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 20 THR OG1 : rot -97:sc= 1.27 USER MOD Set 1.2: A 30 GLN : amide:sc= 1.77 K(o=3.6,f=-1.9) USER MOD Set 1.3: A 34 GLN : amide:sc= 0.562 K(o=3.6,f=-1.9) USER MOD Single : A 5 SER OG : rot 180:sc= 0.00765 USER MOD Single : A 9 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.212) USER MOD Single : A 10 LYS NZ :NH3+ -156:sc= -0.0713 (180deg=-0.578) USER MOD Single : A 16 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.0146) USER MOD Single : A 17 MET CE :methyl 166:sc=-0.00223 (180deg=-0.395) USER MOD Single : A 18 THR OG1 : rot -107:sc= 1.08 USER MOD Single : A 19 GLN :FLIP amide:sc= -4.09! C(o=-12!,f=-4.1!) USER MOD Single : A 24 THR OG1 : rot 83:sc= 0.0358 USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= 0.623 (180deg=0.263) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.26) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00901 USER MOD Single : A 41 THR OG1 : rot -162:sc= -2.08! 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 180:sc= -0.738 USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 4 3.795 5.318 0.101 1.00 0.00 N ATOM 29 CA LEU A 4 4.132 3.898 0.271 1.00 0.00 C ATOM 30 C LEU A 4 3.506 3.254 1.515 1.00 0.00 C ATOM 31 O LEU A 4 2.879 2.205 1.431 1.00 0.00 O ATOM 32 CB LEU A 4 5.657 3.853 0.310 1.00 0.00 C ATOM 33 CG LEU A 4 6.221 4.114 -1.095 1.00 0.00 C ATOM 34 CD1 LEU A 4 7.431 5.030 -1.044 1.00 0.00 C ATOM 35 CD2 LEU A 4 6.454 2.779 -1.801 1.00 0.00 C ATOM 0 HA LEU A 4 3.720 3.310 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.034 4.600 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.992 2.881 0.672 1.00 0.00 H new ATOM 0 HG LEU A 4 5.497 4.661 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.806 5.194 -2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.146 5.985 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.211 4.569 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.854 2.960 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.164 2.183 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.510 2.240 -1.881 1.00 0.00 H new ATOM 37 N SER A 5 3.458 4.039 2.579 1.00 0.00 N ATOM 38 CA SER A 5 2.889 3.551 3.830 1.00 0.00 C ATOM 39 C SER A 5 1.561 4.207 4.197 1.00 0.00 C ATOM 40 O SER A 5 0.494 3.627 3.974 1.00 0.00 O ATOM 41 CB SER A 5 3.927 3.715 4.950 1.00 0.00 C ATOM 42 OG SER A 5 4.498 5.025 4.919 1.00 0.00 O ATOM 0 H SER A 5 3.799 5.000 2.606 1.00 0.00 H new ATOM 0 HA SER A 5 2.652 2.496 3.694 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.457 3.540 5.918 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.712 2.967 4.838 1.00 0.00 H new ATOM 0 HG SER A 5 5.156 5.112 5.640 1.00 0.00 H new ATOM 45 N GLU A 6 1.671 5.525 4.295 1.00 0.00 N ATOM 46 CA GLU A 6 0.608 6.450 4.733 1.00 0.00 C ATOM 47 C GLU A 6 -0.609 6.462 3.798 1.00 0.00 C ATOM 48 O GLU A 6 -1.665 5.935 4.139 1.00 0.00 O ATOM 49 CB GLU A 6 1.223 7.833 4.875 1.00 0.00 C ATOM 50 CG GLU A 6 1.976 7.918 6.214 1.00 0.00 C ATOM 51 CD GLU A 6 2.616 9.289 6.454 1.00 0.00 C ATOM 52 OE1 GLU A 6 3.602 9.597 5.742 1.00 0.00 O ATOM 53 OE2 GLU A 6 2.111 10.014 7.335 1.00 0.00 O ATOM 0 H GLU A 6 2.538 6.010 4.064 1.00 0.00 H new ATOM 0 HA GLU A 6 0.217 6.107 5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.905 8.027 4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.445 8.596 4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.285 7.698 7.028 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.751 7.152 6.238 1.00 0.00 H new ATOM 55 N ARG A 7 -0.363 6.870 2.560 1.00 0.00 N ATOM 56 CA ARG A 7 -1.420 7.059 1.555 1.00 0.00 C ATOM 57 C ARG A 7 -2.024 5.721 1.063 1.00 0.00 C ATOM 58 O ARG A 7 -3.250 5.592 0.971 1.00 0.00 O ATOM 59 CB ARG A 7 -0.797 7.865 0.420 1.00 0.00 C ATOM 60 CG ARG A 7 -1.710 8.971 -0.123 1.00 0.00 C ATOM 61 CD ARG A 7 -1.051 9.718 -1.305 1.00 0.00 C ATOM 62 NE ARG A 7 0.018 10.643 -0.892 1.00 0.00 N ATOM 63 CZ ARG A 7 0.656 11.499 -1.702 1.00 0.00 C ATOM 64 NH1 ARG A 7 0.289 11.710 -2.958 1.00 0.00 N ATOM 65 NH2 ARG A 7 1.632 12.258 -1.237 1.00 0.00 N ATOM 0 H ARG A 7 0.574 7.082 2.216 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.266 7.592 1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.132 8.313 0.772 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.537 7.189 -0.394 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.656 8.537 -0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.940 9.679 0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.640 8.988 -2.002 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.816 10.277 -1.843 1.00 0.00 H new ATOM 0 HE ARG A 7 0.295 10.631 0.090 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.511 11.210 -3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.806 12.372 -3.536 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.904 12.195 -0.256 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.114 12.907 -1.859 1.00 0.00 H new ATOM 68 N LEU A 8 -1.176 4.699 1.002 1.00 0.00 N ATOM 69 CA LEU A 8 -1.531 3.328 0.591 1.00 0.00 C ATOM 70 C LEU A 8 -2.481 2.699 1.619 1.00 0.00 C ATOM 71 O LEU A 8 -3.588 2.288 1.261 1.00 0.00 O ATOM 72 CB LEU A 8 -0.216 2.532 0.475 1.00 0.00 C ATOM 73 CG LEU A 8 -0.292 1.406 -0.563 1.00 0.00 C ATOM 74 CD1 LEU A 8 1.129 1.058 -1.030 1.00 0.00 C ATOM 75 CD2 LEU A 8 -1.009 0.159 -0.037 1.00 0.00 C ATOM 0 H LEU A 8 -0.190 4.796 1.243 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.052 3.324 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.593 3.212 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.033 2.107 1.447 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.886 1.765 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.083 0.258 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.591 1.938 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.723 0.731 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.032 -0.603 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.477 -0.227 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.029 0.418 0.247 1.00 0.00 H new ATOM 77 N LYS A 9 -2.096 2.747 2.901 1.00 0.00 N ATOM 78 CA LYS A 9 -2.960 2.233 3.979 1.00 0.00 C ATOM 79 C LYS A 9 -4.358 2.879 4.035 1.00 0.00 C ATOM 80 O LYS A 9 -5.353 2.161 4.054 1.00 0.00 O ATOM 81 CB LYS A 9 -2.253 2.213 5.342 1.00 0.00 C ATOM 82 CG LYS A 9 -2.272 3.541 6.100 1.00 0.00 C ATOM 83 CD LYS A 9 -2.074 3.313 7.598 1.00 0.00 C ATOM 84 CE LYS A 9 -2.423 4.569 8.397 1.00 0.00 C ATOM 85 NZ LYS A 9 -1.633 5.710 7.916 1.00 0.00 N ATOM 0 H LYS A 9 -1.205 3.130 3.217 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.152 1.193 3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.719 1.450 5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.216 1.912 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.486 4.193 5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.220 4.050 5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.699 2.483 7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.039 3.030 7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.487 4.787 8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.227 4.402 9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.695 6.489 8.