1.796 1.00 0.00 C ATOM 31 O LEU A 4 2.039 3.822 1.329 1.00 0.00 O ATOM 32 CB LEU A 4 5.575 3.713 1.256 1.00 0.00 C ATOM 33 CG LEU A 4 6.537 3.782 0.072 1.00 0.00 C ATOM 34 CD1 LEU A 4 7.788 4.608 0.390 1.00 0.00 C ATOM 35 CD2 LEU A 4 6.872 2.364 -0.376 1.00 0.00 C ATOM 0 HA LEU A 4 4.008 4.432 -0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.059 4.096 2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.303 2.677 1.457 1.00 0.00 H new ATOM 0 HG LEU A 4 6.051 4.304 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.442 4.628 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.496 5.626 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.317 4.158 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.559 2.402 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.339 1.823 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.958 1.851 -0.674 1.00 0.00 H new ATOM 37 N SER A 5 3.380 4.166 3.098 1.00 0.00 N ATOM 38 CA SER A 5 2.528 3.602 4.153 1.00 0.00 C ATOM 39 C SER A 5 1.137 4.243 4.260 1.00 0.00 C ATOM 40 O SER A 5 0.133 3.581 4.000 1.00 0.00 O ATOM 41 CB SER A 5 3.326 3.766 5.450 1.00 0.00 C ATOM 42 OG SER A 5 3.898 5.080 5.534 1.00 0.00 O ATOM 0 H SER A 5 4.167 4.704 3.461 1.00 0.00 H new ATOM 0 HA SER A 5 2.304 2.560 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.675 3.592 6.307 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.117 3.017 5.493 1.00 0.00 H new ATOM 0 HG SER A 5 4.850 5.038 5.305 1.00 0.00 H new ATOM 45 N GLU A 6 1.189 5.567 4.250 1.00 0.00 N ATOM 46 CA GLU A 6 0.028 6.472 4.346 1.00 0.00 C ATOM 47 C GLU A 6 -0.883 6.386 3.111 1.00 0.00 C ATOM 48 O GLU A 6 -2.057 6.053 3.224 1.00 0.00 O ATOM 49 CB GLU A 6 0.595 7.884 4.488 1.00 0.00 C ATOM 50 CG GLU A 6 0.118 8.519 5.786 1.00 0.00 C ATOM 51 CD GLU A 6 0.774 9.870 6.057 1.00 0.00 C ATOM 52 OE1 GLU A 6 0.861 10.704 5.124 1.00 0.00 O ATOM 53 OE2 GLU A 6 1.233 10.023 7.213 1.00 0.00 O ATOM 0 H GLU A 6 2.072 6.071 4.172 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.593 6.193 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.684 7.849 4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.283 8.495 3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.964 8.646 5.747 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.330 7.844 6.615 1.00 0.00 H new ATOM 55 N ARG A 7 -0.269 6.555 1.945 1.00 0.00 N ATOM 56 CA ARG A 7 -0.973 6.546 0.653 1.00 0.00 C ATOM 57 C ARG A 7 -1.661 5.200 0.376 1.00 0.00 C ATOM 58 O ARG A 7 -2.871 5.155 0.128 1.00 0.00 O ATOM 59 CB ARG A 7 0.051 6.888 -0.426 1.00 0.00 C ATOM 60 CG ARG A 7 -0.579 7.494 -1.681 1.00 0.00 C ATOM 61 CD ARG A 7 -0.929 8.972 -1.509 1.00 0.00 C ATOM 62 NE ARG A 7 -2.344 9.196 -1.146 1.00 0.00 N ATOM 63 CZ ARG A 7 -3.040 10.295 -1.453 1.00 0.00 C ATOM 64 NH1 ARG A 7 -2.529 11.325 -2.121 1.00 0.00 N ATOM 65 NH2 ARG A 7 -4.314 10.379 -1.091 1.00 0.00 N ATOM 0 H ARG A 7 0.737 6.703 1.861 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.775 7.284 0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.780 7.589 -0.018 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.596 5.985 -0.700 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.110 7.383 -2.519 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.482 6.938 -1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.290 9.403 -0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.710 9.501 -2.437 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.823 8.461 -0.625 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.556 11.302 -2.428 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.110 12.138 -2.327 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.752 9.610 -0.584 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.855 11.213 -1.320 1.00 0.00 H new ATOM 68 N LEU A 8 -0.918 4.119 0.611 1.00 0.00 N ATOM 69 CA LEU A 8 -1.430 2.736 0.463 1.00 0.00 C ATOM 70 C LEU A 8 -2.594 2.452 1.439 1.00 0.00 C ATOM 71 O LEU A 8 -3.684 2.031 1.018 1.00 0.00 O ATOM 72 CB LEU A 8 -0.281 1.762 0.728 1.00 0.00 C ATOM 73 CG LEU A 8 -0.658 0.335 0.359 1.00 0.00 C ATOM 74 CD1 LEU A 8 -0.489 0.113 -1.153 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.254 -0.638 1.108 1.00 0.00 C ATOM 0 H LEU A 8 0.056 4.166 0.910 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.814 2.610 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.594 2.067 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.003 1.804 1.781 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.699 0.163 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.762 -0.912 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.134 0.803 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.549 0.290 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.013 -1.662 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.291 -0.451 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.135 -0.495 2.182 1.00 0.00 H new ATOM 77 N LYS A 9 -2.370 2.750 2.714 1.00 0.00 N ATOM 78 CA LYS A 9 -3.352 2.521 3.787 1.00 0.00 C ATOM 79 C LYS A 9 -4.712 3.196 3.519 1.00 0.00 C ATOM 80 O LYS A 9 -5.742 2.519 3.534 1.00 0.00 O ATOM 81 CB LYS A 9 -2.731 3.038 5.082 1.00 0.00 C ATOM 82 CG LYS A 9 -3.553 2.638 6.302 1.00 0.00 C ATOM 83 CD LYS A 9 -3.076 3.422 7.527 1.00 0.00 C ATOM 84 CE LYS A 9 -4.054 3.258 8.688 1.00 0.00 C ATOM 85 NZ LYS A 9 -5.353 3.862 8.334 1.00 0.00 N ATOM 0 H LYS A 9 -1.496 3.161 3.043 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.571 1.455 3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.719 2.647 5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.650 4.124 5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.610 2.836 6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.455 1.568 6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.088 3.073 7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.978 4.478 7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.185 2.201 8.919 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.653 3.733 9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.564 4.641 8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.312 4.230 7.