USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 598 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 11 TYR OH : rot -22:sc= -1.83 USER MOD Set 1.2: A 17 GLN :FLIP amide:sc= -1.02 F(o=-3.6,f=-2.9) USER MOD Single : A 1 GLU N :NH3+ -133:sc= 0.00243 (180deg=-0.572) USER MOD Single : A 2 SER OG : rot 180:sc= 0.746 USER MOD Single : A 4 LYS NZ :NH3+ -160:sc= -0.121 (180deg=-0.861) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 95:sc= 0.922 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.362 USER MOD Single : A 42 CYS SG : rot 180:sc= 0.0843 USER MOD Single : A 43 LYS NZ :NH3+ -123:sc= -1 (180deg=-2.92!) USER MOD Single : A 45 ASN : amide:sc= -0.0594 X(o=-0.059,f=-0.0072) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.4!) USER MOD Single : A 50 THR OG1 : rot 171:sc= 0.00658 USER MOD Single : A 59 THR OG1 : rot -145:sc= -1.01! USER MOD Single : A 62 SER OG : rot -99:sc= 0.973 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -56:sc= 0.618 USER MOD Single : A 69 THR OG1 : rot 26:sc= 0.0291 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.396 -35.845 13.959 1.00 0.00 N ATOM 2 CA GLU A 1 0.704 -35.503 12.686 1.00 0.00 C ATOM 3 C GLU A 1 0.069 -36.760 12.102 1.00 0.00 C ATOM 4 O GLU A 1 0.425 -37.877 12.478 1.00 0.00 O ATOM 5 CB GLU A 1 1.716 -34.921 11.697 1.00 0.00 C ATOM 6 CG GLU A 1 2.330 -33.648 12.282 1.00 0.00 C ATOM 7 CD GLU A 1 3.284 -33.019 11.273 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.557 -33.655 10.269 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.728 -31.909 11.520 1.00 0.00 O ATOM 0 H1 GLU A 1 1.140 -35.151 14.690 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.107 -36.795 14.267 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.425 -35.828 13.810 1.00 0.00 H new ATOM 0 HA GLU A 1 -0.074 -34.764 12.877 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.498 -35.651 11.489 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.227 -34.698 10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.543 -32.940 12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.864 -33.882 13.203 1.00 0.00 H new ATOM 18 N SER A 2 -0.872 -36.570 11.183 1.00 0.00 N ATOM 19 CA SER A 2 -1.552 -37.695 10.551 1.00 0.00 C ATOM 20 C SER A 2 -1.677 -37.467 9.045 1.00 0.00 C ATOM 21 O SER A 2 -1.536 -36.340 8.569 1.00 0.00 O ATOM 22 CB SER A 2 -2.943 -37.870 11.162 1.00 0.00 C ATOM 23 OG SER A 2 -3.922 -37.776 10.136 1.00 0.00 O ATOM 0 H SER A 2 -1.180 -35.653 10.860 1.00 0.00 H new ATOM 0 HA SER A 2 -0.964 -38.597 10.722 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.015 -38.836 11.661 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.119 -37.106 11.919 1.00 0.00 H new ATOM 0 HG SER A 2 -4.815 -37.889 10.524 1.00 0.00 H new ATOM 29 N PRO A 3 -1.937 -38.506 8.293 1.00 0.00 N ATOM 30 CA PRO A 3 -2.082 -38.408 6.811 1.00 0.00 C ATOM 31 C PRO A 3 -3.346 -37.656 6.406 1.00 0.00 C ATOM 32 O PRO A 3 -3.481 -37.217 5.263 1.00 0.00 O ATOM 33 CB PRO A 3 -2.141 -39.865 6.348 1.00 0.00 C ATOM 34 CG PRO A 3 -2.606 -40.643 7.534 1.00 0.00 C ATOM 35 CD PRO A 3 -2.122 -39.886 8.771 1.00 0.00 C ATOM 0 HA PRO A 3 -1.263 -37.849 6.359 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -2.826 -39.982 5.509 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.163 -40.210 6.012 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -3.692 -40.734 7.536 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.201 -41.655 7.516 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -2.852 -39.934 9.579 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -1.192 -40.303 9.156 1.00 0.00 H new ATOM 43 N LYS A 4 -4.271 -37.510 7.350 1.00 0.00 N ATOM 44 CA LYS A 4 -5.522 -36.811 7.080 1.00 0.00 C ATOM 45 C LYS A 4 -5.290 -35.305 7.016 1.00 0.00 C ATOM 46 O LYS A 4 -6.136 -34.557 6.528 1.00 0.00 O ATOM 47 CB LYS A 4 -6.542 -37.124 8.176 1.00 0.00 C ATOM 48 CG LYS A 4 -6.618 -38.636 8.395 1.00 0.00 C ATOM 49 CD LYS A 4 -7.087 -39.323 7.109 1.00 0.00 C ATOM 50 CE LYS A 4 -7.667 -40.697 7.450 1.00 0.00 C ATOM 51 NZ LYS A 4 -6.882 -41.306 8.561 1.00 0.00 N ATOM 0 H LYS A 4 -4.179 -37.864 8.302 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.906 -37.151 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.258 -36.627 9.103 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.522 -36.738 7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.641 -39.020 8.688 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.306 -38.861 9.210 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.839 -38.712 6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.253 -39.430 6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.713 -40.600 7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.638 -41.344 6.