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.639 5.423 7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.005 6.027 6.998 1.00 0.00 H new ATOM 90 N LYS A 10 -4.405 4.197 3.871 1.00 0.00 N ATOM 91 CA LYS A 10 -5.665 4.969 3.792 1.00 0.00 C ATOM 92 C LYS A 10 -6.599 4.529 2.652 1.00 0.00 C ATOM 93 O LYS A 10 -7.808 4.394 2.839 1.00 0.00 O ATOM 94 CB LYS A 10 -5.352 6.463 3.626 1.00 0.00 C ATOM 95 CG LYS A 10 -4.809 7.015 4.935 1.00 0.00 C ATOM 96 CD LYS A 10 -4.356 8.464 4.790 1.00 0.00 C ATOM 97 CE LYS A 10 -3.965 9.025 6.162 1.00 0.00 C ATOM 98 NZ LYS A 10 -5.177 9.146 6.983 1.00 0.00 N ATOM 0 H LYS A 10 -3.569 4.775 3.787 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.191 4.775 4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.623 6.606 2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.253 7.004 3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.578 6.949 5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.971 6.403 5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.508 8.523 4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.157 9.063 4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.244 8.368 6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.485 9.997 6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.028 9.866 7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.978 9.426 6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.385 8.231 7.432 1.00 0.00 H new ATOM 103 N ARG A 11 -5.993 4.202 1.524 1.00 0.00 N ATOM 104 CA ARG A 11 -6.721 3.687 0.358 1.00 0.00 C ATOM 105 C ARG A 11 -7.293 2.282 0.553 1.00 0.00 C ATOM 106 O ARG A 11 -8.467 2.060 0.277 1.00 0.00 O ATOM 107 CB ARG A 11 -5.764 3.747 -0.836 1.00 0.00 C ATOM 108 CG ARG A 11 -6.472 3.543 -2.178 1.00 0.00 C ATOM 109 CD ARG A 11 -7.471 4.669 -2.446 1.00 0.00 C ATOM 110 NE ARG A 11 -7.952 4.451 -3.817 1.00 0.00 N ATOM 111 CZ ARG A 11 -7.637 5.174 -4.880 1.00 0.00 C ATOM 112 NH1 ARG A 11 -6.994 6.339 -4.821 1.00 0.00 N ATOM 113 NH2 ARG A 11 -8.064 4.732 -6.052 1.00 0.00 N ATOM 0 H ARG A 11 -4.986 4.282 1.382 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.600 4.309 0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.258 4.712 -0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.995 2.984 -0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.735 3.507 -2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.990 2.584 -2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.294 4.641 -1.732 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.997 5.646 -2.347 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.589 3.668 -3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.715 6.722 -3.918 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.781 6.848 -5.679 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.609 3.871 -6.105 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.848 5.252 -6.903 1.00 0.00 H new ATOM 116 N ARG A 12 -6.514 1.404 1.188 1.00 0.00 N ATOM 117 CA ARG A 12 -6.943 0.030 1.543 1.00 0.00 C ATOM 118 C ARG A 12 -8.248 0.045 2.374 1.00 0.00 C ATOM 119 O ARG A 12 -9.167 -0.744 2.121 1.00 0.00 O ATOM 120 CB ARG A 12 -5.785 -0.583 2.327 1.00 0.00 C ATOM 121 CG ARG A 12 -5.780 -2.102 2.317 1.00 0.00 C ATOM 122 CD ARG A 12 -4.673 -2.625 3.242 1.00 0.00 C ATOM 123 NE ARG A 12 -3.335 -2.300 2.721 1.00 0.00 N ATOM 124 CZ ARG A 12 -2.353 -1.643 3.363 1.00 0.00 C ATOM 125 NH1 ARG A 12 -2.566 -1.010 4.509 1.00 0.00 N ATOM 126 NH2 ARG A 12 -1.167 -1.530 2.806 1.00 0.00 N ATOM 0 H ARG A 12 -5.559 1.618 1.477 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.167 -0.557 0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.844 -0.222 1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.831 -0.235 3.359 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.749 -2.480 2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.621 -2.467 1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.793 -2.192 4.235 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.769 -3.705 3.352 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.131 -2.606 1.770 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.496 -1.013 4.928 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.800 -0.521 4.971 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.993 -1.940 1.888 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.421 -1.032 3.292 1.00 0.00 H new ATOM 129 N ILE A 13 -8.358 1.050 3.226 1.00 0.00 N ATOM 130 CA ILE A 13 -9.555 1.320 4.056 1.00 0.00 C ATOM 131 C ILE A 13 -10.741 1.743 3.165 1.00 0.00 C ATOM 132 O ILE A 13 -11.803 1.119 3.231 1.00 0.00 O ATOM 133 CB ILE A 13 -9.224 2.373 5.114 1.00 0.00 C ATOM 134 CG1 ILE A 13 -8.038 1.909 5.975 1.00 0.00 C ATOM 135 CG2 ILE A 13 -10.455 2.661 5.993 1.00 0.00 C ATOM 136 CD1 ILE A 13 -7.407 3.007 6.840 1.00 0.00 C ATOM 0 H ILE A 13 -7.609 1.726 3.375 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.853 0.410 4.576 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.943 3.297 4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.373 1.100 6.625 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.271 1.495 5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.201 3.413 6.740 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.269 3.030 5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.768 1.744 6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.579 2.589 7.412 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.037 3.807 6.199 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.156 3.407 7.524 1.00 0.00 H new ATOM 138 N ALA A 14 -10.526 2.768 2.332 1.00 0.00 N ATOM 139 CA ALA A 14 -11.548 3.230 1.365 1.00 0.00 C ATOM 140 C ALA A 14 -12.119 2.079 0.513 1.00 0.00 C ATOM 141 O ALA A 14 -13.336 1.890 0.465 1.00 0.00 O ATOM 142 CB ALA A 14 -10.953 4.313 0.467 1.00 0.00 C ATOM 0 H ALA A 14 -9.655 3.298 2.303 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.380 3.640 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.707 4.651 -0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.627 5.154 1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.099 3.907 -0.076 1.00 0.00 H new ATOM 144 N LEU A 15 -11.231 1.185 0.103 1.00 0.00 N ATOM 145 CA LEU A 15 -11.550 -0.004 -0.720 1.00 0.00 C ATOM 146 C LEU A 15 -12.215 -1.174 0.025 1.00 0.00 C ATOM 147 O LEU A 15 -12.722 -2.096 -0.625 1.00 0.00 O ATOM 148 CB LEU A 15 -10.281 -0.450 -1.459 1.00 0.00 C ATOM 149 CG LEU A 15 -10.102 0.198 -2.851 1.00 0.00 C ATOM 150 