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.100 3.142 8.400 1.00 0.00 H new ATOM 90 N LYS A 10 -4.681 4.480 3.175 1.00 0.00 N ATOM 91 CA LYS A 10 -5.902 5.256 2.887 1.00 0.00 C ATOM 92 C LYS A 10 -6.802 4.662 1.796 1.00 0.00 C ATOM 93 O LYS A 10 -8.011 4.502 2.008 1.00 0.00 O ATOM 94 CB LYS A 10 -5.578 6.721 2.591 1.00 0.00 C ATOM 95 CG LYS A 10 -4.998 7.430 3.821 1.00 0.00 C ATOM 96 CD LYS A 10 -5.932 7.335 5.036 1.00 0.00 C ATOM 97 CE LYS A 10 -5.293 7.977 6.278 1.00 0.00 C ATOM 98 NZ LYS A 10 -5.327 9.429 6.110 1.00 0.00 N ATOM 0 H LYS A 10 -3.819 5.017 3.086 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.488 5.198 3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.866 6.778 1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.482 7.236 2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.033 6.990 4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.818 8.479 3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.876 7.831 4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.162 6.289 5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.835 7.686 7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.266 7.632 6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.041 9.888 6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.672 9.706 5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.292 9.727 5.861 1.00 0.00 H new ATOM 103 N ARG A 11 -6.164 4.121 0.762 1.00 0.00 N ATOM 104 CA ARG A 11 -6.903 3.428 -0.307 1.00 0.00 C ATOM 105 C ARG A 11 -7.517 2.081 0.115 1.00 0.00 C ATOM 106 O ARG A 11 -8.696 1.844 -0.133 1.00 0.00 O ATOM 107 CB ARG A 11 -5.977 3.279 -1.525 1.00 0.00 C ATOM 108 CG ARG A 11 -6.701 2.839 -2.803 1.00 0.00 C ATOM 109 CD ARG A 11 -7.519 3.963 -3.452 1.00 0.00 C ATOM 110 NE ARG A 11 -8.259 3.428 -4.613 1.00 0.00 N ATOM 111 CZ ARG A 11 -9.581 3.304 -4.708 1.00 0.00 C ATOM 112 NH1 ARG A 11 -10.425 3.800 -3.810 1.00 0.00 N ATOM 113 NH2 ARG A 11 -10.118 2.743 -5.781 1.00 0.00 N ATOM 0 H ARG A 11 -5.152 4.144 0.635 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.767 4.042 -0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.479 4.231 -1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.199 2.553 -1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.967 2.472 -3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.363 2.005 -2.569 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.215 4.386 -2.727 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.859 4.771 -3.769 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.706 3.126 -5.415 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.068 4.305 -2.999 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.430 3.676 -3.932 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.519 2.406 -6.534 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.131 2.648 -5.854 1.00 0.00 H new ATOM 116 N ARG A 12 -6.780 1.339 0.945 1.00 0.00 N ATOM 117 CA ARG A 12 -7.294 0.085 1.563 1.00 0.00 C ATOM 118 C ARG A 12 -8.579 0.295 2.357 1.00 0.00 C ATOM 119 O ARG A 12 -9.550 -0.451 2.191 1.00 0.00 O ATOM 120 CB ARG A 12 -6.230 -0.524 2.474 1.00 0.00 C ATOM 121 CG ARG A 12 -5.371 -1.544 1.734 1.00 0.00 C ATOM 122 CD ARG A 12 -4.189 -2.011 2.589 1.00 0.00 C ATOM 123 NE ARG A 12 -4.669 -2.687 3.812 1.00 0.00 N ATOM 124 CZ ARG A 12 -4.271 -2.420 5.058 1.00 0.00 C ATOM 125 NH1 ARG A 12 -3.383 -1.476 5.338 1.00 0.00 N ATOM 126 NH2 ARG A 12 -4.758 -3.109 6.084 1.00 0.00 N ATOM 0 H ARG A 12 -5.824 1.573 1.213 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.527 -0.594 0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.594 0.268 2.871 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.712 -1.004 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.982 -2.403 1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.000 -1.105 0.808 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.562 -2.692 2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.568 -1.157 2.859 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.366 -3.422 3.694 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.975 -0.920 4.586 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.107 -1.306 6.305 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.442 -3.849 5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.448 -2.898 7.033 1.00 0.00 H new ATOM 129 N ILE A 13 -8.601 1.399 3.108 1.00 0.00 N ATOM 130 CA ILE A 13 -9.764 1.810 3.922 1.00 0.00 C ATOM 131 C ILE A 13 -10.968 2.088 2.999 1.00 0.00 C ATOM 132 O ILE A 13 -12.043 1.541 3.216 1.00 0.00 O ATOM 133 CB ILE A 13 -9.470 3.084 4.736 1.00 0.00 C ATOM 134 CG1 ILE A 13 -8.112 3.121 5.470 1.00 0.00 C ATOM 135 CG2 ILE A 13 -10.607 3.363 5.734 1.00 0.00 C ATOM 136 CD1 ILE A 13 -7.751 1.927 6.353 1.00 0.00 C ATOM 0 H ILE A 13 -7.811 2.041 3.174 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.984 0.997 4.614 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.406 3.870 3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.328 3.234 4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.090 4.017 6.091 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.381 4.267 6.300 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.542 3.499 5.191 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.704 2.521 6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.772 2.091 6.804 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.498 1.816 7.139 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.725 1.021 5.747 1.00 0.00 H new ATOM 138 N ALA A 14 -10.729 2.891 1.965 1.00 0.00 N ATOM 139 CA ALA A 14 -11.750 3.299 0.976 1.00 0.00 C ATOM 140 C ALA A 14 -12.480 2.108 0.333 1.00 0.00 C ATOM 141 O ALA A 14 -13.697 2.132 0.185 1.00 0.00 O ATOM 142 CB ALA A 14 -11.083 4.166 -0.099 1.00 0.00 C ATOM 0 H ALA A 14 -9.808 3.288 1.779 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.514 3.869 1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.828 4.472 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.647 5.050 0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.299 3.593 -0.594 1.00 0.00 H new ATOM 144 N LEU A 15 -11.717 1.064 0.011 1.00 0.00 N ATOM 145 CA LEU A 15 -12.273 -0.197 -0.504 1.00 0.00 C ATOM 146 C LEU A 15 -12.791 -1.199 0.538 1.00 0.00 C ATOM 147 O LEU A 15 -13.428 -2.191 0.184 1.00 0.00 O ATOM 148 CB LEU A 15 -11.246 -0.879 -1.425 1.00 0.00 C ATOM 149 CG LEU A 15 -11.024 -0.089 -2.719 1.00 0.00 C ATOM 150 CD1 LEU A 15 -9.908 -0.753 -3.514 1.00 0.00 C ATOM 151 CD2 LEU A 15 -12.293 0.008 -3.562 1.00 0.00 C ATOM 0 H LEU A 15 -10.701 1.063 0.097 1.00 0.00 H new ATOM 0 HA LEU A 15 -13.168 0.105 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.298 -0.984 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.588 -1.885 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.745 0.931 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.740 -0.200 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.993 -0.757 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.191 -1.778 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.085 0.577 -4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.628 -0.994 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.073 0.510 -2.989 1.00 0.00 H new ATOM 153 N LYS A 16 -12.563 -0.877 1.811 1.00 0.00 N ATOM 154 CA LYS A 16 -12.778 -1.772 2.981 1.00 0.00 C ATOM 155 C LYS A 16 -12.022 -3.098 2.866 1.00 0.00 C ATOM 156 O LYS A 16 -12.352 -4.108 3.491 1.00 0.00 O ATOM 157 CB LYS A 16 -14.274 -1.979 3.204 1.00 0.00 C ATOM 158 CG LYS A 16 -14.851 -0.697 3.776 1.00 0.00 C ATOM 159 CD LYS A 16 -16.362 -0.774 3.856 1.00 0.00 C ATOM 160 CE LYS A 16 -16.863 0.530 4.451 1.00 0.00 C ATOM 161 NZ LYS A 16 -18.311 0.453 4.599 1.00 0.00 N ATOM 0 H LYS A 16 -12.211 0.042 2.081 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.359 -1.280 3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.767 -2.232 2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -14.445 -2.811 3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.439 -0.519 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.558 0.148 3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -16.789 -0.931 2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -16.669 -1.618 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -16.394 0.708 5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -16.593 1.367 3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -18.666 1.342 5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -18.748 0.300 3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -18.554 -0.338 5.229 1.00 0.00 H new ATOM 166 N MET A 17 -10.823 -2.943 2.322 1.00 0.00 N ATOM 167 CA MET A 17 -10.009 -4.064 1.838 1.00 0.00 C ATOM 168 C MET A 17 -8.845 -4.306 2.810 1.00 0.00 C ATOM 169 O MET A 17 -7.955 -3.488 2.990 1.00 0.00 O ATOM 170 CB MET A 17 -9.509 -3.736 0.443 1.00 0.00 C ATOM 171 CG MET A 17 -9.143 -5.006 -0.329 1.00 0.00 C ATOM 172 SD MET A 17 -8.290 -4.645 -1.908 1.00 0.00 S ATOM 173 CE MET A 17 -9.475 -5.298 -3.068 1.00 0.00 C ATOM 0 H MET A 17 -10.379 -2.033 2.200 1.00 0.00 H new ATOM 0 HA MET A 17 -10.601 -4.978 1.789 1.00 0.00 H new ATOM 0 HB2 MET A 17 -10.277 -3.186 -0.101 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.637 -3.085 0.510 1.00 0.00 H new ATOM 0 HG2 MET A 17 -8.502 -5.633 0.291 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.049 -5.578 -0.531 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.383 -4.771 -4.018 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.285 -6.360 -3.223 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.482 -5.163 -2.674 1.00 0.00 H new ATOM 175 N THR A 18 -8.874 -5.519 3.341 1.00 0.00 N ATOM 176 CA THR A 18 -7.829 -5.977 4.277 1.00 0.00 C ATOM 177 C THR A 18 -6.599 -6.367 3.454 1.00 0.00 C ATOM 178 O THR A 18 -6.693 -6.763 2.290 1.00 0.00 O ATOM 179 CB THR A 18 -8.289 -7.198 5.072 1.00 0.00 C ATOM 180 OG1 THR A 18 -8.840 -8.167 4.182 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.257 -6.814 6.199 1.00 0.00 C ATOM 0 H THR A 18 -9.600 -6.209 3.149 1.00 0.00 H new ATOM 0 HA THR A 18 -7.607 -5.174 4.980 1.00 0.00 H new ATOM 0 HB THR A 18 -7.426 -7.644 5.566 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.133 -8.951 4.692 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.560 -7.711 6.740 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.762 -6.126 6.885 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.137 -6.332 5.774 1.00 0.00 H new ATOM 184 N GLN A 19 -5.439 -6.286 4.084 1.00 0.00 N ATOM 185 CA GLN A 19 -4.193 -6.662 3.404 1.00 0.00 C ATOM 186 C GLN A 19 -4.109 -8.111 2.894 1.00 0.00 C ATOM 187 O GLN A 19 -3.502 -8.340 1.861 1.00 0.00 O ATOM 188 CB GLN A 19 -3.027 -6.370 4.315 1.00 0.00 C ATOM 189 CG GLN A 19 -2.294 -5.120 3.856 1.00 0.00 C ATOM 190 CD GLN A 19 -1.292 -4.678 4.924 1.00 0.00 C ATOM 191 OE1 GLN A 19 -1.046 -5.319 5.927 1.00 0.00 O ATOM 192 NE2 GLN A 19 -0.770 -3.489 4.785 1.00 0.00 N ATOM 0 H GLN A 19 -5.325 -5.970 5.047 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.167 -6.056 2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.381 -6.237 5.337 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.342 -7.218 4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.775 -5.317 2.918 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.009 -4.320 3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.968 -2.940 3.949 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.165 -3.110 5.513 1.00 0.00 H new ATOM 194 N THR A 20 -4.630 -9.063 3.667 1.00 0.00 N ATOM 195 CA THR A 20 -4.794 -10.475 3.206 1.00 0.00 C ATOM 196 C THR A 20 -5.714 -10.645 1.983 1.00 0.00 C ATOM 197 O THR A 20 -5.488 -11.504 1.142 1.00 0.00 O ATOM 198 CB THR A 20 -5.206 -11.408 4.370 1.00 0.00 C ATOM 199 OG1 THR A 20 -5.250 -12.763 3.930 1.00 0.00 O ATOM 200 CG2 THR A 20 -6.531 -11.010 5.024 1.00 0.00 C ATOM 0 H THR A 20 -4.952 -8.899 4.621 1.00 0.00 H new ATOM 0 HA THR A 20 -3.807 -10.778 2.857 1.00 0.00 H new ATOM 0 HB THR A 20 -4.441 -11.302 5.139 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.510 -13.341 4.677 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.761 -11.705 5.832 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.449 -10.000 5.426 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.328 -11.041 4.281 1.00 0.00 H new ATOM 203 N GLU A 21 -6.681 -9.732 1.881 1.00 0.00 N ATOM 204 CA GLU A 21 -7.566 -9.604 0.711 1.00 0.00 C ATOM 205 C GLU A 21 -6.785 -9.050 -0.479 1.00 0.00 C ATOM 206 O GLU A 21 -6.815 -9.608 -1.581 1.00 0.00 O ATOM 207 CB GLU A 21 -8.719 -8.651 1.028 1.00 0.00 C ATOM 208 CG GLU A 21 -10.077 -9.343 1.112 1.00 0.00 C ATOM 209 CD GLU A 21 -10.391 -10.082 -0.199 1.00 0.00 C ATOM 210 OE1 GLU A 21 -10.744 -9.383 -1.169 1.00 0.00 O ATOM 211 OE2 GLU A 21 -10.198 -11.314 -0.201 1.00 0.00 O ATOM 0 H GLU A 21 -6.878 -9.051 2.614 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.959 -10.591 0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.516 -8.151 1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.761 -7.877 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.081 -10.048 1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.854 -8.606 1.316 1.00 0.00 H new ATOM 213 N LEU A 22 -6.014 -8.016 -0.198 1.00 0.00 N ATOM 214 CA LEU A 22 -5.136 -7.357 -1.167 1.00 0.00 C ATOM 215 C LEU A 22 -4.045 -8.315 -1.682 1.00 0.00 C ATOM 216 O LEU A 22 -3.948 -8.534 -2.886 1.00 0.00 O ATOM 217 CB LEU A 22 -4.609 -6.102 -0.458 1.00 0.00 C ATOM 218 CG LEU A 22 -3.665 -5.263 -1.304 1.00 0.00 C ATOM 219 CD1 LEU A 22 -4.255 -4.885 -2.657 1.00 0.00 C ATOM 220 CD2 LEU A 22 -3.306 -4.000 -0.532 1.00 0.00 C ATOM 0 H LEU A 22 -5.975 -7.596 0.730 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.658 -7.064 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.456 -5.485 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.093 -6.402 0.454 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.779 -5.865 