USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 82 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 GLN : amide:sc= -3.53! C(o=-8.2!,f=-6.4!) USER MOD Set 1.2: A 30 GLN : amide:sc= -1.38 K(o=-8.2,f=-1.7) USER MOD Set 1.3: A 34 GLN : amide:sc= -3.27 K(o=-8.2,f=-1.6) USER MOD Set 2.1: A 18 THR OG1 : rot 112:sc= -0.55 USER MOD Set 2.2: A 20 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0386 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.0337 (180deg=-0.378) USER MOD Single : A 17 MET CE :methyl -132:sc= -0.134 (180deg=-1.58) USER MOD Single : A 24 THR OG1 : rot 87:sc= 1.31 USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= -0.143 (180deg=-1.07) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.981! C(o=-0.98!,f=-6.1!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -150:sc= -1.75! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot 15:sc= 0.319 USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 4 4.606 5.993 1.213 1.00 0.00 N ATOM 29 CA LEU A 4 4.356 4.567 0.902 1.00 0.00 C ATOM 30 C LEU A 4 3.229 3.923 1.719 1.00 0.00 C ATOM 31 O LEU A 4 2.190 3.534 1.211 1.00 0.00 O ATOM 32 CB LEU A 4 5.638 3.755 1.138 1.00 0.00 C ATOM 33 CG LEU A 4 6.692 4.016 0.073 1.00 0.00 C ATOM 34 CD1 LEU A 4 7.760 5.000 0.559 1.00 0.00 C ATOM 35 CD2 LEU A 4 7.336 2.686 -0.314 1.00 0.00 C ATOM 0 HA LEU A 4 4.043 4.550 -0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.046 4.002 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.395 2.693 1.152 1.00 0.00 H new ATOM 0 HG LEU A 4 6.209 4.469 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.494 5.160 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.290 5.950 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.257 4.592 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.095 2.858 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.800 2.237 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.573 2.013 -0.705 1.00 0.00 H new ATOM 37 N SER A 5 3.376 4.162 3.017 1.00 0.00 N ATOM 38 CA SER A 5 2.578 3.532 4.068 1.00 0.00 C ATOM 39 C SER A 5 1.204 4.157 4.259 1.00 0.00 C ATOM 40 O SER A 5 0.191 3.533 3.930 1.00 0.00 O ATOM 41 CB SER A 5 3.402 3.622 5.361 1.00 0.00 C ATOM 42 OG SER A 5 3.869 4.958 5.575 1.00 0.00 O ATOM 0 H SER A 5 4.070 4.815 3.379 1.00 0.00 H new ATOM 0 HA SER A 5 2.373 2.500 3.783 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.794 3.305 6.208 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.251 2.940 5.305 1.00 0.00 H new ATOM 0 HG SER A 5 4.390 4.994 6.404 1.00 0.00 H new ATOM 45 N GLU A 6 1.237 5.478 4.401 1.00 0.00 N ATOM 46 CA GLU A 6 0.065 6.332 4.664 1.00 0.00 C ATOM 47 C GLU A 6 -0.955 6.288 3.527 1.00 0.00 C ATOM 48 O GLU A 6 -2.112 5.914 3.726 1.00 0.00 O ATOM 49 CB GLU A 6 0.566 7.753 4.892 1.00 0.00 C ATOM 50 CG GLU A 6 0.751 8.059 6.376 1.00 0.00 C ATOM 51 CD GLU A 6 1.901 7.274 7.011 1.00 0.00 C ATOM 52 OE1 GLU A 6 3.047 7.777 6.923 1.00 0.00 O ATOM 53 OE2 GLU A 6 1.638 6.176 7.559 1.00 0.00 O ATOM 0 H GLU A 6 2.105 6.009 4.335 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.456 5.962 5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.514 7.892 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.141 8.461 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.935 9.126 6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.174 7.831 6.906 1.00 0.00 H new ATOM 55 N ARG A 7 -0.406 6.442 2.322 1.00 0.00 N ATOM 56 CA ARG A 7 -1.143 6.464 1.059 1.00 0.00 C ATOM 57 C ARG A 7 -1.897 5.135 0.804 1.00 0.00 C ATOM 58 O ARG A 7 -3.129 5.106 0.838 1.00 0.00 O ATOM 59 CB ARG A 7 -0.080 6.756 0.014 1.00 0.00 C ATOM 60 CG ARG A 7 -0.589 7.125 -1.383 1.00 0.00 C ATOM 61 CD ARG A 7 -0.853 8.622 -1.513 1.00 0.00 C ATOM 62 NE ARG A 7 -2.152 8.983 -0.923 1.00 0.00 N ATOM 63 CZ ARG A 7 -2.714 10.190 -0.972 1.00 0.00 C ATOM 64 NH1 ARG A 7 -2.200 11.180 -1.697 1.00 0.00 N ATOM 65 NH2 ARG A 7 -3.902 10.357 -0.412 1.00 0.00 N ATOM 0 H ARG A 7 0.599 6.559 2.194 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.933 7.214 1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.544 7.572 0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.562 5.880 -0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.144 6.819 -2.129 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.506 6.575 -1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.058 9.179 -1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.836 8.908 -2.565 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.665 8.248 -0.436 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.349 11.027 -2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.657 12.092 -1.711 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.366 9.571 0.044 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.353 11.271 -0.436 1.00 0.00 H new ATOM 68 N LEU A 8 -1.130 4.050 0.810 1.00 0.00 N ATOM 69 CA LEU A 8 -1.625 2.668 0.603 1.00 0.00 C ATOM 70 C LEU A 8 -2.662 2.235 1.668 1.00 0.00 C ATOM 71 O LEU A 8 -3.758 1.790 1.344 1.00 0.00 O ATOM 72 CB LEU A 8 -0.407 1.747 0.611 1.00 0.00 C ATOM 73 CG LEU A 8 -0.708 0.315 0.153 1.00 0.00 C ATOM 74 CD1 LEU A 8 -0.915 0.264 -1.358 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.477 -0.577 0.494 1.00 0.00 C ATOM 0 H LEU A 8 -0.122 4.094 0.961 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.153 2.612 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.361 2.171 -0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.006 1.716 1.619 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.613 -0.024 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.127 -0.761 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.753 0.905 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.013 0.612 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.269 -1.597 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.368 -0.209 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.644 -0.564 1.571 1.00 0.00 H new ATOM 77 N LYS A 9 -2.305 2.484 2.931 1.00 0.00 N ATOM 78 CA LYS A 9 -3.118 2.092 4.095 1.00 0.00 C ATOM 79 C LYS A 9 -4.549 2.675 4.098 1.00 0.00 C ATOM 80 O LYS A 9 -5.527 1.937 4.142 1.00 0.00 O ATOM 81 CB LYS A 9 -2.357 2.528 5.337 1.00 0.00 C ATOM 82 CG LYS A 9 -2.697 1.647 6.526 1.00 0.00 C ATOM 83 CD LYS A 9 -1.591 1.829 7.566 1.00 0.00 C ATOM 84 CE LYS A 9 -1.792 0.811 8.679 1.00 0.00 C ATOM 85 NZ LYS A 9 -0.602 0.848 9.537 1.00 0.00 N ATOM 0 H LYS A 9 -1.441 2.965 3.180 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.265 1.012 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.285 2.485 5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.598 3.565 5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.665 1.924 6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.768 0.603 6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.613 