CD1 LEU A 15 -11.208 -0.259 -3.814 1.00 0.00 C ATOM 151 CD2 LEU A 15 -9.988 1.725 -2.822 1.00 0.00 C ATOM 0 H LEU A 15 -10.240 1.256 0.332 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.320 0.309 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.413 -0.212 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.302 -1.534 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.140 -0.156 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.060 0.210 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.169 -1.343 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.180 0.031 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.865 2.100 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.892 2.149 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.126 2.014 -2.221 1.00 0.00 H new ATOM 153 N LYS A 16 -12.350 -1.027 1.346 1.00 0.00 N ATOM 154 CA LYS A 16 -12.867 -2.036 2.296 1.00 0.00 C ATOM 155 C LYS A 16 -12.124 -3.376 2.302 1.00 0.00 C ATOM 156 O LYS A 16 -12.662 -4.429 2.650 1.00 0.00 O ATOM 157 CB LYS A 16 -14.367 -2.240 2.108 1.00 0.00 C ATOM 158 CG LYS A 16 -15.178 -1.082 2.669 1.00 0.00 C ATOM 159 CD LYS A 16 -16.647 -1.336 2.299 1.00 0.00 C ATOM 160 CE LYS A 16 -17.560 -0.218 2.779 1.00 0.00 C ATOM 161 NZ LYS A 16 -17.786 -0.475 4.201 1.00 0.00 N ATOM 0 H LYS A 16 -12.090 -0.158 1.813 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.674 -1.614 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.586 -2.355 1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -14.671 -3.165 2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -15.059 -1.017 3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.835 -0.135 2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -16.736 -1.436 1.217 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -16.972 -2.281 2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -17.098 0.757 2.626 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -18.500 -0.216 2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -18.791 -0.693 4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -17.205 -1.282 4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -17.524 0.367 4.752 1.00 0.00 H new ATOM 166 N MET A 17 -10.806 -3.261 2.174 1.00 0.00 N ATOM 167 CA MET A 17 -9.908 -4.402 2.015 1.00 0.00 C ATOM 168 C MET A 17 -8.876 -4.528 3.144 1.00 0.00 C ATOM 169 O MET A 17 -8.359 -3.549 3.679 1.00 0.00 O ATOM 170 CB MET A 17 -9.193 -4.245 0.676 1.00 0.00 C ATOM 171 CG MET A 17 -10.040 -4.788 -0.470 1.00 0.00 C ATOM 172 SD MET A 17 -9.498 -4.195 -2.124 1.00 0.00 S ATOM 173 CE MET A 17 -7.912 -4.982 -2.287 1.00 0.00 C ATOM 0 H MET A 17 -10.324 -2.362 2.178 1.00 0.00 H new ATOM 0 HA MET A 17 -10.506 -5.313 2.052 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.972 -3.192 0.501 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.239 -4.771 0.707 1.00 0.00 H new ATOM 0 HG2 MET A 17 -10.005 -5.877 -0.453 1.00 0.00 H new ATOM 0 HG3 MET A 17 -11.079 -4.500 -0.312 1.00 0.00 H new ATOM 0 HE1 MET A 17 -7.580 -4.920 -3.323 1.00 0.00 H new ATOM 0 HE2 MET A 17 -7.189 -4.480 -1.644 1.00 0.00 H new ATOM 0 HE3 MET A 17 -7.993 -6.029 -1.994 1.00 0.00 H new ATOM 175 N THR A 18 -8.585 -5.790 3.434 1.00 0.00 N ATOM 176 CA THR A 18 -7.487 -6.181 4.344 1.00 0.00 C ATOM 177 C THR A 18 -6.221 -6.421 3.524 1.00 0.00 C ATOM 178 O THR A 18 -6.270 -6.677 2.319 1.00 0.00 O ATOM 179 CB THR A 18 -7.804 -7.470 5.117 1.00 0.00 C ATOM 180 OG1 THR A 18 -7.945 -8.573 4.205 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.013 -7.327 6.040 1.00 0.00 C ATOM 0 H THR A 18 -9.099 -6.583 3.049 1.00 0.00 H new ATOM 0 HA THR A 18 -7.354 -5.372 5.062 1.00 0.00 H new ATOM 0 HB THR A 18 -6.960 -7.675 5.776 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.891 -8.816 4.129 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.188 -8.269 6.559 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.822 -6.541 6.770 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.893 -7.069 5.450 1.00 0.00 H new ATOM 184 N GLN A 19 -5.079 -6.465 4.208 1.00 0.00 N ATOM 185 CA GLN A 19 -3.807 -6.828 3.563 1.00 0.00 C ATOM 186 C GLN A 19 -3.765 -8.244 2.994 1.00 0.00 C ATOM 187 O GLN A 19 -3.061 -8.483 2.027 1.00 0.00 O ATOM 188 CB GLN A 19 -2.675 -6.738 4.538 1.00 0.00 C ATOM 189 CG GLN A 19 -2.156 -5.340 4.309 1.00 0.00 C ATOM 190 CD GLN A 19 -1.679 -4.679 5.584 1.00 0.00 C ATOM 191 OE1 GLN A 19 -1.528 -3.404 5.458 1.00 0.00 O flip ATOM 192 NE2 GLN A 19 -1.585 -5.216 6.688 1.00 0.00 N flip ATOM 0 H GLN A 19 -5.003 -6.256 5.203 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.715 -6.117 2.742 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.011 -6.883 5.565 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.911 -7.491 4.344 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.335 -5.374 3.593 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.943 -4.733 3.862 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.706 -6.225 6.776 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.386 -4.652 7.514 1.00 0.00 H new ATOM 194 N THR A 20 -4.417 -9.151 3.708 1.00 0.00 N ATOM 195 CA THR A 20 -4.645 -10.535 3.249 1.00 0.00 C ATOM 196 C THR A 20 -5.340 -10.568 1.886 1.00 0.00 C ATOM 197 O THR A 20 -4.860 -11.177 0.937 1.00 0.00 O ATOM 198 CB THR A 20 -5.557 -11.205 4.290 1.00 0.00 C ATOM 199 OG1 THR A 20 -5.225 -10.769 5.623 1.00 0.00 O ATOM 200 CG2 THR A 20 -5.480 -12.731 4.173 1.00 0.00 C ATOM 0 H THR A 20 -4.809 -8.957 4.629 1.00 0.00 H new ATOM 0 HA THR A 20 -3.690 -11.049 3.145 1.00 0.00 H new ATOM 0 HB THR A 20 -6.584 -10.902 4.088 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.630 -11.425 6.043 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.132 -13.186 4.918 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.799 -13.036 3.176 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.454 -13.057 4.341 1.00 0.00 H new ATOM 203 N GLU A 21 -6.425 -9.795 1.812 1.00 0.00 N ATOM 204 CA GLU A 21 -7.225 -9.610 0.585 1.00 0.00 C ATOM 205 C GLU A 21 -6.418 -8.977 -0.560 1.00 0.00 C ATOM 206 O GLU A 21 -6.318 -9.540 -1.642 1.00 0.00 O ATOM 207 CB GLU A 21 -8.461 -8.774 0.906 1.00 0.00 C ATOM 208 CG GLU A 21 -9.731 -9.619 1.033 1.00 0.00 C ATOM 209 CD GLU A 21 -9.780 -10.513 2.272 1.00 0.00 C ATOM 210 OE1 GLU A 21 -10.098 -9.977 3.356 1.00 0.00 O ATOM 211 OE2 GLU A 21 -9.545 -11.735 2.117 1.00 0.00 O ATOM 0 H GLU A 21 -6.783 -9.270 2.610 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.529 -10.596 0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.296 -8.232 1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.603 -8.028 0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.594 -8.954 1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.825 -10.245 0.146 1.00 0.00 H new ATOM 213 N LEU A 22 -5.699 -7.911 -0.206 1.00 0.00 N ATOM 214 CA LEU A 22 -4.793 -7.188 -1.114 1.00 0.00 C ATOM 215 C LEU A 22 -3.628 -8.078 -1.589 1.00 0.00 C ATOM 216 O LEU A 22 -3.421 -8.193 -2.792 1.00 0.00 O ATOM 217 CB LEU A 22 -4.388 -5.927 -0.346 1.00 0.00 C ATOM 218 CG LEU A 22 -3.303 -5.073 -1.007 1.00 0.00 C ATOM 219 CD1 LEU A 22 -3.690 -4.590 -2.404 1.00 0.00 C ATOM 220 CD2 LEU A 22 -3.052 -3.850 -0.127 1.00 0.00 C ATOM 0 H LEU A 22 -5.727 -7.515 0.734 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.264 -6.904 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.275 -5.310 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.041 -6.222 0.644 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.414 -5.696 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.880 -3.990 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.872 -5.450 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.595 -3.985 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.281 -3.227 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.973 -3.275 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.722 -4.174 0.860 1.00 0.00 H new ATOM 222 N ALA A 23 -3.074 -8.861 -0.667 1.00 0.00 N ATOM 223 CA ALA A 23 -2.034 -9.878 -0.938 1.00 0.00 C ATOM 224 C ALA A 23 -2.464 -10.889 -2.016 1.00 0.00 C ATOM 225 O ALA A 23 -1.806 -11.000 -3.050 1.00 0.00 O ATOM 226 CB ALA A 23 -1.716 -10.612 0.350 1.00 0.00 C ATOM 0 H ALA A 23 -3.335 -8.813 0.318 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.153 -9.361 -1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.950 -11.364 0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.352 -9.902 1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.617 -11.098 0.724 1.00 0.00 H new ATOM 228 N THR A 24 -3.625 -11.494 -1.777 1.00 0.00 N ATOM 229 CA THR A 24 -4.271 -12.485 -2.671 1.00 0.00 C ATOM 230 C THR A 24 -4.482 -11.900 -4.075 1.00 0.00 C ATOM 231 O THR A 24 -3.994 -12.467 -5.057 1.00 0.00 O ATOM 232 CB THR A 24 -5.579 -12.971 -2.021 1.00 0.00 C ATOM 233 OG1 THR A 24 -5.235 -13.780 -0.898 1.00 0.00 O ATOM 234 CG2 THR A 24 -6.469 -13.818 -2.945 1.00 0.00 C ATOM 0 H THR A 24 -4.168 -11.311 -0.933 1.00 0.00 H new ATOM 0 HA THR A 24 -3.621 -13.350 -2.802 1.00 0.00 H new ATOM 0 HB THR A 24 -6.148 -12.079 -1.759 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.050 -13.206 -0.126 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.369 -14.118 -2.408 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.748 -13.231 -3.820 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.923 -14.706 -3.263 1.00 0.00 H new ATOM 237 N LYS A 25 -5.124 -10.741 -4.134 1.00 0.00 N ATOM 238 CA LYS A 25 -5.418 -10.041 -5.392 1.00 0.00 C ATOM 239 C LYS A 25 -4.145 -9.607 -6.143 1.00 0.00 C ATOM 240 O LYS A 25 -4.039 -9.790 -7.351 1.00 0.00 O ATOM 241 CB LYS A 25 -6.309 -8.840 -5.076 1.00 0.00 C ATOM 242 CG LYS A 25 -7.721 -9.255 -4.654 1.00 0.00 C ATOM 243 CD LYS A 25 -8.661 -8.052 -4.538 1.00 0.00 C ATOM 244 CE LYS A 25 -9.071 -7.554 -5.925 1.00 0.00 C ATOM 245 NZ LYS A 25 -9.802 -6.283 -5.817 1.00 0.00 N ATOM 0 H LYS A 25 -5.461 -10.250 -3.306 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.934 -10.729 -6.062 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.853 -8.252 -4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.370 -8.195 -5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.124 -9.961 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.676 -9.774 -3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.548 -8.330 -3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.168 -7.250 -3.989 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.186 -7.420 -6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.696 -8.300 -6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.447 -6.183 -6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.351 -6.272 -4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.126 -5.493 -5.814 1.00 0.00 H new ATOM 250 N ALA A 26 -3.170 -9.102 -5.385 1.00 0.00 N ATOM 251 CA ALA A 26 -1.838 -8.730 -5.891 1.00 0.00 C ATOM 252 C ALA A 26 -0.934 -9.899 -6.335 1.00 0.00 C ATOM 253 O ALA A 26 -0.010 -9.694 -7.117 1.00 0.00 O ATOM 254 CB ALA A 26 -1.094 -7.867 -4.850 1.00 0.00 C ATOM 0 H ALA A 26 -3.281 -8.935 -4.385 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.042 -8.167 -6.802 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.111 -7.599 -5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.666 -6.961 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.979 -8.432 -3.925 1.00 0.00 H new ATOM 256 N GLY A 27 -1.284 -11.128 -5.941 1.00 0.00 N ATOM 257 CA GLY A 27 -0.469 -12.349 -6.206 1.00 0.00 C ATOM 258 C GLY A 27 0.800 -12.470 -5.339 1.00 0.00 C ATOM 259 O GLY A 27 1.812 -13.001 -5.772 1.00 0.00 O ATOM 0 H GLY A 27 -2.143 -11.319 -5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.091 -13.229 -6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.178 -12.356 -7.256 1.00 0.00 H new ATOM 261 N VAL A 28 0.669 -12.022 -4.097 1.00 0.00 N ATOM 262 CA VAL A 28 1.725 -12.044 -3.062 1.00 0.00 C ATOM 263 C VAL A 28 1.147 -12.384 -1.678 1.00 0.00 C ATOM 264 O VAL A 28 -0.026 -12.733 -1.528 1.00 0.00 O ATOM 265 CB VAL A 28 2.506 -10.707 -3.032 1.00 0.00 C ATOM 266 CG1 VAL A 28 3.539 -10.642 -4.163 1.00 0.00 C ATOM 267 CG2 VAL A 28 1.638 -9.449 -2.992 1.00 0.00 C ATOM 0 H VAL A 28 -0.203 -11.616 -3.758 1.00 0.00 H new ATOM 0 HA VAL A 28 2.429 -12.834 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 28 3.027 -10.709 -2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.071 -9.692 -4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.249 -11.462 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.032 -10.726 -5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.277 -8.566 -2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.002 -9.418 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.015 -9.465 -2.098 1.00 0.00 H new ATOM 269 N LYS A 29 1.984 -12.268 -0.652 1.00 0.00 N ATOM 270 CA LYS A 29 1.624 -12.600 0.735 1.00 0.00 C ATOM 271 C LYS A 29 1.277 -11.365 1.564 1.00 0.00 C ATOM 272 O LYS A 29 1.725 -10.245 1.311 1.00 0.00 O ATOM 273 CB LYS A 29 2.759 -13.379 1.426 1.00 0.00 C ATOM 274 CG LYS A 29 3.169 -14.675 0.713 1.00 0.00 C ATOM 275 CD LYS A 29 2.006 -15.631 0.415 1.00 0.00 C ATOM 276 CE LYS A 29 2.560 -16.930 -0.180 1.00 0.00 C ATOM 277 NZ LYS A 29 1.522 -17.665 -0.911 1.00 0.00 N ATOM 0 H LYS A 29 2.944 -11.938 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 29 0.733 -13.225 0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.632 -12.731 1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.450 -13.621 2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.662 -14.419 -0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.903 -15.196 1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.451 -15.843 1.329 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.308 -15.167 -0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.388 -16.701 -0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.960 -17.557 0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.926 -18.540 -1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.744 -17.903 -0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.159 -17.074 -1.686 1.00 0.00 H new ATOM 282 N GLN A 30 0.518 -11.630 2.620 1.00 0.00 N ATOM 283 CA GLN A 30 0.013 -10.595 3.549 1.00 0.00 C ATOM 284 C GLN A 30 1.136 -9.739 4.153 1.00 0.00 C ATOM 285 O GLN A 30 1.134 -8.518 4.023 1.00 0.00 O ATOM 286 CB GLN A 30 -0.800 -11.285 4.646 1.00 0.00 C ATOM 287 CG GLN A 30 -1.553 -10.259 5.497 1.00 0.00 C ATOM 288 CD GLN A 30 -2.149 -10.903 6.749 1.00 0.00 C ATOM 289 OE1 GLN A 30 -3.016 -11.761 6.687 1.00 0.00 O ATOM 290 NE2 GLN A 30 -1.740 -10.433 7.907 1.00 0.00 N ATOM 0 H GLN A 30 0.226 -12.575 2.869 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.617 -9.905 2.988 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.509 -11.980 4.196 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.137 -11.873 5.281 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.875 -9.456 5.787 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.348 -9.806 4.905 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.015 -9.716 7.939 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.148 -10.785 8.773 1.00 0.00 H new ATOM 292 N GLN A 31 2.125 -10.419 4.726 1.00 0.00 N ATOM 293 CA GLN A 31 3.312 -9.796 5.339 1.00 0.00 C ATOM 294 C GLN A 31 4.120 -8.878 4.393 1.00 0.00 C ATOM 295 O GLN A 31 4.498 -7.769 4.779 1.00 0.00 O ATOM 296 CB GLN A 31 4.171 -10.903 5.966 1.00 0.00 C ATOM 297 CG GLN A 31 5.428 -10.379 6.676 1.00 0.00 C ATOM 298 CD GLN A 31 5.104 -9.413 7.820 1.00 0.00 C ATOM 299 OE1 GLN A 31 4.964 -8.201 7.666 1.00 0.00 O ATOM 300 NE2 GLN A 31 4.967 -9.949 9.012 1.00 0.00 N ATOM 0 H GLN A 31 2.132 -11.437 4.782 1.00 0.00 H new ATOM 0 HA GLN A 31 2.966 -9.110 6.112 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.566 -11.460 6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.470 -11.604 5.187 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.996 -11.222 7.068 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.066 -9.875 5.950 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.084 -10.955 9.135 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.744 -9.359 9.814 1.00 0.00 H new ATOM 302 N SER A 32 4.235 -9.289 3.133 1.00 0.00 N ATOM 303 CA SER A 32 4.905 -8.530 2.059 1.00 0.00 C ATOM 304 C SER A 32 4.312 -7.129 1.878 1.00 0.00 C ATOM 305 O SER A 32 5.021 -6.161 1.629 1.00 0.00 O ATOM 306 CB SER A 32 4.684 -9.308 0.764 1.00 0.00 C ATOM 307 OG SER A 32 5.056 -10.670 0.957 1.00 0.00 O ATOM 0 H SER A 32 3.858 -10.181 2.813 1.00 0.00 H new ATOM 0 HA SER A 32 5.958 -8.413 2.314 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.638 -9.245 0.464 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.274 -8.870 -0.041 1.00 0.00 H new ATOM 0 HG SER A 32 4.912 -11.169 0.126 1.00 0.00 H new ATOM 310 N ILE A 33 2.982 -7.080 1.958 1.00 0.00 N ATOM 311 CA ILE A 33 2.199 -5.822 1.914 1.00 0.00 C ATOM 312 C ILE A 33 2.371 -5.032 3.235 1.00 0.00 C ATOM 313 O ILE A 33 2.535 -3.808 3.216 1.00 0.00 O ATOM 314 CB ILE A 33 0.707 -6.150 1.672 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.445 -7.126 0.508 1.00 0.00 C ATOM 316 CG2 ILE A 33 -0.093 -4.858 1.535 1.00 0.00 C ATOM 317 CD1 ILE A 33 0.649 -6.620 -0.927 1.00 0.00 C ATOM 0 H ILE A 33 2.403 -7.914 2.056 1.00 0.00 H new ATOM 0 HA ILE A 33 2.566 -5.202 1.096 1.00 0.00 H new ATOM 0 HB ILE A 33 0.362 -6.694 2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.090 -7.993 0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.583 -7.477 0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.143 -5.096 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.002 -4.272 2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.289 -4.281 0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.425 -7.422 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.017 -5.777 -1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.683 -6.301 -1.057 1.00 0.00 H new ATOM 319 N GLN A 34 2.283 -5.715 4.370 1.00 0.00 N ATOM 320 CA GLN A 34 2.412 -5.075 5.707 1.00 0.00 C ATOM 321 C GLN A 34 3.729 -4.327 5.911 1.00 0.00 C ATOM 322 O GLN A 34 3.751 -3.274 6.544 1.00 0.00 O ATOM 323 CB GLN A 34 2.266 -6.044 6.890 1.00 0.00 C ATOM 324 CG GLN A 34 1.042 -6.938 6.740 1.00 0.00 C ATOM 325 CD GLN A 34 0.578 -7.544 8.071 1.00 0.00 C ATOM 326 OE1 GLN A 34 0.624 -8.745 8.304 1.00 0.00 O ATOM 327 NE2 GLN A 34 -0.079 -6.725 8.855 1.00 0.00 N ATOM 0 H GLN A 34 2.122 -6.721 4.408 1.00 0.00 H new ATOM 0 HA GLN A 34 1.578 -4.374 5.701 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.161 -6.662 6.966 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.190 -5.477 7.818 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.227 -6.359 6.306 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.269 -7.742 6.040 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.105 -5.728 8.643 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.564 -7.085 9.677 1.00 0.00 H new ATOM 329 N LEU A 35 4.799 -4.834 5.301 1.00 0.00 N ATOM 330 CA LEU A 35 6.122 -4.194 5.303 1.00 0.00 C ATOM 331 C LEU A 35 6.156 -2.785 4.683 1.00 0.00 C ATOM 332 O LEU A 35 6.905 -1.912 5.133 1.00 0.00 O ATOM 333 CB LEU A 35 7.093 -5.136 4.594 1.00 0.00 C ATOM 334 CG LEU A 35 7.547 -6.278 5.490 1.00 0.00 C ATOM 335 CD1 LEU A 35 8.399 -7.223 4.650 1.00 0.00 C ATOM 336 CD2 LEU A 35 8.369 -5.799 6.694 1.00 0.00 C ATOM 0 H LEU A 35 4.776 -5.713 4.783 1.00 0.00 H new ATOM 0 HA LEU A 35 6.412 -4.030 6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.615 -5.544 3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.963 -4.572 4.259 1.00 0.00 H new ATOM 0 HG LEU A 35 6.660 -6.772 5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.739 -8.053 5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.806 -7.608 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.262 -6.684 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.665 -6.657 7.297 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.260 -5.278 6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.767 -5.121 7.299 1.00 0.00 H new ATOM 338 N ILE A 36 5.304 -2.576 3.685 1.00 0.00 N ATOM 339 CA ILE A 36 5.108 -1.276 3.005 1.00 0.00 C ATOM 340 C ILE A 36 4.353 -0.336 3.949 1.00 0.00 C ATOM 341 O ILE A 36 4.888 0.672 4.414 1.00 0.00 O ATOM 342 CB ILE A 36 4.286 -1.379 1.695 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.441 -2.687 0.892 1.00 0.00 C ATOM 344 CG2 ILE A 36 4.545 -0.145 0.837 1.00 0.00 C ATOM 345 CD1 ILE A 36 5.869 -3.120 0.554 1.00 0.00 C ATOM 0 H ILE A 36 4.711 -3.316 3.309 1.00 0.00 H new ATOM 0 HA ILE A 36 6.101 -0.907 2.748 1.00 0.00 H new ATOM 0 HB ILE A 36 3.242 -1.415 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.966 -3.490 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.888 -2.581 -0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.968 -0.215 -0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.246 0.748 1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.607 -0.085 0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.843 -4.052 -0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.352 -2.347 -0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.431 -3.270 1.476 1.00 0.00 H new ATOM 347 N GLU A 37 3.191 -0.840 4.373 1.00 0.00 N ATOM 348 CA GLU A 37 2.273 -0.191 5.327 1.00 0.00 C ATOM 349 C GLU A 37 3.002 0.286 6.604 1.00 0.00 C ATOM 350 O GLU A 37 2.867 1.434 7.008 1.00 0.00 O ATOM 351 CB GLU A 37 1.202 -1.227 5.650 1.00 0.00 C ATOM 352 CG GLU A 37 0.150 -0.641 6.610 1.00 0.00 C ATOM 353 CD GLU A 37 -0.356 -1.659 7.632 1.00 0.00 C ATOM 354 OE1 GLU A 37 0.354 -2.643 7.923 1.00 0.00 O ATOM 355 OE2 GLU A 37 -1.538 -1.496 7.999 1.00 0.00 O ATOM 0 H GLU A 37 2.846 -1.745 4.052 1.00 0.00 H new ATOM 0 HA GLU A 37 1.838 0.709 4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.719 -1.557 4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.663 -2.106 6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.580 0.211 7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.694 -0.265 6.031 1.00 0.00 H new ATOM 357 N ALA A 38 3.774 -0.617 7.192 1.00 0.00 N ATOM 358 CA ALA A 38 4.578 -0.385 8.409 1.00 0.00 C ATOM 359 C ALA A 38 5.814 0.534 8.248 1.00 0.00 C ATOM 360 O ALA A 38 6.555 0.749 9.202 1.00 0.00 O ATOM 361 CB ALA A 38 4.987 -1.762 8.957 1.00 0.00 C ATOM 0 H ALA A 38 3.869 -1.567 6.832 1.00 0.00 H new ATOM 0 HA ALA A 38 3.948 0.172 9.102 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.584 -1.632 9.859 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.093 -2.339 9.194 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.574 -2.292 8.207 1.00 0.00 H new ATOM 363 N GLY A 39 6.019 1.059 7.036 1.00 0.00 N ATOM 364 CA GLY A 39 7.091 2.023 6.716 1.00 0.00 C ATOM 365 C GLY A 39 8.520 1.470 6.692 1.00 0.00 C ATOM 366 O GLY A 39 9.485 2.222 6.741 1.00 0.00 O ATOM 0 H GLY A 39 5.437 0.825 6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.877 2.460 5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.050 2.833 7.444 1.00 0.00 H new ATOM 368 N VAL A 40 8.639 0.188 6.361 1.00 0.00 N ATOM 369 CA VAL A 40 9.953 -0.491 6.348 1.00 0.00 C ATOM 370 C VAL A 40 10.407 -0.682 4.890 1.00 0.00 C ATOM 371 O VAL A 40 11.379 -0.080 4.435 1.00 0.00 O ATOM 372 CB VAL A 40 9.874 -1.803 7.162 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.173 -2.621 7.104 1.00 0.00 C ATOM 374 CG2 VAL A 40 9.560 -1.501 8.633 1.00 0.00 C ATOM 0 H VAL A 40 7.854 -0.408 6.098 1.00 0.00 H new ATOM 0 HA VAL A 40 10.715 0.117 6.835 1.00 0.00 H new ATOM 0 HB VAL A 40 9.078 -2.393 6.708 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.057 -3.530 7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.391 -2.885 6.069 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.994 -2.029 7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.508 -2.435 9.193 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.345 -0.871 9.051 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.604 -0.983 8.702 1.00 0.00 H new ATOM 376 N THR A 41 9.533 -1.323 4.119 1.00 0.00 N ATOM 377 CA THR A 41 9.762 -1.605 2.695 1.00 0.00 C ATOM 378 C THR A 41 9.157 -0.466 1.856 1.00 0.00 C ATOM 379 O THR A 41 8.067 -0.553 1.296 1.00 0.00 O ATOM 380 CB THR A 41 9.159 -2.969 2.354 1.00 0.00 C ATOM 381 OG1 THR A 41 9.666 -3.939 3.272 1.00 0.00 O ATOM 382 CG2 THR A 41 9.476 -3.425 0.926 1.00 0.00 C ATOM 0 H THR A 41 8.636 -1.667 4.463 1.00 0.00 H new ATOM 0 HA THR A 41 10.827 -1.651 2.468 1.00 0.00 H new ATOM 0 HB THR A 41 8.076 -2.873 2.429 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.527 -4.838 2.908 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.021 -4.399 0.745 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.077 -2.701 0.216 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.556 -3.500 0.799 1.00 0.00 H new ATOM 385 N LYS A 42 9.993 0.558 1.711 1.00 0.00 N ATOM 386 CA LYS A 42 9.667 1.786 0.943 1.00 0.00 C ATOM 387 C LYS A 42 9.788 1.685 -0.595 1.00 0.00 C ATOM 388 O LYS A 42 9.886 2.694 -1.302 1.00 0.00 O ATOM 389 CB LYS A 42 10.459 2.970 1.518 1.00 0.00 C ATOM 390 CG LYS A 42 9.810 3.533 2.784 1.00 0.00 C ATOM 391 CD LYS A 42 8.530 4.305 2.437 1.00 0.00 C ATOM 392 CE LYS A 42 7.743 4.827 3.645 1.00 0.00 C ATOM 393 NZ LYS A 42 8.421 5.968 4.258 1.00 0.00 N ATOM 0 H LYS A 42 10.927 0.573 2.121 1.00 0.00 H new ATOM 0 HA LYS A 42 8.597 1.946 1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.476 2.650 1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.531 3.757 0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.576 2.720 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.511 4.192 3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.794 5.150 1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.879 3.656 1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.741 5.120 3.332 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.627 4.030 4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.869 6.303 5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.368 5.679 4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.509 6.735 3.561 1.00 0.00 H new ATOM 398 N ARG A 43 9.864 0.454 -1.075 1.00 0.00 N ATOM 399 CA ARG A 43 9.689 0.084 -2.495 1.00 0.00 C ATOM 400 C ARG A 43 9.262 -1.393 -2.596 1.00 0.00 C ATOM 401 O ARG A 43 9.920 -2.248 -2.013 1.00 0.00 O ATOM 402 CB ARG A 43 10.933 0.360 -3.354 1.00 0.00 C ATOM 403 CG ARG A 43 12.207 -0.295 -2.840 1.00 0.00 C ATOM 404 CD ARG A 43 13.356 -0.120 -3.834 1.00 0.00 C ATOM 405 NE ARG A 43 14.395 -1.078 -3.459 1.00 0.00 N ATOM 406 CZ ARG A 43 14.680 -2.219 -4.107 1.00 0.00 C ATOM 407 NH1 ARG A 43 14.022 -2.568 -5.200 1.00 0.00 N ATOM 408 NH2 ARG A 43 15.526 -3.089 -3.564 1.00 0.00 N ATOM 0 H ARG A 43 10.055 -0.351 -0.478 1.00 0.00 H new ATOM 0 HA ARG A 43 8.904 0.722 -2.901 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.744 0.012 -4.369 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.089 1.437 -3.410 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.483 0.142 -1.880 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.030 -1.357 -2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.015 -0.300 -4.853 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.741 0.899 -3.802 1.00 0.00 H new ATOM 0 HE ARG A 43 14.952 -0.861 -2.633 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.283 -1.966 -5.565 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.253 -3.439 -5.678 