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.534 -4.287 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.487 -5.790 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.167 -4.307 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.629 -3.389 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.213 -3.434 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.819 -4.272 0.405 1.00 0.00 H new ATOM 222 N ALA A 23 -3.415 -9.004 -0.747 1.00 0.00 N ATOM 223 CA ALA A 23 -2.478 -10.116 -1.003 1.00 0.00 C ATOM 224 C ALA A 23 -3.034 -11.185 -1.951 1.00 0.00 C ATOM 225 O ALA A 23 -2.379 -11.517 -2.942 1.00 0.00 O ATOM 226 CB ALA A 23 -2.127 -10.763 0.339 1.00 0.00 C ATOM 0 H ALA A 23 -3.536 -8.809 0.247 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.601 -9.697 -1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.435 -11.589 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.661 -10.023 0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.035 -11.139 0.810 1.00 0.00 H new ATOM 228 N THR A 24 -4.258 -11.640 -1.675 1.00 0.00 N ATOM 229 CA THR A 24 -5.003 -12.583 -2.536 1.00 0.00 C ATOM 230 C THR A 24 -5.113 -12.063 -3.982 1.00 0.00 C ATOM 231 O THR A 24 -4.643 -12.713 -4.910 1.00 0.00 O ATOM 232 CB THR A 24 -6.395 -12.829 -1.920 1.00 0.00 C ATOM 233 OG1 THR A 24 -6.246 -13.458 -0.646 1.00 0.00 O ATOM 234 CG2 THR A 24 -7.320 -13.678 -2.803 1.00 0.00 C ATOM 0 H THR A 24 -4.773 -11.365 -0.838 1.00 0.00 H new ATOM 0 HA THR A 24 -4.459 -13.526 -2.586 1.00 0.00 H new ATOM 0 HB THR A 24 -6.869 -11.852 -1.823 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.913 -12.805 0.004 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.280 -13.808 -2.304 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.473 -13.176 -3.758 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.865 -14.653 -2.975 1.00 0.00 H new ATOM 237 N LYS A 25 -5.634 -10.844 -4.112 1.00 0.00 N ATOM 238 CA LYS A 25 -5.848 -10.169 -5.405 1.00 0.00 C ATOM 239 C LYS A 25 -4.563 -9.871 -6.195 1.00 0.00 C ATOM 240 O LYS A 25 -4.559 -9.895 -7.424 1.00 0.00 O ATOM 241 CB LYS A 25 -6.610 -8.855 -5.177 1.00 0.00 C ATOM 242 CG LYS A 25 -8.052 -8.922 -5.668 1.00 0.00 C ATOM 243 CD LYS A 25 -8.916 -9.712 -4.694 1.00 0.00 C ATOM 244 CE LYS A 25 -10.358 -9.781 -5.207 1.00 0.00 C ATOM 245 NZ LYS A 25 -11.073 -10.666 -4.284 1.00 0.00 N ATOM 0 H LYS A 25 -5.926 -10.282 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.422 -10.870 -6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.603 -8.615 -4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.092 -8.045 -5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.450 -7.914 -5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.085 -9.389 -6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.516 -10.719 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.893 -9.241 -3.711 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.812 -8.790 -5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.392 -10.169 -6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.073 -10.725 -4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.648 -11.615 -4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.006 -10.287 -3.318 1.00 0.00 H new ATOM 250 N ALA A 26 -3.562 -9.385 -5.464 1.00 0.00 N ATOM 251 CA ALA A 26 -2.217 -9.081 -5.978 1.00 0.00 C ATOM 252 C ALA A 26 -1.358 -10.328 -6.309 1.00 0.00 C ATOM 253 O ALA A 26 -0.310 -10.189 -6.941 1.00 0.00 O ATOM 254 CB ALA A 26 -1.477 -8.233 -4.938 1.00 0.00 C ATOM 0 H ALA A 26 -3.661 -9.184 -4.469 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.359 -8.552 -6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.477 -7.999 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.026 -7.307 -4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.400 -8.789 -4.003 1.00 0.00 H new ATOM 256 N GLY A 27 -1.689 -11.453 -5.673 1.00 0.00 N ATOM 257 CA GLY A 27 -0.920 -12.712 -5.754 1.00 0.00 C ATOM 258 C GLY A 27 0.114 -12.854 -4.614 1.00 0.00 C ATOM 259 O GLY A 27 0.430 -13.964 -4.198 1.00 0.00 O ATOM 0 H GLY A 27 -2.512 -11.524 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.609 -13.556 -5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.405 -12.757 -6.714 1.00 0.00 H new ATOM 261 N VAL A 28 0.568 -11.718 -4.103 1.00 0.00 N ATOM 262 CA VAL A 28 1.645 -11.634 -3.088 1.00 0.00 C ATOM 263 C VAL A 28 1.161 -11.552 -1.629 1.00 0.00 C ATOM 264 O VAL A 28 0.748 -10.500 -1.147 1.00 0.00 O ATOM 265 CB VAL A 28 2.638 -10.505 -3.403 1.00 0.00 C ATOM 266 CG1 VAL A 28 3.533 -10.886 -4.586 1.00 0.00 C ATOM 267 CG2 VAL A 28 1.992 -9.126 -3.655 1.00 0.00 C ATOM 0 H VAL A 28 0.202 -10.806 -4.377 1.00 0.00 H new ATOM 0 HA VAL A 28 2.161 -12.591 -3.164 1.00 0.00 H new ATOM 0 HB VAL A 28 3.234 -10.393 -2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.229 -10.073 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.092 -11.789 -4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.916 -11.067 -5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.770 -8.393 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.313 -9.192 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.436 -8.817 -2.769 1.00 0.00 H new ATOM 269 N LYS A 29 1.595 -12.554 -0.874 1.00 0.00 N ATOM 270 CA LYS A 29 1.145 -12.796 0.505 1.00 0.00 C ATOM 271 C LYS A 29 1.459 -11.632 1.469 1.00 0.00 C ATOM 272 O LYS A 29 2.609 -11.207 1.585 1.00 0.00 O ATOM 273 CB LYS A 29 1.730 -14.136 0.981 1.00 0.00 C ATOM 274 CG LYS A 29 1.135 -14.650 2.307 1.00 0.00 C ATOM 275 CD LYS A 29 -0.396 -14.769 2.256 1.00 0.00 C ATOM 276 CE LYS A 29 -0.929 -15.320 3.573 1.00 0.00 C ATOM 277 NZ LYS A 29 -2.371 -15.035 3.651 1.00 0.00 N ATOM 0 H LYS A 29 2.280 -13.235 -1.201 1.00 0.00 H new ATOM 0 HA LYS A 29 0.057 -12.854 0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.566 -14.886 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.808 -14.028 1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.565 -15.624 2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.417 -13.975 3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.837 -13.792 2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.689 -15.423 1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.752 -16.394 3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.407 -14.863 4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.750 -15.405 4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.525 -14.007 3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.859 -15.491 2.853 1.00 0.00 H new ATOM 282 N GLN A 30 0.436 -11.320 2.265 1.00 0.00 N ATOM 283 CA GLN A 30 0.254 -10.122 3.119 1.00 0.00 C ATOM 284 C GLN A 30 1.512 -9.401 3.623 1.00 0.00 C ATOM 285 O GLN A 30 