1.695 7.104 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.616 2.841 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.687 1.046 9.255 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.933 -0.187 8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.710 0.161 10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.239 0.608 8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.491 1.802 9.935 1.00 0.00 H new ATOM 90 N LYS A 10 -4.636 3.998 3.952 1.00 0.00 N ATOM 91 CA LYS A 10 -5.922 4.718 3.939 1.00 0.00 C ATOM 92 C LYS A 10 -6.855 4.305 2.773 1.00 0.00 C ATOM 93 O LYS A 10 -8.055 4.149 2.966 1.00 0.00 O ATOM 94 CB LYS A 10 -5.648 6.226 3.940 1.00 0.00 C ATOM 95 CG LYS A 10 -6.907 7.101 4.139 1.00 0.00 C ATOM 96 CD LYS A 10 -7.637 6.867 5.462 1.00 0.00 C ATOM 97 CE LYS A 10 -6.860 7.382 6.685 1.00 0.00 C ATOM 98 NZ LYS A 10 -7.544 6.939 7.913 1.00 0.00 N ATOM 0 H LYS A 10 -3.823 4.604 3.839 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.467 4.440 4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.933 6.453 4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.176 6.498 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.618 8.150 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.599 6.912 3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.609 7.359 5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.824 5.800 5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.838 7.004 6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.799 8.470 6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.023 7.284 8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.512 7.320 7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.581 5.900 7.934 1.00 0.00 H new ATOM 103 N ARG A 11 -6.248 3.969 1.639 1.00 0.00 N ATOM 104 CA ARG A 11 -6.974 3.582 0.421 1.00 0.00 C ATOM 105 C ARG A 11 -7.663 2.207 0.537 1.00 0.00 C ATOM 106 O ARG A 11 -8.795 2.045 0.078 1.00 0.00 O ATOM 107 CB ARG A 11 -5.980 3.575 -0.742 1.00 0.00 C ATOM 108 CG ARG A 11 -6.643 3.401 -2.108 1.00 0.00 C ATOM 109 CD ARG A 11 -7.329 4.685 -2.589 1.00 0.00 C ATOM 110 NE ARG A 11 -7.835 4.458 -3.955 1.00 0.00 N ATOM 111 CZ ARG A 11 -8.953 4.974 -4.473 1.00 0.00 C ATOM 112 NH1 ARG A 11 -9.614 5.936 -3.850 1.00 0.00 N ATOM 113 NH2 ARG A 11 -9.321 4.655 -5.703 1.00 0.00 N ATOM 0 H ARG A 11 -5.234 3.956 1.532 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.772 4.306 0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.419 4.509 -0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.261 2.770 -0.590 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.892 3.097 -2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.378 2.598 -2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.148 4.951 -1.920 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.626 5.518 -2.578 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.281 3.852 -4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.272 6.296 -2.959 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.466 6.318 -4.261 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.751 4.015 -6.256 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.175 5.049 -6.098 1.00 0.00 H new ATOM 116 N ARG A 12 -7.011 1.281 1.251 1.00 0.00 N ATOM 117 CA ARG A 12 -7.591 -0.025 1.592 1.00 0.00 C ATOM 118 C ARG A 12 -8.992 0.102 2.210 1.00 0.00 C ATOM 119 O ARG A 12 -9.959 -0.425 1.659 1.00 0.00 O ATOM 120 CB ARG A 12 -6.711 -0.802 2.563 1.00 0.00 C ATOM 121 CG ARG A 12 -5.552 -1.497 1.846 1.00 0.00 C ATOM 122 CD ARG A 12 -4.933 -2.627 2.679 1.00 0.00 C ATOM 123 NE ARG A 12 -4.364 -2.197 3.967 1.00 0.00 N ATOM 124 CZ ARG A 12 -4.820 -2.529 5.178 1.00 0.00 C ATOM 125 NH1 ARG A 12 -5.902 -3.267 5.350 1.00 0.00 N ATOM 126 NH2 ARG A 12 -4.222 -2.083 6.272 1.00 0.00 N ATOM 0 H ARG A 12 -6.066 1.416 1.609 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.662 -0.565 0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.316 -0.123 3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.314 -1.545 3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.907 -1.902 0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.783 -0.762 1.610 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.696 -3.382 2.868 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.149 -3.106 2.092 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.546 -1.589 3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.422 -3.606 4.541 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.217 -3.498 6.292 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.404 -1.479 6.196 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.580 -2.344 7.191 1.00 0.00 H new ATOM 129 N ILE A 13 -9.113 1.073 3.120 1.00 0.00 N ATOM 130 CA ILE A 13 -10.351 1.378 3.858 1.00 0.00 C ATOM 131 C ILE A 13 -11.455 1.854 2.879 1.00 0.00 C ATOM 132 O ILE A 13 -12.533 1.269 2.846 1.00 0.00 O ATOM 133 CB ILE A 13 -10.077 2.425 4.954 1.00 0.00 C ATOM 134 CG1 ILE A 13 -8.900 2.001 5.852 1.00 0.00 C ATOM 135 CG2 ILE A 13 -11.333 2.605 5.823 1.00 0.00 C ATOM 136 CD1 ILE A 13 -8.318 3.121 6.719 1.00 0.00 C ATOM 0 H ILE A 13 -8.337 1.685 3.373 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.707 0.471 4.347 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.819 3.364 4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.231 1.192 6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.107 1.599 5.222 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.136 3.346 6.598 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -12.161 2.942 5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.593 1.654 6.288 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.495 2.728 7.316 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.951 3.923 6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.093 3.510 7.380 1.00 0.00 H new ATOM 138 N ALA A 14 -11.105 2.823 2.028 1.00 0.00 N ATOM 139 CA ALA A 14 -11.998 3.345 0.972 1.00 0.00 C ATOM 140 C ALA A 14 -12.538 2.237 0.044 1.00 0.00 C ATOM 141 O ALA A 14 -13.740 2.138 -0.163 1.00 0.00 O ATOM 142 CB ALA A 14 -11.260 4.409 0.167 1.00 0.00 C ATOM 0 H ALA A 14 -10.190 3.274 2.047 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.867 3.785 1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.916 4.796 -0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.962 5.223 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.373 3.970 -0.290 1.00 0.00 H new ATOM 144 N LEU A 15 -11.638 1.336 -0.349 1.00 0.00 N ATOM 145 CA LEU A 15 -11.958 0.156 -1.180 1.00 0.00 C ATOM 146 C LEU A 15 -12.526 -1.052 -0.424 1.00 0.00 C ATOM 147 O LEU A 15 -12.735 -2.111 -1.014 1.00 0.00 O ATOM 148 CB LEU A 15 -10.681 -0.260 -1.942 1.00 0.00 C ATOM 149 CG LEU A 15 -10.568 0.283 -3.382 1.00 0.00 C ATOM 150 CD1 LEU A 15 -11.603 -0.375 -4.304 1.00 0.00 C ATOM 151 CD2 LEU A 