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.954 -2.888 -2.660 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.747 -3.958 -4.051 1.00 0.00 H new ATOM 411 N PRO A 44 8.011 -1.632 -3.008 1.00 0.00 N ATOM 412 CA PRO A 44 7.646 -2.984 -3.461 1.00 0.00 C ATOM 413 C PRO A 44 7.894 -3.154 -4.961 1.00 0.00 C ATOM 414 O PRO A 44 7.457 -2.347 -5.783 1.00 0.00 O ATOM 415 CB PRO A 44 6.162 -3.151 -3.100 1.00 0.00 C ATOM 416 CG PRO A 44 5.627 -1.717 -3.003 1.00 0.00 C ATOM 417 CD PRO A 44 6.821 -0.872 -2.583 1.00 0.00 C ATOM 0 HA PRO A 44 8.255 -3.750 -2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.630 -3.722 -3.861 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.040 -3.685 -2.157 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.224 -1.382 -3.959 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.819 -1.647 -2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.793 0.110 -3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.825 -0.707 -1.506 1.00 0.00 H new ATOM 418 N ARG A 45 8.617 -4.220 -5.283 1.00 0.00 N ATOM 419 CA ARG A 45 8.741 -4.677 -6.688 1.00 0.00 C ATOM 420 C ARG A 45 7.355 -4.939 -7.327 1.00 0.00 C ATOM 421 O ARG A 45 7.101 -4.595 -8.475 1.00 0.00 O ATOM 422 CB ARG A 45 9.566 -5.965 -6.797 1.00 0.00 C ATOM 423 CG ARG A 45 11.013 -5.766 -6.338 1.00 0.00 C ATOM 424 CD ARG A 45 11.386 -6.729 -5.198 1.00 0.00 C ATOM 425 NE ARG A 45 10.545 -6.541 -3.990 1.00 0.00 N ATOM 426 CZ ARG A 45 10.554 -5.497 -3.161 1.00 0.00 C ATOM 427 NH1 ARG A 45 11.491 -4.556 -3.249 1.00 0.00 N ATOM 428 NH2 ARG A 45 9.757 -5.434 -2.106 1.00 0.00 N ATOM 0 H ARG A 45 9.127 -4.789 -4.607 1.00 0.00 H new ATOM 0 HA ARG A 45 9.247 -3.872 -7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.100 -6.745 -6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.559 -6.313 -7.830 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.687 -5.921 -7.181 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.151 -4.737 -6.005 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.286 -7.756 -5.549 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.433 -6.583 -4.933 1.00 0.00 H new ATOM 0 HE ARG A 45 9.890 -7.291 -3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.219 -4.626 -3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.481 -3.765 -2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.112 -6.199 -1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.788 -4.621 -1.491 1.00 0.00 H new ATOM 431 N PHE A 46 6.449 -5.460 -6.509 1.00 0.00 N ATOM 432 CA PHE A 46 5.044 -5.700 -6.887 1.00 0.00 C ATOM 433 C PHE A 46 4.088 -4.497 -6.710 1.00 0.00 C ATOM 434 O PHE A 46 2.876 -4.676 -6.662 1.00 0.00 O ATOM 435 CB PHE A 46 4.524 -6.974 -6.209 1.00 0.00 C ATOM 436 CG PHE A 46 4.913 -7.147 -4.731 1.00 0.00 C ATOM 437 CD1 PHE A 46 6.135 -7.775 -4.372 1.00 0.00 C ATOM 438 CD2 PHE A 46 4.054 -6.610 -3.755 1.00 0.00 C ATOM 439 CE1 PHE A 46 6.499 -7.834 -3.005 1.00 0.00 C ATOM 440 CE2 PHE A 46 4.410 -6.683 -2.396 1.00 0.00 C ATOM 441 CZ PHE A 46 5.642 -7.279 -2.035 1.00 0.00 C ATOM 0 H PHE A 46 6.663 -5.734 -5.550 1.00 0.00 H new ATOM 0 HA PHE A 46 5.050 -5.846 -7.967 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.437 -6.986 -6.284 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.891 -7.836 -6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.776 -8.201 -5.129 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.125 -6.144 -4.048 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.427 -8.301 -2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.751 -6.289 -1.637 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.931 -7.309 -0.995 1.00 0.00 H new ATOM 443 N LEU A 47 4.629 -3.283 -6.816 1.00 0.00 N ATOM 444 CA LEU A 47 3.838 -2.032 -6.718 1.00 0.00 C ATOM 445 C LEU A 47 2.642 -1.973 -7.696 1.00 0.00 C ATOM 446 O LEU A 47 1.524 -1.641 -7.314 1.00 0.00 O ATOM 447 CB LEU A 47 4.744 -0.781 -6.833 1.00 0.00 C ATOM 448 CG LEU A 47 5.197 -0.321 -8.227 1.00 0.00 C ATOM 449 CD1 LEU A 47 5.887 1.045 -8.091 1.00 0.00 C ATOM 450 CD2 LEU A 47 6.126 -1.311 -8.931 1.00 0.00 C ATOM 0 H LEU A 47 5.625 -3.127 -6.972 1.00 0.00 H new ATOM 0 HA LEU A 47 3.394 -2.035 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.218 0.051 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.639 -0.966 -6.239 1.00 0.00 H new ATOM 0 HG LEU A 47 4.307 -0.254 -8.853 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.215 1.386 -9.073 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.186 1.767 -7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.750 0.953 -7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.403 -0.917 -9.909 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.024 -1.457 -8.331 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.614 -2.265 -9.056 1.00 0.00 H new ATOM 452 N PHE A 48 2.901 -2.462 -8.911 1.00 0.00 N ATOM 453 CA PHE A 48 1.929 -2.644 -10.007 1.00 0.00 C ATOM 454 C PHE A 48 0.756 -3.538 -9.586 1.00 0.00 C ATOM 455 O PHE A 48 -0.397 -3.124 -9.612 1.00 0.00 O ATOM 456 CB PHE A 48 2.697 -3.268 -11.175 1.00 0.00 C ATOM 457 CG PHE A 48 2.261 -2.679 -12.512 1.00 0.00 C ATOM 458 CD1 PHE A 48 2.811 -1.436 -12.920 1.00 0.00 C ATOM 459 CD2 PHE A 48 1.364 -3.381 -13.345 1.00 0.00 C ATOM 460 CE1 PHE A 48 2.446 -0.886 -14.170 1.00 0.00 C ATOM 461 CE2 PHE A 48 0.997 -2.841 -14.592 1.00 0.00 C ATOM 462 CZ PHE A 48 1.535 -1.595 -14.994 1.00 0.00 C ATOM 0 H PHE A 48 3.840 -2.759 -9.177 1.00 0.00 H new ATOM 0 HA PHE A 48 1.492 -1.686 -10.288 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.766 -3.106 -11.036 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.537 -4.346 -11.182 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.505 -0.913 -12.279 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.960 -4.331 -13.026 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.855 0.060 -14.493 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.312 -3.372 -15.236 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.246 -1.176 -15.947 1.00 0.00 H new ATOM 464 N GLU A 49 1.088 -4.733 -9.110 1.00 0.00 N ATOM 465 CA GLU A 49 0.132 -5.707 -8.568 1.00 0.00 C ATOM 466 C GLU A 49 -0.695 -5.144 -7.406 1.00 0.00 C ATOM 467 O GLU A 49 -1.918 -5.093 -7.526 1.00 0.00 O ATOM 468 CB GLU A 49 0.883 -6.978 -8.179 1.00 0.00 C ATOM 469 CG GLU A 49 1.219 -7.817 -9.417 1.00 0.00 C ATOM 470 CD GLU A 49 2.100 -9.031 -9.087 1.00 0.00 C ATOM 471 OE1 GLU A 49 3.063 -8.842 -8.302 1.00 0.00 O ATOM 472 OE2 GLU A 49 1.897 -10.069 -9.743 1.00 0.00 O ATOM 0 H GLU A 49 2.052 -5.065 -9.087 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.596 -5.946 -9.344 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.801 -6.716 -7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.277 -7.566 -7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.294 -8.159 -9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.730 -7.190 -10.148 1.00 0.00 H new ATOM 474 N ILE A 50 -0.031 -4.498 -6.434 1.00 0.00 N ATOM 475 CA ILE A 50 -0.735 -3.841 -5.313 1.00 0.00 C ATOM 476 C ILE A 50 -1.732 -2.800 -5.847 1.00 0.00 C ATOM 477 O ILE A 50 -2.929 -2.935 -5.591 1.00 0.00 O ATOM 478 CB ILE A 50 0.219 -3.261 -4.259 1.00 0.00 C ATOM 479 CG1 ILE A 50 1.116 -4.380 -3.695 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.560 -2.545 -3.136 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.198 -3.907 -2.721 1.00 0.00 C ATOM 0 H ILE A 50 0.985 -4.415 -6.398 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.300 -4.609 -4.785 1.00 0.00 H new ATOM 0 HB ILE A 50 0.854 -2.514 -4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.486 -5.111 -3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.596 -4.895 -4.527 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.142 -2.145 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.145 -1.730 -3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.228 -3.254 -2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.778 -4.764 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.858 -3.201 -3.225 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.730 -3.420 -1.866 1.00 0.00 H new ATOM 483 N ALA A 51 -1.274 -1.944 -6.761 1.00 0.00 N ATOM 484 CA ALA A 51 -2.105 -0.919 -7.407 1.00 0.00 C ATOM 485 C ALA A 51 -3.333 -1.464 -8.146 1.00 0.00 C ATOM 486 O ALA A 51 -4.449 -1.034 -7.850 1.00 0.00 O ATOM 487 CB ALA A 51 -1.248 -0.095 -8.374 1.00 0.00 C ATOM 0 H ALA A 51 -0.305 -1.940 -7.079 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.494 -0.300 -6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.867 0.665 -8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.441 0.388 -7.823 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.826 -0.751 -9.135 1.00 0.00 H new ATOM 489 N MET A 52 -3.150 -2.494 -8.959 1.00 0.00 N ATOM 490 CA MET A 52 -4.240 -3.115 -9.742 1.00 0.00 C ATOM 491 C MET A 52 -5.213 -3.976 -8.915 1.00 0.00 C ATOM 492 O MET A 52 -6.378 -4.119 -9.270 1.00 0.00 O ATOM 493 CB MET A 52 -3.641 -3.879 -10.922 1.00 0.00 C ATOM 494 CG MET A 52 -3.376 -2.923 -12.088 1.00 0.00 C ATOM 495 SD MET A 52 -2.133 -1.627 -11.730 1.00 0.00 S ATOM 496 CE MET A 52 -2.790 -0.328 -12.736 1.00 0.00 C ATOM 0 H MET A 52 -2.241 -2.934 -9.104 1.00 0.00 H new ATOM 0 HA MET A 52 -4.869 -2.306 -10.114 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.712 -4.361 -10.619 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.322 -4.669 -11.237 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.043 -3.502 -12.949 1.00 0.00 H new ATOM 0 HG3 MET A 52 -4.313 -2.443 -12.370 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.159 0.556 -12.647 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.817 -0.652 -13.777 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.800 -0.087 -12.405 1.00 0.00 H new ATOM 498 N ALA A 53 -4.705 -4.497 -7.810 1.00 0.00 N ATOM 499 CA ALA A 53 -5.492 -5.186 -6.771 1.00 0.00 C ATOM 500 C ALA A 53 -6.348 -4.156 -5.994 1.00 0.00 C ATOM 501 O ALA A 53 -7.562 -4.297 -5.828 1.00 0.00 O ATOM 502 CB ALA A 53 -4.518 -5.886 -5.835 1.00 0.00 C ATOM 0 H ALA A 53 -3.709 -4.457 -7.595 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.166 -5.916 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.073 -6.405 -5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.925 -6.606 -6.399 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.857 -5.149 -5.380 1.00 0.00 H new ATOM 504 N LEU A 54 -5.693 -3.054 -5.637 1.00 0.00 N ATOM 505 CA LEU A 54 -6.283 -1.926 -4.895 1.00 0.00 C ATOM 506 C LEU A 54 -7.067 -0.930 -5.790 1.00 0.00 C ATOM 507 O LEU A 54 -7.558 0.083 -5.288 1.00 0.00 O ATOM 508 CB LEU A 54 -5.110 -1.261 -4.158 1.00 0.00 C ATOM 509 CG LEU A 54 -5.489 -0.458 -2.908 1.00 0.00 C ATOM 510 CD1 LEU A 54 -6.209 -1.342 -1.872 1.00 0.00 C ATOM 511 CD2 LEU A 54 -4.245 0.158 -2.276 1.00 0.00 C ATOM 0 H LEU A 54 -4.708 -2.910 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.044 -2.283 -4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.398 -2.035 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.596 -0.598 -4.853 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.170 0.335 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.464 -0.743 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.120 -1.749 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.553 -2.160 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.530 0.725 -1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.551 -0.633 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.764 0.823 -2.993 1.00 0.00 H new ATOM 513 N ASN A 55 -7.228 -1.246 -7.073 1.00 0.00 N ATOM 514 CA ASN A 55 -7.906 -0.387 -8.077 1.00 0.00 C ATOM 515 C ASN A 55 -7.395 1.067 -8.131 1.00 0.00 C ATOM 516 O ASN A 55 -8.146 2.028 -8.306 1.00 0.00 O ATOM 517 CB ASN A 55 -9.439 -0.459 -7.926 1.00 0.00 C ATOM 518 CG ASN A 55 -10.032 -1.683 -8.617 1.00 0.00 C ATOM 519 OD1 ASN A 55 -10.673 -1.605 -9.654 1.00 0.00 O ATOM 520 ND2 ASN A 55 -9.923 -2.842 -8.009 1.00 0.00 N ATOM 0 H ASN A 55 -6.888 -2.124 -7.466 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.635 -0.804 -9.047 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.697 -0.482 -6.867 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.886 0.443 -8.344 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.372 -3.669 -8.403 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.389 -2.915 -7.143 1.00 0.00 H new ATOM 522 N CYS A 56 -6.073 1.188 -8.009 1.00 0.00 N ATOM 523 CA CYS A 56 -5.359 2.479 -8.070 1.00 0.00 C ATOM 524 C CYS A 56 -4.104 2.432 -8.981 1.00 0.00 C ATOM 525 O CYS A 56 -3.878 1.483 -9.732 1.00 0.00 O ATOM 526 CB CYS A 56 -5.053 2.978 -6.646 1.00 0.00 C ATOM 527 SG CYS A 56 -3.847 1.948 -5.741 1.00 0.00 S ATOM 0 H CYS A 56 -5.455 0.390 -7.863 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.016 3.207 -8.545 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.673 3.998 -6.703 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.982 3.015 -6.078 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.653 2.447 -4.557 1.00 0.00 H new ATOM 529 N ASP A 57 -3.228 3.419 -8.774 1.00 0.00 N ATOM 530 CA ASP A 57 -2.127 3.761 -9.684 1.00 0.00 C ATOM 531 C ASP A 57 -0.747 3.422 -9.051 1.00 0.00 C ATOM 532 O ASP A 57 -0.483 3.869 -7.927 1.00 0.00 O ATOM 533 CB ASP A 57 -2.287 5.257 -9.940 1.00 0.00 C ATOM 534 CG ASP A 57 -1.379 5.816 -11.033 1.00 0.00 C ATOM 535 OD1 ASP A 57 -0.148 5.622 -10.895 1.00 0.00 O ATOM 536 OD2 ASP A 57 -1.918 6.397 -11.992 1.00 0.00 O ATOM 0 H ASP A 57 -3.264 4.018 -7.949 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.162 3.189 -10.611 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.324 5.457 -10.210 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.090 5.794 -9.012 1.00 0.00 H new