1.590 -8.173 3.510 1.00 0.00 O ATOM 286 CB GLN A 30 -0.693 -10.477 4.282 1.00 0.00 C ATOM 287 CG GLN A 30 -1.067 -9.220 5.082 1.00 0.00 C ATOM 288 CD GLN A 30 -2.067 -9.457 6.219 1.00 0.00 C ATOM 289 OE1 GLN A 30 -3.277 -9.385 6.066 1.00 0.00 O ATOM 290 NE2 GLN A 30 -1.582 -9.519 7.431 1.00 0.00 N ATOM 0 H GLN A 30 -0.364 -11.949 2.343 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.177 -9.374 2.453 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.596 -10.947 3.892 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.214 -11.203 4.939 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.158 -8.789 5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.484 -8.481 4.398 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.574 -9.579 7.574 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.212 -9.507 8.233 1.00 0.00 H new ATOM 292 N GLN A 31 2.408 -10.157 4.261 1.00 0.00 N ATOM 293 CA GLN A 31 3.694 -9.656 4.809 1.00 0.00 C ATOM 294 C GLN A 31 4.401 -8.664 3.862 1.00 0.00 C ATOM 295 O GLN A 31 4.773 -7.568 4.281 1.00 0.00 O ATOM 296 CB GLN A 31 4.614 -10.856 5.099 1.00 0.00 C ATOM 297 CG GLN A 31 4.191 -11.709 6.305 1.00 0.00 C ATOM 298 CD GLN A 31 2.761 -12.246 6.229 1.00 0.00 C ATOM 299 OE1 GLN A 31 2.333 -12.904 5.280 1.00 0.00 O ATOM 300 NE2 GLN A 31 1.906 -11.708 7.069 1.00 0.00 N ATOM 0 H GLN A 31 2.268 -11.155 4.420 1.00 0.00 H new ATOM 0 HA GLN A 31 3.475 -9.109 5.726 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.649 -11.492 4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.626 -10.489 5.268 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.878 -12.550 6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.294 -11.112 7.211 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.244 -11.160 7.860 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.904 -11.838 6.930 1.00 0.00 H new ATOM 302 N SER A 32 4.283 -8.972 2.572 1.00 0.00 N ATOM 303 CA SER A 32 4.754 -8.145 1.438 1.00 0.00 C ATOM 304 C SER A 32 4.301 -6.675 1.532 1.00 0.00 C ATOM 305 O SER A 32 5.096 -5.770 1.764 1.00 0.00 O ATOM 306 CB SER A 32 4.227 -8.822 0.161 1.00 0.00 C ATOM 307 OG SER A 32 2.789 -8.822 0.123 1.00 0.00 O ATOM 0 H SER A 32 3.840 -9.838 2.265 1.00 0.00 H new ATOM 0 HA SER A 32 5.843 -8.094 1.442 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.616 -8.303 -0.715 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.594 -9.847 0.113 1.00 0.00 H new ATOM 0 HG SER A 32 2.448 -9.574 0.651 1.00 0.00 H new ATOM 310 N ILE A 33 2.984 -6.508 1.543 1.00 0.00 N ATOM 311 CA ILE A 33 2.242 -5.233 1.573 1.00 0.00 C ATOM 312 C ILE A 33 2.379 -4.529 2.942 1.00 0.00 C ATOM 313 O ILE A 33 2.405 -3.301 3.017 1.00 0.00 O ATOM 314 CB ILE A 33 0.780 -5.535 1.191 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.758 -6.204 -0.188 1.00 0.00 C ATOM 316 CG2 ILE A 33 -0.058 -4.252 1.137 1.00 0.00 C ATOM 317 CD1 ILE A 33 -0.423 -7.137 -0.413 1.00 0.00 C ATOM 0 H ILE A 33 2.354 -7.310 1.530 1.00 0.00 H new ATOM 0 HA ILE A 33 2.658 -4.528 0.853 1.00 0.00 H new ATOM 0 HB ILE A 33 0.352 -6.192 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.745 -5.429 -0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.682 -6.768 -0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.084 -4.499 0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.048 -3.769 2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.362 -3.574 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.361 -7.568 -1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.402 -7.936 0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.353 -6.577 -0.316 1.00 0.00 H new ATOM 319 N GLN A 34 2.558 -5.311 4.006 1.00 0.00 N ATOM 320 CA GLN A 34 2.800 -4.767 5.370 1.00 0.00 C ATOM 321 C GLN A 34 4.117 -3.999 5.457 1.00 0.00 C ATOM 322 O GLN A 34 4.153 -2.924 6.041 1.00 0.00 O ATOM 323 CB GLN A 34 2.820 -5.809 6.483 1.00 0.00 C ATOM 324 CG GLN A 34 1.559 -6.670 6.442 1.00 0.00 C ATOM 325 CD GLN A 34 1.326 -7.495 7.703 1.00 0.00 C ATOM 326 OE1 GLN A 34 1.194 -8.710 7.665 1.00 0.00 O ATOM 327 NE2 GLN A 34 1.136 -6.848 8.827 1.00 0.00 N ATOM 0 H GLN A 34 2.542 -6.330 3.964 1.00 0.00 H new ATOM 0 HA GLN A 34 1.943 -4.111 5.526 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.701 -6.442 6.379 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.896 -5.313 7.451 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.696 -6.024 6.279 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.619 -7.343 5.587 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.247 -5.834 8.857 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.878 -7.358 9.672 1.00 0.00 H new ATOM 329 N LEU A 35 5.159 -4.539 4.833 1.00 0.00 N ATOM 330 CA LEU A 35 6.452 -3.839 4.683 1.00 0.00 C ATOM 331 C LEU A 35 6.371 -2.449 4.025 1.00 0.00 C ATOM 332 O LEU A 35 7.144 -1.541 4.346 1.00 0.00 O ATOM 333 CB LEU A 35 7.376 -4.791 3.929 1.00 0.00 C ATOM 334 CG LEU A 35 8.308 -5.526 4.903 1.00 0.00 C ATOM 335 CD1 LEU A 35 7.610 -6.708 5.576 1.00 0.00 C ATOM 336 CD2 LEU A 35 9.524 -6.018 4.130 1.00 0.00 C ATOM 0 H LEU A 35 5.142 -5.469 4.415 1.00 0.00 H new ATOM 0 HA LEU A 35 6.841 -3.604 5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.783 -5.514 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.967 -4.233 3.203 1.00 0.00 H new ATOM 0 HG LEU A 35 8.605 -4.833 5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.304 -7.201 6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.746 -6.350 6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.282 -7.417 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.198 -6.543 4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.203 -6.696 3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.043 -5.167 3.689 1.00 0.00 H new ATOM 338 N ILE A 36 5.356 -2.256 3.191 1.00 0.00 N ATOM 339 CA ILE A 36 5.010 -0.922 2.636 1.00 0.00 C ATOM 340 C ILE A 36 4.298 -0.101 3.726 1.00 0.00 C ATOM 341 O ILE A 36 4.802 0.924 4.160 1.00 0.00 O ATOM 342 CB ILE A 36 4.118 -1.042 1.386 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.712 -2.038 0.382 1.00 0.00 C ATOM 344 CG2 ILE A 36 3.871 0.351 0.778 1.00 0.00 C ATOM 345 CD1 ILE A 36 3.774 -2.414 -0.754 1.00 0.00 C ATOM 0 H ILE A 36 4.743 -3.006 2.872 1.00 0.00 H new ATOM 0 HA ILE A 36 5.928 -0.420 2.329 1.00 0.00 H new ATOM 0 HB ILE A 36 3.146 -1.444 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.622 -1.612 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.001 -2.944 0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.239 0.256 -0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.375 0.986 1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.824 0.799 0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.271 -3.121 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.873 -2.872 -0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.504 -1.519 -1.314 1.00 0.00 H new ATOM 347 N GLU A 37 3.220 -0.673 4.255 1.00 0.00 N ATOM 348 CA GLU A 37 2.339 -0.037 5.252 1.00 0.00 C ATOM 349 C GLU A 37 3.021 0.328 6.580 1.00 0.00 C ATOM 350 O GLU A 37 2.593 1.244 7.282 1.00 0.00 O ATOM 351 CB GLU A 37 1.149 -0.971 5.445 1.00 0.00 C ATOM 352 CG GLU A 37 -0.161 -0.205 5.654 1.00 0.00 C ATOM 353 CD GLU A 37 -0.292 0.303 7.085 1.00 0.00 C ATOM 354 OE1 GLU A 37 -0.389 -0.571 7.972 1.00 0.00 O ATOM 355 OE2 GLU A 37 -0.310 1.539 7.253 1.00 0.00 O ATOM 0 H GLU A 37 2.920 -1.615 4.002 1.00 0.00 H new ATOM 0 HA GLU A 37 2.024 0.935 4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.054 -1.619 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.332 -1.616 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.205 0.637 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.004 -0.854 5.419 1.00 0.00 H new ATOM 357 N ALA A 38 4.093 -0.391 6.904 1.00 0.00 N ATOM 358 CA ALA A 38 4.958 -0.170 8.076 1.00 0.00 C ATOM 359 C ALA A 38 6.141 0.787 7.818 1.00 0.00 C ATOM 360 O ALA A 38 7.004 0.972 8.688 1.00 0.00 O ATOM 361 CB ALA A 38 5.440 -1.553 8.536 1.00 0.00 C ATOM 0 H ALA A 38 4.402 -1.180 6.336 1.00 0.00 H new ATOM 0 HA ALA A 38 4.381 0.334 8.851 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.087 -1.442 9.406 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.580 -2.169 8.800 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.995 -2.032 7.729 1.00 0.00 H new ATOM 363 N GLY A 39 6.191 1.365 6.613 1.00 0.00 N ATOM 364 CA GLY A 39 7.206 2.370 6.206 1.00 0.00 C ATOM 365 C GLY A 39 8.650 1.846 6.286 1.00 0.00 C ATOM 366 O GLY A 39 9.555 2.530 6.758 1.00 0.00 O ATOM 0 H GLY A 39 5.521 1.151 5.874 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.000 2.691 5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.111 3.250 6.842 1.00 0.00 H new ATOM 368 N VAL A 40 8.832 0.647 5.742 1.00 0.00 N ATOM 369 CA VAL A 40 10.119 -0.069 5.756 1.00 0.00 C ATOM 370 C VAL A 40 10.694 -0.102 4.316 1.00 0.00 C ATOM 371 O VAL A 40 11.780 0.405 4.041 1.00 0.00 O ATOM 372 CB VAL A 40 9.896 -1.481 6.350 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.119 -2.387 6.269 1.00 0.00 C ATOM 374 CG2 VAL A 40 9.434 -1.403 7.806 1.00 0.00 C ATOM 0 H VAL A 40 8.087 0.133 5.272 1.00 0.00 H new ATOM 0 HA VAL A 40 10.852 0.438 6.384 1.00 0.00 H new ATOM 0 HB VAL A 40 9.119 -1.926 5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.882 -3.357 6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.406 -2.519 5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.945 -1.934 6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.286 -2.410 8.195 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.191 -0.892 8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.496 -0.851 7.861 1.00 0.00 H new ATOM 376 N THR A 41 9.831 -0.523 3.402 1.00 0.00 N ATOM 377 CA THR A 41 10.188 -0.865 2.010 1.00 0.00 C ATOM 378 C THR A 41 9.946 0.308 1.064 1.00 0.00 C ATOM 379 O THR A 41 8.928 0.395 0.384 1.00 0.00 O ATOM 380 CB THR A 41 9.347 -2.068 1.577 1.00 0.00 C ATOM 381 OG1 THR A 41 9.368 -3.033 2.632 1.00 0.00 O ATOM 382 CG2 THR A 41 9.879 -2.719 0.299 1.00 0.00 C ATOM 0 H THR A 41 8.838 -0.643 3.601 1.00 0.00 H new ATOM 0 HA THR A 41 11.250 -1.104 1.966 1.00 0.00 H new ATOM 0 HB THR A 41 8.335 -1.719 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.268 -3.078 3.016 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.248 -3.567 0.033 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.868 -1.991 -0.512 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.900 -3.063 0.464 1.00 0.00 H new ATOM 385 N LYS A 42 11.051 1.017 0.850 1.00 0.00 N ATOM 386 CA LYS A 42 11.116 2.203 -0.036 1.00 0.00 C ATOM 387 C LYS A 42 10.562 2.017 -1.451 1.00 0.00 C ATOM 388 O LYS A 42 9.962 2.946 -1.991 1.00 0.00 O ATOM 389 CB LYS A 42 12.543 2.713 -0.174 1.00 0.00 C ATOM 390 CG LYS A 42 12.971 3.255 1.182 1.00 0.00 C ATOM 391 CD LYS A 42 13.899 2.260 1.857 1.00 0.00 C ATOM 392 CE LYS A 42 15.311 2.509 1.358 1.00 0.00 C ATOM 393 NZ LYS A 42 16.081 1.764 2.334 1.00 0.00 N ATOM 0 H LYS A 42 11.944 0.791 1.287 1.00 0.00 H new ATOM 0 HA LYS A 42 10.468 2.917 0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.208 1.910 -0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.599 3.493 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.476 4.213 1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.096 3.433 1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.854 2.373 2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.591 1.239 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.462 2.139 0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.566 3.569 1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.086 1.775 2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.968 2.200 3.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.742 0.781 2.366 1.00 0.00 H new ATOM 398 N ARG A 43 11.001 0.943 -2.083 1.00 0.00 N ATOM 399 CA ARG A 43 10.491 0.555 -3.406 1.00 0.00 C ATOM 400 C ARG A 43 10.132 -0.938 -3.427 1.00 0.00 C ATOM 401 O ARG A 43 11.029 -1.780 -3.302 1.00 0.00 O ATOM 402 CB ARG A 43 11.493 0.941 -4.498 1.00 0.00 C ATOM 403 CG ARG A 43 10.754 0.984 -5.832 1.00 0.00 C ATOM 404 CD ARG A 43 11.491 1.821 -6.871 1.00 0.00 C ATOM 405 NE ARG A 43 10.460 2.621 -7.544 1.00 0.00 N ATOM 406 CZ ARG A 43 10.651 3.527 -8.503 1.00 0.00 C ATOM 407 NH1 ARG A 43 11.848 3.849 -8.965 1.00 0.00 N ATOM 408 NH2 ARG A 43 9.600 4.210 -8.949 1.00 0.00 N ATOM 0 H ARG A 43 11.712 0.315 -1.708 1.00 0.00 H new ATOM 0 HA ARG A 43 9.571 1.102 -3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.938 1.912 -4.279 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.308 0.218 -4.538 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.628 -0.031 -6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.756 1.394 -5.679 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.237 2.461 -6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.019 1.186 -7.582 1.00 0.00 H new ATOM 0 HE ARG A 43 9.497 2.467 -7.247 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.680 3.397 -8.586 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.939 4.550 -9.701 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.675 4.035 -8.558 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.720 4.909 -9.682 1.00 0.00 H new ATOM 411 N PRO A 44 8.837 -1.243 -3.356 1.00 0.00 N ATOM 412 CA PRO A 44 8.336 -2.627 -3.494 1.00 0.00 C ATOM 413 C PRO A 44 8.314 -3.063 -4.958 1.00 0.00 C ATOM 414 O PRO A 44 7.641 -2.449 -5.788 1.00 0.00 O ATOM 415 CB PRO A 44 6.936 -2.574 -2.885 1.00 0.00 C ATOM 416 CG PRO A 44 6.473 -1.142 -3.093 1.00 0.00 C ATOM 417 CD PRO A 44 7.750 -0.340 -2.893 1.00 0.00 C ATOM 0 HA PRO A 44 8.969 -3.360 -2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.266 -3.281 -3.374 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.956 -2.833 -1.826 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.054 -0.993 -4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.702 -0.859 -2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.731 0.585 -3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.884 -0.062 -1.848 1.00 0.00 H new ATOM 418 N ARG A 45 8.963 -4.187 -5.265 1.00 0.00 N ATOM 419 CA ARG A 45 8.930 -4.738 -6.642 1.00 0.00 C ATOM 420 C ARG A 45 7.531 -5.200 -7.111 1.00 0.00 C ATOM 421 O ARG A 45 7.195 -5.113 -8.286 1.00 0.00 O ATOM 422 CB ARG A 45 9.984 -5.823 -6.890 1.00 0.00 C ATOM 423 CG ARG A 45 9.768 -7.147 -6.146 1.00 0.00 C ATOM 424 CD ARG A 45 10.894 -7.404 -5.133 1.00 0.00 C ATOM 425 NE ARG A 45 10.555 -6.815 -3.823 1.00 0.00 N ATOM 426 CZ ARG A 45 10.864 -5.599 -3.385 1.00 0.00 C ATOM 427 NH1 ARG A 45 11.765 -4.829 -3.973 1.00 0.00 N ATOM 428 NH2 ARG A 45 10.412 -5.211 -2.202 1.00 0.00 N ATOM 0 H ARG A 45 9.511 -4.733 -4.601 1.00 0.00 H new ATOM 0 HA ARG A 45 9.192 -3.883 -7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.019 -6.031 -7.959 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.960 -5.426 -6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.808 -7.125 -5.629 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.725 -7.967 -6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.056 -8.476 -5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.827 -6.976 -5.501 1.00 0.00 H new ATOM 0 HE ARG A 45 10.025 -7.407 -3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.258 -5.162 -4.802 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.967 -3.902 -3.598 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.837 -5.842 -1.644 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.639 -4.281 -1.849 1.00 0.00 H new ATOM 431 N PHE A 46 6.690 -5.571 -6.146 1.00 0.00 N ATOM 432 CA PHE A 46 5.304 -6.003 -6.402 1.00 0.00 C ATOM 433 C PHE A 46 4.259 -4.875 -6.428 1.00 0.00 C ATOM 434 O PHE A 46 3.055 -5.130 -6.476 1.00 0.00 O ATOM 435 CB PHE A 46 4.877 -7.113 -5.419 1.00 0.00 C ATOM 436 CG PHE A 46 5.489 -7.029 -4.015 1.00 0.00 C ATOM 437 CD1 PHE A 46 5.146 -5.962 -3.160 1.00 0.00 C ATOM 438 CD2 PHE A 46 6.450 -7.993 -3.620 1.00 0.00 C ATOM 439 CE1 PHE A 46 5.759 -5.845 -1.894 1.00 0.00 C ATOM 440 CE2 PHE A 46 7.075 -7.882 -2.358 1.00 0.00 C ATOM 441 CZ PHE A 46 6.719 -6.806 -1.509 1.00 0.00 C ATOM 0 H PHE A 46 6.946 -5.583 -5.159 1.00 0.00 H new ATOM 0 HA PHE A 46 5.325 -6.396 -7.418 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.791 -7.091 -5.324 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.140 -8.078 -5.853 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.413 -5.233 -3.474 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.703 -8.809 -4.281 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.498 -5.034 -1.231 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.813 -8.606 -2.046 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.194 -6.718 -0.543 1.00 0.00 H new ATOM 443 N LEU A 47 4.737 -3.635 -6.640 1.00 0.00 N ATOM 444 CA LEU A 47 3.870 -2.436 -6.583 1.00 0.00 C ATOM 445 C LEU A 47 2.778 -2.387 -7.665 1.00 0.00 C ATOM 446 O LEU A 47 1.653 -2.005 -7.369 1.00 0.00 O ATOM 447 CB LEU A 47 4.693 -1.134 -6.497 1.00 0.00 C ATOM 448 CG LEU A 47 5.296 -0.573 -7.796 1.00 0.00 C ATOM 449 CD1 LEU A 47 5.920 0.784 -7.477 1.00 0.00 C ATOM 450 CD2 LEU A 47 6.335 -1.490 -8.451 1.00 0.00 C ATOM 0 H LEU A 47 5.714 -3.434 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 47 3.314 -2.526 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.054 -0.363 -6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.510 -1.301 -5.795 1.00 0.00 H new ATOM 0 HG LEU A 47 4.489 -0.486 -8.524 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.356 1.206 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.152 1.457 -7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.698 0.659 -6.724 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.711 -1.022 -9.361 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.161 -1.656 -7.760 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.872 -2.445 -8.699 1.00 0.00 H new ATOM 452 N PHE A 48 3.075 -2.968 -8.829 1.00 0.00 N ATOM 453 CA PHE A 48 2.132 -3.090 -9.967 1.00 0.00 C ATOM 454 C PHE A 48 0.934 -3.992 -9.634 1.00 0.00 C ATOM 455 O PHE A 48 -0.218 -3.592 -9.767 1.00 0.00 O ATOM 456 CB PHE A 48 2.913 -3.665 -11.156 1.00 0.00 C ATOM 457 CG PHE A 48 2.499 -3.013 -12.469 1.00 0.00 C ATOM 458 CD1 PHE A 48 1.297 -3.402 -13.103 1.00 0.00 C ATOM 459 CD2 PHE A 48 3.329 -2.017 -13.032 1.00 0.00 C ATOM 460 CE1 PHE A 48 0.910 -2.774 -14.310 1.00 0.00 C ATOM 461 CE2 PHE A 48 2.952 -1.387 -14.239 1.00 0.00 C ATOM 462 CZ PHE A 48 1.738 -1.770 -14.868 1.00 0.00 C ATOM 0 H PHE A 48 3.990 -3.377 -9.021 1.00 0.00 H new ATOM 0 HA PHE A 48 1.724 -2.107 -10.201 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.981 -3.516 -10.996 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.746 -4.741 -11.215 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.678 -4.173 -12.669 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.249 -1.738 -12.541 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.009 -3.058 -14.802 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.579 -0.624 -14.677 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.441 -1.287 -15.787 1.00 0.00 H new ATOM 464 N GLU A 49 1.274 -5.149 -9.055 1.00 0.00 N ATOM 465 CA GLU A 49 0.304 -6.168 -8.584 1.00 0.00 C ATOM 466 C GLU A 49 -0.669 -5.611 -7.532 1.00 0.00 C ATOM 467 O GLU A 49 -1.865 -5.551 -7.786 1.00 0.00 O ATOM 468 CB GLU A 49 1.046 -7.397 -8.029 1.00 0.00 C ATOM 469 CG GLU A 49 1.804 -8.197 -9.085 1.00 0.00 C ATOM 470 CD GLU A 49 3.317 -7.932 -9.021 1.00 0.00 C ATOM 471 OE1 GLU A 49 3.713 -6.817 -9.421 1.00 0.00 O ATOM 472 OE2 GLU A 49 4.032 -8.825 -8.522 1.00 0.00 O ATOM 0 H GLU A 49 2.245 -5.417 -8.894 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.292 -6.465 -9.447 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.749 -7.068 -7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.326 -8.053 -7.540 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.614 -9.261 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.431 -7.938 -10.076 1.00 0.00 H new ATOM 474 N ILE A 50 -0.098 -4.950 -6.522 1.00 0.00 N ATOM 475 CA ILE A 50 -0.862 -4.321 -5.433 1.00 