15 -10.613 1.813 -3.467 1.00 0.00 C ATOM 0 H LEU A 15 -10.651 1.398 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.761 0.464 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.813 0.077 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.636 -1.349 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.575 0.005 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.500 0.027 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.439 -1.452 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.606 -0.168 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.528 2.122 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.557 2.173 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.786 2.234 -2.895 1.00 0.00 H new ATOM 153 N LYS A 16 -12.818 -0.863 0.874 1.00 0.00 N ATOM 154 CA LYS A 16 -13.315 -1.913 1.811 1.00 0.00 C ATOM 155 C LYS A 16 -12.429 -3.172 1.875 1.00 0.00 C ATOM 156 O LYS A 16 -12.839 -4.230 2.368 1.00 0.00 O ATOM 157 CB LYS A 16 -14.752 -2.285 1.457 1.00 0.00 C ATOM 158 CG LYS A 16 -15.710 -1.119 1.680 1.00 0.00 C ATOM 159 CD LYS A 16 -17.098 -1.514 1.171 1.00 0.00 C ATOM 160 CE LYS A 16 -18.097 -0.363 1.287 1.00 0.00 C ATOM 161 NZ LYS A 16 -17.678 0.746 0.423 1.00 0.00 N ATOM 0 H LYS A 16 -12.716 0.047 1.324 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.274 -1.477 2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.800 -2.600 0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.067 -3.135 2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -15.755 -0.865 2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -15.354 -0.233 1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -17.027 -1.829 0.130 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -17.463 -2.370 1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -19.092 -0.703 1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -18.160 -0.026 2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -18.479 1.393 0.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -16.895 1.261 0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -17.363 0.371 -0.495 1.00 0.00 H new ATOM 166 N MET A 17 -11.132 -2.929 1.694 1.00 0.00 N ATOM 167 CA MET A 17 -10.120 -3.973 1.464 1.00 0.00 C ATOM 168 C MET A 17 -9.189 -4.085 2.672 1.00 0.00 C ATOM 169 O MET A 17 -8.763 -3.105 3.273 1.00 0.00 O ATOM 170 CB MET A 17 -9.373 -3.584 0.197 1.00 0.00 C ATOM 171 CG MET A 17 -8.603 -4.737 -0.433 1.00 0.00 C ATOM 172 SD MET A 17 -7.850 -4.292 -2.049 1.00 0.00 S ATOM 173 CE MET A 17 -9.299 -3.985 -3.036 1.00 0.00 C ATOM 0 H MET A 17 -10.742 -1.986 1.702 1.00 0.00 H new ATOM 0 HA MET A 17 -10.574 -4.956 1.339 1.00 0.00 H new ATOM 0 HB2 MET A 17 -10.085 -3.193 -0.530 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.678 -2.777 0.428 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.819 -5.061 0.251 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.275 -5.584 -0.571 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.210 -4.511 -3.987 1.00 0.00 H new ATOM 0 HE2 MET A 17 -10.182 -4.341 -2.506 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.393 -2.915 -3.221 1.00 0.00 H new ATOM 175 N THR A 18 -8.997 -5.335 3.066 1.00 0.00 N ATOM 176 CA THR A 18 -7.983 -5.710 4.079 1.00 0.00 C ATOM 177 C THR A 18 -6.709 -6.191 3.380 1.00 0.00 C ATOM 178 O THR A 18 -6.737 -6.582 2.211 1.00 0.00 O ATOM 179 CB THR A 18 -8.520 -6.796 5.016 1.00 0.00 C ATOM 180 OG1 THR A 18 -9.059 -7.878 4.253 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.535 -6.234 6.011 1.00 0.00 C ATOM 0 H THR A 18 -9.530 -6.126 2.703 1.00 0.00 H new ATOM 0 HA THR A 18 -7.752 -4.832 4.682 1.00 0.00 H new ATOM 0 HB THR A 18 -7.691 -7.180 5.610 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.496 -8.672 4.368 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.892 -7.035 6.658 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.061 -5.462 6.617 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.376 -5.803 5.468 1.00 0.00 H new ATOM 184 N GLN A 19 -5.579 -6.068 4.067 1.00 0.00 N ATOM 185 CA GLN A 19 -4.295 -6.546 3.515 1.00 0.00 C ATOM 186 C GLN A 19 -4.290 -7.999 3.020 1.00 0.00 C ATOM 187 O GLN A 19 -3.736 -8.256 1.964 1.00 0.00 O ATOM 188 CB GLN A 19 -3.179 -6.388 4.537 1.00 0.00 C ATOM 189 CG GLN A 19 -2.199 -5.322 4.048 1.00 0.00 C ATOM 190 CD GLN A 19 -0.948 -5.281 4.926 1.00 0.00 C ATOM 191 OE1 GLN A 19 -0.093 -6.156 4.897 1.00 0.00 O ATOM 192 NE2 GLN A 19 -0.854 -4.284 5.794 1.00 0.00 N ATOM 0 H GLN A 19 -5.514 -5.649 4.995 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.134 -5.917 2.639 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.593 -6.103 5.504 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.662 -7.337 4.679 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.916 -5.529 3.016 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.685 -4.346 4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.569 -3.557 5.815 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.067 -4.244 6.441 1.00 0.00 H new ATOM 194 N THR A 20 -4.941 -8.896 3.746 1.00 0.00 N ATOM 195 CA THR A 20 -5.137 -10.304 3.334 1.00 0.00 C ATOM 196 C THR A 20 -5.882 -10.431 2.006 1.00 0.00 C ATOM 197 O THR A 20 -5.457 -11.145 1.090 1.00 0.00 O ATOM 198 CB THR A 20 -5.939 -11.026 4.430 1.00 0.00 C ATOM 199 OG1 THR A 20 -7.009 -10.194 4.882 1.00 0.00 O ATOM 200 CG2 THR A 20 -5.040 -11.435 5.593 1.00 0.00 C ATOM 0 H THR A 20 -5.358 -8.677 4.651 1.00 0.00 H new ATOM 0 HA THR A 20 -4.153 -10.752 3.197 1.00 0.00 H new ATOM 0 HB THR A 20 -6.360 -11.937 4.004 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.515 -10.662 5.578 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.635 -11.943 6.352 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.262 -12.107 5.232 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.580 -10.547 6.027 1.00 0.00 H new ATOM 203 N GLU A 21 -6.960 -9.657 1.919 1.00 0.00 N ATOM 204 CA GLU A 21 -7.754 -9.476 0.684 1.00 0.00 C ATOM 205 C GLU A 21 -6.867 -8.991 -0.475 1.00 0.00 C ATOM 206 O GLU A 21 -6.671 -9.702 -1.456 1.00 0.00 O ATOM 207 CB GLU A 21 -8.857 -8.452 0.943 1.00 0.00 C ATOM 208 CG GLU A 21 -10.164 -8.826 0.250 1.00 0.00 C ATOM 209 CD GLU A 21 -11.204 -7.704 0.338 1.00 0.00 C ATOM 210 OE1 GLU A 21 -11.601 -7.396 1.487 1.00 0.00 O ATOM 211 OE2 GLU A 21 -11.547 -7.175 -0.735 1.00 0.00 O ATOM 0 H GLU A 21 -7.321 -9.125 2.711 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.189 -10.436 0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.028 -8.368 2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.530 -7.472 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.966 -9.055 -0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.568 -9.731 0.703 1.00 0.00 H new ATOM 213 N LEU A 22 -6.122 -7.915 -0.201 1.00 0.00 N ATOM 214 CA LEU A 22 -5.202 -7.263 -1.145 1.00 0.00 C ATOM 215 C LEU A 22 -4.071 -8.208 -1.591 1.00 0.00 C ATOM 216 O LEU A 22 -3.833 -8.382 -2.788 1.00 0.00 O ATOM 217 CB LEU A 22 -4.712 -5.999 -0.421 1.00 0.00 C ATOM 218 CG LEU A 22 -3.608 -5.218 -1.134 1.00 0.00 C ATOM 219 CD1 LEU A 22 -3.982 -4.774 -2.544 1.00 0.00 C ATOM 220 CD2 LEU A 22 -3.233 -4.018 -0.268 1.00 0.00 C ATOM 0 H LEU A 22 -6.142 -7.458 0.711 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.689 -6.996 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.563 -5.335 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.351 -6.284 0.567 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.756 -5.886 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.150 -4.226 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.205 -5.649 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.859 -4.129 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.446 -3.447 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.108 -3.383 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.877 -4.366 0.702 1.00 0.00 H new ATOM 222 N ALA A 23 -3.505 -8.933 -0.625 1.00 0.00 N ATOM 223 CA ALA A 23 -2.526 -10.016 -0.804 1.00 0.00 C ATOM 224 C ALA A 23 -2.971 -11.072 -1.823 1.00 0.00 C ATOM 225 O ALA A 23 -2.374 -11.177 -2.888 1.00 0.00 O ATOM 226 CB ALA A 23 -2.258 -10.663 0.561 1.00 0.00 C ATOM 0 H ALA A 23 -3.727 -8.775 0.358 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.613 -9.579 -1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.533 -11.469 0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.862 -9.914 1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.188 -11.066 0.962 1.00 0.00 H new ATOM 228 N THR A 24 -4.167 -11.585 -1.580 1.00 0.00 N ATOM 229 CA THR A 24 -4.848 -12.617 -2.386 1.00 0.00 C ATOM 230 C THR A 24 -5.022 -12.132 -3.833 1.00 0.00 C ATOM 231 O THR A 24 -4.474 -12.707 -4.764 1.00 0.00 O ATOM 232 CB THR A 24 -6.209 -12.922 -1.721 1.00 0.00 C ATOM 233 OG1 THR A 24 -6.020 -13.339 -0.369 1.00 0.00 O ATOM 234 CG2 THR A 24 -7.015 -13.965 -2.494 1.00 0.00 C ATOM 0 H THR A 24 -4.726 -11.287 -0.780 1.00 0.00 H new ATOM 0 HA THR A 24 -4.253 -13.530 -2.424 1.00 0.00 H new ATOM 0 HB THR A 24 -6.787 -11.998 -1.734 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.986 -12.552 0.214 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.962 -14.143 -1.985 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.208 -13.601 -3.503 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.450 -14.896 -2.546 1.00 0.00 H new ATOM 237 N LYS A 25 -5.676 -10.982 -3.948 1.00 0.00 N ATOM 238 CA LYS A 25 -6.002 -10.335 -5.238 1.00 0.00 C ATOM 239 C LYS A 25 -4.747 -10.026 -6.076 1.00 0.00 C ATOM 240 O LYS A 25 -4.671 -10.414 -7.238 1.00 0.00 O ATOM 241 CB LYS A 25 -6.718 -9.030 -4.929 1.00 0.00 C ATOM 242 CG LYS A 25 -8.131 -9.254 -4.373 1.00 0.00 C ATOM 243 CD LYS A 25 -8.609 -7.920 -3.803 1.00 0.00 C ATOM 244 CE LYS A 25 -10.137 -7.863 -3.754 1.00 0.00 C ATOM 245 NZ LYS A 25 -10.627 -7.888 -5.144 1.00 0.00 N ATOM 0 H LYS A 25 -6.006 -10.454 -3.140 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.621 -11.017 -5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.133 -8.460 -4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.779 -8.429 -5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.803 -9.600 -5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.123 -10.022 -3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.204 -7.782 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.230 -7.102 -4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.534 -8.709 -3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.471 -6.958 -3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.516 -7.352 -5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.917 -7.457 -5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.794 -8.872 -5.436 1.00 0.00 H new ATOM 250 N ALA A 26 -3.773 -9.416 -5.426 1.00 0.00 N ATOM 251 CA ALA A 26 -2.464 -9.098 -6.013 1.00 0.00 C ATOM 252 C ALA A 26 -1.574 -10.319 -6.355 1.00 0.00 C ATOM 253 O ALA A 26 -0.561 -10.169 -7.034 1.00 0.00 O ATOM 254 CB ALA A 26 -1.704 -8.171 -5.064 1.00 0.00 C ATOM 0 H ALA A 26 -3.862 -9.117 -4.455 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.680 -8.622 -6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.731 -7.930 -5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.274 -7.253 -4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.565 -8.668 -4.104 1.00 0.00 H new ATOM 256 N GLY A 27 -1.960 -11.506 -5.881 1.00 0.00 N ATOM 257 CA GLY A 27 -1.168 -12.759 -6.020 1.00 0.00 C ATOM 258 C GLY A 27 0.132 -12.759 -5.198 1.00 0.00 C ATOM 259 O GLY A 27 1.150 -13.323 -5.610 1.00 0.00 O ATOM 0 H GLY A 27 -2.840 -11.640 -5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.783 -13.604 -5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.923 -12.910 -7.071 1.00 0.00 H new ATOM 261 N VAL A 28 0.038 -12.202 -3.995 1.00 0.00 N ATOM 262 CA VAL A 28 1.143 -12.062 -3.031 1.00 0.00 C ATOM 263 C VAL A 28 0.703 -12.451 -1.618 1.00 0.00 C ATOM 264 O VAL A 28 -0.478 -12.592 -1.307 1.00 0.00 O ATOM 265 CB VAL A 28 1.767 -10.648 -3.028 1.00 0.00 C ATOM 266 CG1 VAL A 28 2.649 -10.411 -4.251 1.00 0.00 C ATOM 267 CG2 VAL A 28 0.771 -9.492 -2.817 1.00 0.00 C ATOM 0 H VAL A 28 -0.840 -11.819 -3.644 1.00 0.00 H new ATOM 0 HA VAL A 28 1.918 -12.753 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 28 2.398 -10.636 -2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.067 -9.405 -4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.459 -11.141 -4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.052 -10.518 -5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.307 -8.543 -2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.028 -9.501 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.272 -9.613 -1.855 1.00 0.00 H new ATOM 269 N LYS A 29 1.696 -12.491 -0.746 1.00 0.00 N ATOM 270 CA LYS A 29 1.524 -12.801 0.692 1.00 0.00 C ATOM 271 C LYS A 29 1.437 -11.513 1.517 1.00 0.00 C ATOM 272 O LYS A 29 2.170 -10.555 1.297 1.00 0.00 O ATOM 273 CB LYS A 29 2.654 -13.718 1.195 1.00 0.00 C ATOM 274 CG LYS A 29 4.102 -13.231 0.977 1.00 0.00 C ATOM 275 CD LYS A 29 4.625 -13.417 -0.453 1.00 0.00 C ATOM 276 CE LYS A 29 4.715 -14.890 -0.853 1.00 0.00 C ATOM 277 NZ LYS A 29 5.100 -14.986 -2.273 1.00 0.00 N ATOM 0 H LYS A 29 2.665 -12.308 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 29 0.584 -13.339 0.817 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.508 -13.880 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.546 -14.687 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.160 -12.174 1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.759 -13.765 1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.968 -12.894 -1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.610 -12.959 -0.539 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.447 -15.404 -0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.756 -15.382 -0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.162 -15.987 -2.