0.00 C ATOM 476 C ILE A 50 -1.735 -3.182 -5.986 1.00 0.00 C ATOM 477 O ILE A 50 -2.938 -3.209 -5.800 1.00 0.00 O ATOM 478 CB ILE A 50 0.071 -3.814 -4.323 1.00 0.00 C ATOM 479 CG1 ILE A 50 0.959 -4.968 -3.831 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.737 -3.215 -3.155 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.187 -4.445 -3.098 1.00 0.00 C ATOM 0 H ILE A 50 0.911 -4.834 -6.433 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.516 -5.073 -4.992 1.00 0.00 H new ATOM 0 HB ILE A 50 0.703 -3.024 -4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.385 -5.615 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.271 -5.577 -4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.053 -2.863 -2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.336 -2.379 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.394 -3.978 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.795 -5.285 -2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.773 -3.819 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.873 -3.857 -2.236 1.00 0.00 H new ATOM 483 N ALA A 51 -1.129 -2.318 -6.788 1.00 0.00 N ATOM 484 CA ALA A 51 -1.826 -1.178 -7.423 1.00 0.00 C ATOM 485 C ALA A 51 -3.093 -1.556 -8.184 1.00 0.00 C ATOM 486 O ALA A 51 -4.165 -1.063 -7.853 1.00 0.00 O ATOM 487 CB ALA A 51 -0.847 -0.470 -8.363 1.00 0.00 C ATOM 0 H ALA A 51 -0.139 -2.377 -7.025 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.156 -0.523 -6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.346 0.374 -8.840 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.009 -0.110 -7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.506 -1.169 -9.127 1.00 0.00 H new ATOM 489 N MET A 52 -2.990 -2.575 -9.040 1.00 0.00 N ATOM 490 CA MET A 52 -4.125 -3.101 -9.816 1.00 0.00 C ATOM 491 C MET A 52 -5.189 -3.761 -8.914 1.00 0.00 C ATOM 492 O MET A 52 -6.362 -3.399 -8.963 1.00 0.00 O ATOM 493 CB MET A 52 -3.595 -4.094 -10.844 1.00 0.00 C ATOM 494 CG MET A 52 -2.792 -3.384 -11.937 1.00 0.00 C ATOM 495 SD MET A 52 -2.072 -4.550 -13.156 1.00 0.00 S ATOM 496 CE MET A 52 -3.520 -4.986 -14.091 1.00 0.00 C ATOM 0 H MET A 52 -2.113 -3.064 -9.218 1.00 0.00 H new ATOM 0 HA MET A 52 -4.619 -2.270 -10.319 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.965 -4.833 -10.349 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.428 -4.635 -11.294 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.439 -2.676 -12.455 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.991 -2.806 -11.476 1.00 0.00 H new ATOM 0 HE1 MET A 52 -3.234 -5.622 -14.929 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.219 -5.523 -13.450 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.996 -4.081 -14.468 1.00 0.00 H new ATOM 498 N ALA A 53 -4.694 -4.565 -7.975 1.00 0.00 N ATOM 499 CA ALA A 53 -5.491 -5.255 -6.929 1.00 0.00 C ATOM 500 C ALA A 53 -6.274 -4.285 -6.012 1.00 0.00 C ATOM 501 O ALA A 53 -7.331 -4.628 -5.487 1.00 0.00 O ATOM 502 CB ALA A 53 -4.525 -6.080 -6.099 1.00 0.00 C ATOM 0 H ALA A 53 -3.697 -4.769 -7.908 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.243 -5.873 -7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.074 -6.604 -5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.023 -6.806 -6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.783 -5.423 -5.644 1.00 0.00 H new ATOM 504 N LEU A 54 -5.646 -3.145 -5.731 1.00 0.00 N ATOM 505 CA LEU A 54 -6.170 -2.057 -4.882 1.00 0.00 C ATOM 506 C LEU A 54 -6.801 -0.899 -5.688 1.00 0.00 C ATOM 507 O LEU A 54 -7.187 0.130 -5.131 1.00 0.00 O ATOM 508 CB LEU A 54 -4.968 -1.591 -4.050 1.00 0.00 C ATOM 509 CG LEU A 54 -5.292 -0.750 -2.808 1.00 0.00 C ATOM 510 CD1 LEU A 54 -6.183 -1.517 -1.824 1.00 0.00 C ATOM 511 CD2 LEU A 54 -4.006 -0.287 -2.135 1.00 0.00 C ATOM 0 H LEU A 54 -4.718 -2.938 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.991 -2.412 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.409 -2.471 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.309 -1.010 -4.695 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.851 0.128 -3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.391 -0.890 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.120 -1.783 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.672 -2.424 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.250 0.309 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.420 -1.155 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.427 0.317 -2.833 1.00 0.00 H new ATOM 513 N ASN A 55 -6.958 -1.099 -6.998 1.00 0.00 N ATOM 514 CA ASN A 55 -7.568 -0.136 -7.941 1.00 0.00 C ATOM 515 C ASN A 55 -6.962 1.283 -7.876 1.00 0.00 C ATOM 516 O ASN A 55 -7.647 2.306 -7.870 1.00 0.00 O ATOM 517 CB ASN A 55 -9.095 -0.111 -7.737 1.00 0.00 C ATOM 518 CG ASN A 55 -9.733 -1.451 -8.080 1.00 0.00 C ATOM 519 OD1 ASN A 55 -10.232 -1.687 -9.166 1.00 0.00 O ATOM 520 ND2 ASN A 55 -9.772 -2.349 -7.122 1.00 0.00 N ATOM 0 H ASN A 55 -6.657 -1.960 -7.455 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.337 -0.488 -8.946 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.319 0.144 -6.701 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.532 0.670 -8.359 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.222 -3.250 -7.285 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.352 -2.146 -6.215 1.00 0.00 H new ATOM 522 N CYS A 56 -5.632 1.301 -7.842 1.00 0.00 N ATOM 523 CA CYS A 56 -4.842 2.535 -7.745 1.00 0.00 C ATOM 524 C CYS A 56 -3.530 2.457 -8.547 1.00 0.00 C ATOM 525 O CYS A 56 -3.222 1.450 -9.184 1.00 0.00 O ATOM 526 CB CYS A 56 -4.595 2.906 -6.274 1.00 0.00 C ATOM 527 SG CYS A 56 -3.549 1.741 -5.341 1.00 0.00 S ATOM 0 H CYS A 56 -5.063 0.455 -7.881 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.426 3.334 -8.200 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.133 3.892 -6.238 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.558 2.987 -5.770 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.413 2.163 -4.119 1.00 0.00 H new ATOM 529 N ASP A 57 -2.718 3.494 -8.386 1.00 0.00 N ATOM 530 CA ASP A 57 -1.535 3.744 -9.237 1.00 0.00 C ATOM 531 C ASP A 57 -0.228 3.273 -8.567 1.00 0.00 C ATOM 532 O ASP A 57 0.025 3.653 -7.425 1.00 0.00 O ATOM 533 CB ASP A 57 -1.577 5.262 -9.520 1.00 0.00 C ATOM 534 CG ASP A 57 -0.475 5.782 -10.434 1.00 0.00 C ATOM 535 OD1 ASP A 57 0.705 5.668 -10.027 1.00 0.00 O ATOM 536 OD2 ASP A 57 -0.806 6.317 -11.509 1.00 0.00 O ATOM 0 H ASP A 57 -2.853 4.197 -7.659 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.558 3.173 -10.165 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.542 5.506 -9.965 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.521 5.794 -8.570 1.00 0.00 H new