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.386 -14.509 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.024 -14.530 -2.414 1.00 0.00 H new ATOM 282 N GLN A 30 0.573 -11.578 2.529 1.00 0.00 N ATOM 283 CA GLN A 30 0.205 -10.433 3.374 1.00 0.00 C ATOM 284 C GLN A 30 1.387 -9.605 3.924 1.00 0.00 C ATOM 285 O GLN A 30 1.411 -8.388 3.785 1.00 0.00 O ATOM 286 CB GLN A 30 -0.695 -10.937 4.507 1.00 0.00 C ATOM 287 CG GLN A 30 -1.641 -9.816 4.925 1.00 0.00 C ATOM 288 CD GLN A 30 -1.399 -9.328 6.357 1.00 0.00 C ATOM 289 OE1 GLN A 30 -2.242 -9.455 7.235 1.00 0.00 O ATOM 290 NE2 GLN A 30 -0.352 -8.561 6.550 1.00 0.00 N ATOM 0 H GLN A 30 0.098 -12.441 2.793 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.323 -9.728 2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.264 -11.807 4.178 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.090 -11.255 5.356 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.527 -8.978 4.238 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.670 -10.165 4.835 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.348 -8.459 5.815 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.238 -8.067 7.435 1.00 0.00 H new ATOM 292 N GLN A 31 2.383 -10.299 4.477 1.00 0.00 N ATOM 293 CA GLN A 31 3.640 -9.711 4.995 1.00 0.00 C ATOM 294 C GLN A 31 4.395 -8.788 4.023 1.00 0.00 C ATOM 295 O GLN A 31 4.923 -7.756 4.427 1.00 0.00 O ATOM 296 CB GLN A 31 4.595 -10.755 5.591 1.00 0.00 C ATOM 297 CG GLN A 31 4.815 -12.021 4.748 1.00 0.00 C ATOM 298 CD GLN A 31 3.713 -13.057 4.999 1.00 0.00 C ATOM 299 OE1 GLN A 31 2.675 -13.087 4.368 1.00 0.00 O ATOM 300 NE2 GLN A 31 3.884 -13.851 6.041 1.00 0.00 N ATOM 0 H GLN A 31 2.346 -11.313 4.584 1.00 0.00 H new ATOM 0 HA GLN A 31 3.283 -9.066 5.798 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.562 -10.281 5.759 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.213 -11.054 6.567 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.835 -11.757 3.691 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.786 -12.455 4.987 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.758 -13.821 6.567 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.143 -14.494 6.320 1.00 0.00 H new ATOM 302 N SER A 32 4.317 -9.104 2.731 1.00 0.00 N ATOM 303 CA SER A 32 4.917 -8.265 1.666 1.00 0.00 C ATOM 304 C SER A 32 4.372 -6.831 1.620 1.00 0.00 C ATOM 305 O SER A 32 5.129 -5.871 1.672 1.00 0.00 O ATOM 306 CB SER A 32 4.718 -8.992 0.339 1.00 0.00 C ATOM 307 OG SER A 32 5.587 -10.129 0.347 1.00 0.00 O ATOM 0 H SER A 32 3.843 -9.938 2.384 1.00 0.00 H new ATOM 0 HA SER A 32 5.978 -8.136 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.680 -9.302 0.222 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.951 -8.335 -0.499 1.00 0.00 H new ATOM 0 HG SER A 32 5.486 -10.624 -0.493 1.00 0.00 H new ATOM 310 N ILE A 33 3.054 -6.704 1.798 1.00 0.00 N ATOM 311 CA ILE A 33 2.361 -5.394 1.762 1.00 0.00 C ATOM 312 C ILE A 33 2.598 -4.589 3.059 1.00 0.00 C ATOM 313 O ILE A 33 2.685 -3.362 3.035 1.00 0.00 O ATOM 314 CB ILE A 33 0.861 -5.601 1.481 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.685 -6.580 0.318 1.00 0.00 C ATOM 316 CG2 ILE A 33 0.206 -4.250 1.143 1.00 0.00 C ATOM 317 CD1 ILE A 33 -0.723 -7.161 0.277 1.00 0.00 C ATOM 0 H ILE A 33 2.433 -7.494 1.971 1.00 0.00 H new ATOM 0 HA ILE A 33 2.782 -4.802 0.950 1.00 0.00 H new ATOM 0 HB ILE A 33 0.379 -6.015 2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.895 -6.070 -0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.410 -7.389 0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.855 -4.400 0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.325 -3.567 1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.684 -3.825 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.808 -7.851 -0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.924 -7.694 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.446 -6.354 0.158 1.00 0.00 H new ATOM 319 N GLN A 34 2.772 -5.314 4.173 1.00 0.00 N ATOM 320 CA GLN A 34 3.223 -4.724 5.450 1.00 0.00 C ATOM 321 C GLN A 34 4.552 -3.968 5.296 1.00 0.00 C ATOM 322 O GLN A 34 4.667 -2.870 5.827 1.00 0.00 O ATOM 323 CB GLN A 34 3.505 -5.786 6.523 1.00 0.00 C ATOM 324 CG GLN A 34 2.308 -6.657 6.879 1.00 0.00 C ATOM 325 CD GLN A 34 1.490 -6.085 8.038 1.00 0.00 C ATOM 326 OE1 GLN A 34 1.977 -5.871 9.139 1.00 0.00 O ATOM 327 NE2 GLN A 34 0.200 -5.905 7.864 1.00 0.00 N ATOM 0 H GLN A 34 2.607 -6.319 4.219 1.00 0.00 H new ATOM 0 HA GLN A 34 2.405 -4.065 5.743 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.315 -6.428 6.177 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.857 -5.287 7.426 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.667 -6.763 6.004 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.655 -7.656 7.142 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.221 -6.079 6.951 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.381 -5.591 8.642 1.00 0.00 H new ATOM 329 N LEU A 35 5.479 -4.465 4.490 1.00 0.00 N ATOM 330 CA LEU A 35 6.783 -3.810 4.275 1.00 0.00 C ATOM 331 C LEU A 35 6.705 -2.367 3.715 1.00 0.00 C ATOM 332 O LEU A 35 7.467 -1.488 4.108 1.00 0.00 O ATOM 333 CB LEU A 35 7.636 -4.723 3.400 1.00 0.00 C ATOM 334 CG LEU A 35 8.183 -5.866 4.262 1.00 0.00 C ATOM 335 CD1 LEU A 35 8.530 -7.067 3.392 1.00 0.00 C ATOM 336 CD2 LEU A 35 9.378 -5.410 5.098 1.00 0.00 C ATOM 0 H LEU A 35 5.360 -5.330 3.963 1.00 0.00 H new ATOM 0 HA LEU A 35 7.247 -3.672 5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.041 -5.122 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.457 -4.160 2.955 1.00 0.00 H new ATOM 0 HG LEU A 35 7.404 -6.171 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.917 -7.870 4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.635 -7.411 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.286 -6.780 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.742 -6.244 5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.173 -5.064 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.073 -4.596 5.756 1.00 0.00 H new ATOM 338 N ILE A 36 5.656 -2.149 2.918 1.00 0.00 N ATOM 339 CA ILE A 36 5.266 -0.822 2.398 1.00 0.00 C ATOM 340 C ILE A 36 4.555 -0.027 3.504 1.00 0.00 C ATOM 341 O ILE A 36 4.960 1.062 3.867 1.00 0.00 O ATOM 342 CB ILE A 36 4.278 -0.949 1.214 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.675 -2.095 0.264 1.00 0.00 C ATOM 344 CG2 ILE A 36 4.119 0.414 0.529 1.00 0.00 C ATOM 345 CD1 ILE A 36 3.688 -2.358 -0.877 1.00 0.00 C ATOM 0 H ILE A 36 5.038 -2.899 2.606 1.00 0.00 H new ATOM 0 HA ILE A 36 6.175 -0.320 2.065 1.00 0.00 H new ATOM 0 HB ILE A 36 3.293 -1.231 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.652 -1.870 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.786 -3.009 0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.423 0.323 -0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.734 1.139 1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.087 0.750 0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.053 -3.181 -1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.714 -2.618 -0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.594 -1.462 -1.490 1.00 0.00 H new ATOM 347 N GLU A 37 3.522 -0.674 4.046 1.00 0.00 N ATOM 348 CA GLU A 37 2.626 -0.127 5.086 1.00 0.00 C ATOM 349 C GLU A 37 3.254 0.176 6.459 1.00 0.00 C ATOM 350 O GLU A 37 2.658 0.881 7.274 1.00 0.00 O ATOM 351 CB GLU A 37 1.409 -1.036 5.149 1.00 0.00 C ATOM 352 CG GLU A 37 0.289 -0.340 4.371 1.00 0.00 C ATOM 353 CD GLU A 37 -0.888 -1.274 4.133 1.00 0.00 C ATOM 354 OE1 GLU A 37 -1.608 -1.535 5.124 1.00 0.00 O ATOM 355 OE2 GLU A 37 -1.045 -1.728 2.980 1.00 0.00 O ATOM 0 H GLU A 37 3.272 -1.623 3.770 1.00 0.00 H new ATOM 0 HA GLU A 37 2.346 0.883 4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.633 -2.010 4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.110 -1.209 6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.047 0.538 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.674 0.013 3.414 1.00 0.00 H new ATOM 357 N ALA A 38 4.422 -0.398 6.687 1.00 0.00 N ATOM 358 CA ALA A 38 5.301 -0.101 7.841 1.00 0.00 C ATOM 359 C ALA A 38 6.327 1.011 7.542 1.00 0.00 C ATOM 360 O ALA A 38 6.876 1.600 8.471 1.00 0.00 O ATOM 361 CB ALA A 38 5.964 -1.424 8.239 1.00 0.00 C ATOM 0 H ALA A 38 4.811 -1.107 6.065 1.00 0.00 H new ATOM 0 HA ALA A 38 4.715 0.297 8.670 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.625 -1.258 9.089 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.196 -2.148 8.512 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.543 -1.808 7.399 1.00 0.00 H new ATOM 363 N GLY A 39 6.473 1.364 6.254 1.00 0.00 N ATOM 364 CA GLY A 39 7.393 2.422 5.754 1.00 0.00 C ATOM 365 C GLY A 39 8.876 2.008 5.695 1.00 0.00 C ATOM 366 O GLY A 39 9.752 2.849 5.843 1.00 0.00 O ATOM 0 H GLY A 39 5.945 0.915 5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.073 2.721 4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.299 3.299 6.395 1.00 0.00 H new ATOM 368 N VAL A 40 9.111 0.758 5.315 1.00 0.00 N ATOM 369 CA VAL A 40 10.464 0.152 5.328 1.00 0.00 C ATOM 370 C VAL A 40 11.048 0.031 3.905 1.00 0.00 C ATOM 371 O VAL A 40 12.173 0.452 3.626 1.00 0.00 O ATOM 372 CB VAL A 40 10.436 -1.225 6.016 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.861 -1.750 6.280 1.00 0.00 C ATOM 374 CG2 VAL A 40 9.704 -1.215 7.370 1.00 0.00 C ATOM 0 H VAL A 40 8.380 0.126 4.988 1.00 0.00 H new ATOM 0 HA VAL A 40 11.114 0.816 5.898 1.00 0.00 H new ATOM 0 HB VAL A 40 9.898 -1.870 5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.806 -2.724 6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.394 -1.847 5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.392 -1.051 6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.721 -2.216 7.800 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.201 -0.520 8.047 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.671 -0.901 7.223 1.00 0.00 H new ATOM 376 N THR A 41 10.240 -0.519 3.007 1.00 0.00 N ATOM 377 CA THR A 41 10.675 -0.929 1.659 1.00 0.00 C ATOM 378 C THR A 41 10.408 0.173 0.618 1.00 0.00 C ATOM 379 O THR A 41 9.381 0.182 -0.054 1.00 0.00 O ATOM 380 CB THR A 41 10.004 -2.263 1.306 1.00 0.00 C ATOM 381 OG1 THR A 41 10.245 -3.202 2.364 1.00 0.00 O ATOM 382 CG2 THR A 41 10.534 -2.862 0.002 1.00 0.00 C ATOM 0 H THR A 41 9.252 -0.699 3.187 1.00 0.00 H new ATOM 0 HA THR A 41 11.755 -1.078 1.650 1.00 0.00 H new ATOM 0 HB THR A 41 8.940 -2.066 1.177 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.269 -4.110 1.996 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.025 -3.805 -0.199 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.350 -2.168 -0.818 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.605 -3.041 0.093 1.00 0.00 H new ATOM 385 N LYS A 42 11.416 1.025 0.493 1.00 0.00 N ATOM 386 CA LYS A 42 11.478 2.197 -0.424 1.00 0.00 C ATOM 387 C LYS A 42 10.763 2.079 -1.781 1.00 0.00 C ATOM 388 O LYS A 42 10.050 2.996 -2.183 1.00 0.00 O ATOM 389 CB LYS A 42 12.947 2.588 -0.629 1.00 0.00 C ATOM 390 CG LYS A 42 13.563 3.059 0.691 1.00 0.00 C ATOM 391 CD LYS A 42 15.019 3.484 0.506 1.00 0.00 C ATOM 392 CE LYS A 42 15.530 4.010 1.846 1.00 0.00 C ATOM 393 NZ LYS A 42 16.903 4.520 1.680 1.00 0.00 N ATOM 0 H LYS A 42 12.266 0.928 1.049 1.00 0.00 H new ATOM 0 HA LYS A 42 10.904 2.971 0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.506 1.736 -1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.019 3.380 -1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.986 3.895 1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.507 2.257 1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.623 2.640 0.172 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.097 4.255 -0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.877 4.803 2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.513 3.215 2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.253 4.879 2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.521 3.752 1.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.905 5.290 0.981 1.00 0.00 H new ATOM 398 N ARG A 43 11.244 1.154 -2.595 1.00 0.00 N ATOM 399 CA ARG A 43 10.526 0.710 -3.799 1.00 0.00 C ATOM 400 C ARG A 43 10.205 -0.785 -3.648 1.00 0.00 C ATOM 401 O ARG A 43 11.127 -1.617 -3.635 1.00 0.00 O ATOM 402 CB ARG A 43 11.327 0.977 -5.072 1.00 0.00 C ATOM 403 CG ARG A 43 10.393 0.944 -6.282 1.00 0.00 C ATOM 404 CD ARG A 43 11.142 0.943 -7.613 1.00 0.00 C ATOM 405 NE ARG A 43 11.930 -0.295 -7.768 1.00 0.00 N ATOM 406 CZ ARG A 43 11.516 -1.457 -8.267 1.00 0.00 C ATOM 407 NH1 ARG A 43 10.242 -1.744 -8.486 1.00 0.00 N ATOM 408 NH2 ARG A 43 12.396 -2.439 -8.423 1.00 0.00 N ATOM 0 H ARG A 43 12.138 0.686 -2.449 1.00 0.00 H new ATOM 0 HA ARG A 43 9.602 1.280 -3.895 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.820 1.947 -5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.111 0.228 -5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.764 0.056 -6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.729 1.808 -6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.432 1.033 -8.435 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.802 1.809 -7.665 1.00 0.00 H new ATOM 0 HE ARG A 43 12.901 -0.256 -7.458 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.520 -1.057 -8.270 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.983 -2.652 -8.871 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.372 -2.296 -8.162 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.096 -3.336 -8.804 1.00 0.00 H new ATOM 411 N PRO A 44 8.939 -1.107 -3.356 1.00 0.00 N ATOM 412 CA PRO A 44 8.523 -2.509 -3.227 1.00 0.00 C ATOM 413 C PRO A 44 8.152 -3.098 -4.590 1.00 0.00 C ATOM 414 O PRO A 44 7.099 -2.797 -5.122 1.00 0.00 O ATOM 415 CB PRO A 44 7.335 -2.419 -2.272 1.00 0.00 C ATOM 416 CG PRO A 44 6.690 -1.073 -2.580 1.00 0.00 C ATOM 417 CD PRO A 44 7.879 -0.187 -2.889 1.00 0.00 C ATOM 0 HA PRO A 44 9.302 -3.174 -2.854 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.635 -3.239 -2.433 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.658 -2.474 -1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.005 -1.138 -3.425 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.116 -0.697 -1.733 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.633 0.550 -3.653 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.198 0.365 -2.005 1.00 0.00 H new ATOM 418 N ARG A 45 9.016 -3.955 -5.136 1.00 0.00 N ATOM 419 CA ARG A 45 8.782 -4.651 -6.421 1.00 0.00 C ATOM 420 C ARG A 45 7.345 -4.982 -6.835 1.00 0.00 C ATOM 421 O ARG A 45 6.884 -4.628 -7.915 1.00 0.00 O ATOM 422 CB ARG A 45 9.524 -5.980 -6.372 1.00 0.00 C ATOM 423 CG ARG A 45 10.879 -5.813 -7.026 1.00 0.00 C ATOM 424 CD ARG A 45 11.635 -7.103 -6.768 1.00 0.00 C ATOM 425 NE ARG A 45 12.909 -6.884 -7.435 1.00 0.00 N ATOM 426 CZ ARG A 45 13.285 -7.407 -8.596 1.00 0.00 C ATOM 427 NH1 ARG A 45 12.561 -8.313 -9.248 1.00 0.00 N ATOM 428 NH2 ARG A 45 14.464 -7.072 -9.069 1.00 0.00 N ATOM 0 H ARG A 45 9.908 -4.194 -4.702 1.00 0.00 H new ATOM 0 HA ARG A 45 9.125 -3.926 -7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.642 -6.307 -5.339 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.950 -6.751 -6.887 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.775 -5.630 -8.095 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.411 -4.959 -6.607 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.766 -7.286 -5.701 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.110 -7.966 -7.178 1.00 0.00 H new ATOM 0 HE ARG A 45 13.576 -6.271 -6.967 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.675 -8.635 -8.858 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.892 -8.686 -10.138 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.059 -6.429 -8.547 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.784 -7.455 -9.958 1.00 0.00 H new ATOM 431 N PHE A 46 6.691 -5.747 -5.965 1.00 0.00 N ATOM 432 CA PHE A 46 5.280 -6.148 -6.089 1.00 0.00 C ATOM 433 C PHE A 46 4.236 -5.019 -6.135 1.00 0.00 C ATOM 434 O PHE A 46 3.055 -5.293 -6.395 1.00 0.00 O ATOM 435 CB PHE A 46 4.925 -7.180 -5.006 1.00 0.00 C ATOM 436 CG PHE A 46 5.608 -6.942 -3.643 1.00 0.00 C ATOM 437 CD1 PHE A 46 5.316 -5.781 -2.901 1.00 0.00 C ATOM 438 CD2 PHE A 46 6.549 -7.886 -3.173 1.00 0.00 C ATOM 439 CE1 PHE A 46 5.949 -5.559 -1.656 1.00 0.00 C ATOM 440 CE2 PHE A 46 7.203 -7.660 -1.949 1.00 0.00 C ATOM 441 CZ PHE A 46 6.880 -6.506 -1.187 1.00 0.00 C ATOM 0 H PHE A 46 7.136 -6.120 -5.126 1.00 0.00 H new ATOM 0 HA PHE A 46 5.216 -6.588 -7.084 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.845 -7.178 -4.861 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.197 -8.172 -5.365 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.608 -5.060 -3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.764 -8.774 -3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.722 -4.678 -1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.945 -8.358 -1.591 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.357 -6.352 -0.230 1.00 0.00 H new ATOM 443 N LEU A 47 4.662 -3.761 -6.004 1.00 0.00 N ATOM 444 CA LEU A 47 3.767 -2.588 -5.979 1.00 0.00 C ATOM 445 C LEU A 47 2.778 -2.498 -7.151 1.00 0.00 C ATOM 446 O LEU A 47 1.621 -2.139 -6.921 1.00 0.00 O ATOM 447 CB LEU A 47 4.549 -1.274 -5.751 1.00 0.00 C ATOM 448 CG LEU A 47 5.206 -0.602 -6.962 1.00 0.00 C ATOM 449 CD1 LEU A 47 5.816 0.732 -6.502 1.00 0.00 C ATOM 450 CD2 LEU A 47 6.281 -1.462 -7.640 1.00 0.00 C ATOM 0 H LEU A 47 5.648 -3.519 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 47 3.125 -2.744 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.866 -0.554 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.330 -1.474 -5.017 1.00 0.00 H new ATOM 0 HG LEU A 47 4.431 -0.450 -7.713 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.289 1.227 -7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.030 1.372 -6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.561 0.544 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.700 -0.920 -8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.073 -1.685 -6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.835 -2.393 -7.990 1.00 0.00 H new ATOM 452 N PHE A 48 3.169 -2.999 -8.326 1.00 0.00 N ATOM 453 CA PHE A 48 2.288 -3.067 -9.506 1.00 0.00 C ATOM 454 C PHE A 48 1.017 -3.915 -9.276 1.00 0.00 C ATOM 455 O PHE A 48 -0.100 -3.419 -9.404 1.00 0.00 O ATOM 456 CB PHE A 48 3.069 -3.623 -10.690 1.00 0.00 C ATOM 457 CG PHE A 48 2.816 -2.820 -11.966 1.00 0.00 C ATOM 458 CD1 PHE A 48 1.557 -2.879 -12.620 1.00 0.00 C ATOM 459 CD2 PHE A 48 3.888 -2.095 -12.539 1.00 0.00 C ATOM 460 CE1 PHE A 48 1.378 -2.238 -13.863 1.00 0.00 C ATOM 461 CE2 PHE A 48 3.709 -1.453 -13.782 1.00 0.00 C ATOM 462 CZ PHE A 48 2.456 -1.533 -14.431 1.00 0.00 C ATOM 0 H PHE A 48 4.105 -3.370 -8.491 1.00 0.00 H new ATOM 0 HA PHE A 48 1.951 -2.050 -9.708 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.134 -3.613 -10.460 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.788 -4.663 -10.854 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.737 -3.415 -12.165 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.837 -2.034 -12.028 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.427 -2.287 -14.372 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.522 -0.905 -14.234 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.323 -1.042 -15.384 1.00 0.00 H new ATOM 464 N GLU A 49 1.224 -5.135 -8.780 1.00 0.00 N ATOM 465 CA GLU A 49 0.148 -6.101 -8.478 1.00 0.00 C ATOM 466 C GLU A 49 -0.790 -5.599 -7.378 1.00 0.00 C ATOM 467 O GLU A 49 -2.012 -5.622 -7.531 1.00 0.00 O ATOM 468 CB GLU A 49 0.748 -7.458 -8.078 1.00 0.00 C ATOM 469 CG GLU A 49 1.378 -8.258 -9.225 1.00 0.00 C ATOM 470 CD GLU A 49 2.674 -7.635 -9.773 1.00 0.00 C ATOM 471 OE1 GLU A 49 3.506 -7.197 -8.950 1.00 0.00 O ATOM 472 OE2 GLU A 49 2.761 -7.518 -11.014 1.00 0.00 O ATOM 0 H GLU A 49 2.156 -5.493 -8.571 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.445 -6.217 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.507 -7.290 -7.314 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.035 -8.063 -7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.590 -9.269 -8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.655 -8.344 -10.036 1.00 0.00 H new ATOM 474 N ILE A 50 -0.167 -5.066 -6.321 1.00 0.00 N ATOM 475 CA ILE A 50 -0.873 -4.413 -5.184 1.00 0.00 C ATOM 476 C ILE A 50 -1.753 -3.241 -5.672 1.00 0.00 C ATOM 477 O ILE A 50 -2.958 -3.261 -5.459 1.00 0.00 O ATOM 478 CB ILE A 50 0.172 -4.026 -4.124 1.00 0.00 C ATOM 479 CG1 ILE A 50 0.917 -5.294 -3.660 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.462 -3.283 -2.941 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.119 -5.024 -2.754 1.00 0.00 C ATOM 0 H ILE A 50 0.848 -5.069 -6.218 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.576 -5.101 -4.714 1.00 0.00 H new ATOM 0 HB ILE A 50 0.886 -3.335 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.216 -5.939 -3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.256 -5.844 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.310 -3.028 -2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.940 -2.371 -3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.208 -3.922 -2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.584 -5.970 -2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.843 -4.406 -3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.788 -4.503 -1.855 1.00 0.00 H new ATOM 483 N ALA A 51 -1.156 -2.378 -6.500 1.00 0.00 N ATOM 484 CA ALA A 51 -1.846 -1.240 -7.119 1.00 0.00 C ATOM 485 C ALA A 51 -3.041 -1.627 -7.997 1.00 0.00 C ATOM 486 O ALA A 51 -4.144 -1.153 -7.756 1.00 0.00 O ATOM 487 CB ALA A 51 -0.834 -0.445 -7.950 1.00 0.00 C ATOM 0 H ALA A 51 -0.173 -2.449 -6.762 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.258 -0.643 -6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.333 0.404 -8.416 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.034 -0.085 -7.303 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.413 -1.088 -8.723 1.00 0.00 H new ATOM 489 N MET A 52 -2.859 -2.588 -8.906 1.00 0.00 N ATOM 490 CA MET A 52 -3.941 -3.054 -9.790 1.00 0.00 C ATOM 491 C MET A 52 -5.105 -3.731 -9.054 1.00 0.00 C ATOM 492 O MET A 52 -6.245 -3.315 -9.204 1.00 0.00 O ATOM 493 CB MET A 52 -3.343 -3.926 -10.885 1.00 0.00 C ATOM 494 CG MET A 52 -2.767 -3.040 -11.987 1.00 0.00 C ATOM 495 SD MET A 52 -4.036 -1.999 -12.803 1.00 0.00 S ATOM 496 CE MET A 52 -3.113 -1.441 -14.224 1.00 0.00 C ATOM 0 H MET A 52 -1.969 -3.064 -9.053 1.00 0.00 H new ATOM 0 HA MET A 52 -4.405 -2.178 -10.243 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.561 -4.563 -10.471 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.107 -4.586 -11.297 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.995 -2.398 -11.563 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.284 -3.668 -12.735 1.00 0.00 H new ATOM 0 HE1 MET A 52 -3.741 -0.791 -14.834 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.234 -0.889 -13.893 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.800 -2.302 -14.815 1.00 0.00 H new ATOM 498 N ALA A 53 -4.745 -4.566 -8.083 1.00 0.00 N ATOM 499 CA ALA A 53 -5.682 -5.231 -7.153 1.00 0.00 C ATOM 500 C ALA A 53 -6.494 -4.212 -6.321 1.00 0.00 C ATOM 501 O ALA A 53 -7.674 -4.411 -6.037 1.00 0.00 O ATOM 502 CB ALA A 53 -4.879 -6.141 -6.240 1.00 0.00 C ATOM 0 H ALA A 53 -3.771 -4.812 -7.908 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.404 -5.808 -7.731 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.551 -6.643 -5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.354 -6.886 -6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.155 -5.548 -5.681 1.00 0.00 H new ATOM 504 N LEU A 54 -5.812 -3.133 -5.918 1.00 0.00 N ATOM 505 CA LEU A 54 -6.386 -1.985 -5.181 1.00 0.00 C ATOM 506 C LEU A 54 -7.109 -0.944 -6.068 1.00 0.00 C ATOM 507 O LEU A 54 -7.820 -0.095 -5.530 1.00 0.00 O ATOM 508 CB LEU A 54 -5.245 -1.330 -4.409 1.00 0.00 C ATOM 509 CG LEU A 54 -5.509 -1.260 -2.908 1.00 0.00 C ATOM 510 CD1 LEU A 54 -4.230 -0.873 -2.178 1.00 0.00 C ATOM 511 CD2 LEU A 54 -6.639 -0.307 -2.523 1.00 0.00 C ATOM 0 H LEU A 54 -4.814 -3.025 -6.098 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.166 -2.366 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.326 -1.888 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.085 -0.322 -4.792 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.836 -2.255 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.423 -0.824 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.459 -1.618 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.891 0.101 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.766 -0.312 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.393 0.702 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.565 -0.630 -2.999 1.00 0.00 H new ATOM 513 N ASN A 55 -7.021 -1.090 -7.388 1.00 0.00 N ATOM 514 CA ASN A 55 -7.502 -0.135 -8.424 1.00 0.00 C ATOM 515 C ASN A 55 -6.829 1.254 -8.388 1.00 0.00 C ATOM 516 O ASN A 55 -7.400 2.294 -8.696 1.00 0.00 O ATOM 517 CB ASN A 55 -9.039 0.012 -8.390 1.00 0.00 C ATOM 518 CG ASN A 55 -9.761 -1.318 -8.636 1.00 0.00 C ATOM 519 OD1 ASN A 55 -10.086 -1.691 -9.748 1.00 0.00 O ATOM 520 ND2 ASN A 55 -10.032 -2.035 -7.577 1.00 0.00 N ATOM 0 H ASN A 55 -6.591 -1.917 -7.802 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.201 -0.586 -9.370 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.341 0.412 -7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.349 0.735 -9.145 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.524 -2.923 -7.675 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.752 -1.706 -6.653 1.00 0.00 H new ATOM 522 N CYS A 56 -5.511 1.178 -8.195 1.00 0.00 N ATOM 523 CA CYS A 56 -4.620 2.323 -7.936 1.00 0.00 C ATOM 524 C CYS A 56 -3.306 2.266 -8.740 1.00 0.00 C ATOM 525 O CYS A 56 -2.989 1.259 -9.374 1.00 0.00 O ATOM 526 CB CYS A 56 -4.330 2.351 -6.435 1.00 0.00 C ATOM 527 SG CYS A 56 -5.767 2.983 -5.519 1.00 0.00 S ATOM 0 H CYS A 56 -5.012 0.289 -8.214 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.121 3.234 -8.262 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.083 1.348 -6.088 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.461 2.979 -6.238 1.00 0.00 H new ATOM 0 HG CYS A 56 -6.814 2.966 -6.289 1.00 0.00 H new ATOM 529 N ASP A 57 -2.486 3.291 -8.536 1.00 0.00 N ATOM 530 CA ASP A 57 -1.259 3.516 -9.314 1.00 0.00 C ATOM 531 C ASP A 57 0.021 3.177 -8.499 1.00 0.00 C ATOM 532 O ASP A 57 0.169 3.661 -7.378 1.00 0.00 O ATOM 533 CB ASP A 57 -1.322 4.985 -9.762 1.00 0.00 C ATOM 534 CG ASP A 57 -0.197 5.471 -10.679 1.00 0.00 C ATOM 535 OD1 ASP A 57 0.975 5.338 -10.258 1.00 0.00 O ATOM 536 OD2 ASP A 57 -0.527 5.997 -11.764 1.00 0.00 O ATOM 0 H ASP A 57 -2.650 3.999 -7.821 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.200 2.853 -10.177 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.271 5.145 -10.273 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.330 5.613 -8.871 1.00 0.00 H new