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.035 -42.335 8.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.871 -41.108 8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.191 -40.901 9.467 1.00 0.00 H new ATOM 65 N GLU A 5 -4.137 -34.868 7.510 1.00 0.00 N ATOM 66 CA GLU A 5 -3.805 -33.448 7.501 1.00 0.00 C ATOM 67 C GLU A 5 -3.029 -33.091 6.238 1.00 0.00 C ATOM 68 O GLU A 5 -2.181 -33.856 5.781 1.00 0.00 O ATOM 69 CB GLU A 5 -2.968 -33.098 8.732 1.00 0.00 C ATOM 70 CG GLU A 5 -2.827 -31.579 8.835 1.00 0.00 C ATOM 71 CD GLU A 5 -1.941 -31.217 10.022 1.00 0.00 C ATOM 72 OE1 GLU A 5 -1.455 -32.128 10.673 1.00 0.00 O ATOM 73 OE2 GLU A 5 -1.762 -30.035 10.264 1.00 0.00 O ATOM 0 H GLU A 5 -3.422 -35.470 7.918 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.733 -32.876 7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.441 -33.492 9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.984 -33.562 8.660 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.397 -31.182 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.809 -31.121 8.951 1.00 0.00 H new ATOM 80 N HIS A 6 -3.328 -31.923 5.678 1.00 0.00 N ATOM 81 CA HIS A 6 -2.652 -31.474 4.467 1.00 0.00 C ATOM 82 C HIS A 6 -1.558 -30.467 4.806 1.00 0.00 C ATOM 83 O HIS A 6 -1.684 -29.692 5.753 1.00 0.00 O ATOM 84 CB HIS A 6 -3.662 -30.839 3.512 1.00 0.00 C ATOM 85 CG HIS A 6 -4.001 -31.817 2.421 1.00 0.00 C ATOM 86 ND1 HIS A 6 -3.104 -32.143 1.415 1.00 0.00 N ATOM 87 CD2 HIS A 6 -5.134 -32.551 2.165 1.00 0.00 C ATOM 88 CE1 HIS A 6 -3.706 -33.036 0.609 1.00 0.00 C ATOM 89 NE2 HIS A 6 -4.945 -33.319 1.019 1.00 0.00 N ATOM 0 H HIS A 6 -4.028 -31.275 6.040 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.194 -32.338 3.985 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -4.564 -30.556 4.055 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -3.249 -29.927 3.082 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.034 -32.535 2.762 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.243 -33.471 -0.264 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -5.610 -33.960 0.586 1.00 0.00 H new ATOM 98 N ASP A 7 -0.481 -30.489 4.026 1.00 0.00 N ATOM 99 CA ASP A 7 0.634 -29.580 4.251 1.00 0.00 C ATOM 100 C ASP A 7 0.300 -28.151 3.805 1.00 0.00 C ATOM 101 O ASP A 7 0.482 -27.208 4.576 1.00 0.00 O ATOM 102 CB ASP A 7 1.875 -30.079 3.506 1.00 0.00 C ATOM 103 CG ASP A 7 2.954 -30.489 4.503 1.00 0.00 C ATOM 104 OD1 ASP A 7 2.824 -31.554 5.083 1.00 0.00 O ATOM 105 OD2 ASP A 7 3.895 -29.731 4.672 1.00 0.00 O ATOM 0 H ASP A 7 -0.359 -31.124 3.237 1.00 0.00 H new ATOM 0 HA ASP A 7 0.833 -29.559 5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.613 -30.927 2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.254 -29.296 2.849 1.00 0.00 H new ATOM 110 N PRO A 8 -0.170 -27.961 2.592 1.00 0.00 N ATOM 111 CA PRO A 8 -0.506 -26.602 2.082 1.00 0.00 C ATOM 112 C PRO A 8 -1.833 -26.077 2.630 1.00 0.00 C ATOM 113 O PRO A 8 -2.052 -24.867 2.683 1.00 0.00 O ATOM 114 CB PRO A 8 -0.566 -26.784 0.565 1.00 0.00 C ATOM 115 CG PRO A 8 -0.881 -28.227 0.336 1.00 0.00 C ATOM 116 CD PRO A 8 -0.433 -29.003 1.580 1.00 0.00 C ATOM 0 HA PRO A 8 0.229 -25.861 2.396 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.330 -26.143 0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.383 -26.513 0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.949 -28.363 0.164 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.366 -28.595 -0.551 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.205 -29.696 1.915 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.460 -29.595 1.378 1.00 0.00 H new ATOM 124 N PHE A 9 -2.711 -26.986 3.041 1.00 0.00 N ATOM 125 CA PHE A 9 -4.004 -26.585 3.585 1.00 0.00 C ATOM 126 C PHE A 9 -3.816 -25.619 4.750 1.00 0.00 C ATOM 127 O PHE A 9 -4.604 -24.691 4.934 1.00 0.00 O ATOM 128 CB PHE A 9 -4.782 -27.813 4.060 1.00 0.00 C ATOM 129 CG PHE A 9 -6.057 -27.373 4.739 1.00 0.00 C ATOM 130 CD1 PHE A 9 -7.200 -27.101 3.977 1.00 0.00 C ATOM 131 CD2 PHE A 9 -6.096 -27.237 6.132 1.00 0.00 C ATOM 132 CE1 PHE A 9 -8.382 -26.693 4.609 1.00 0.00 C ATOM 133 CE2 PHE A 9 -7.278 -26.830 6.763 1.00 0.00 C ATOM 134 CZ PHE A 9 -8.421 -26.558 6.001 1.00 0.00 C ATOM 0 H PHE A 9 -2.554 -27.993 3.009 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.567 -26.086 2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.013 -28.459 3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.173 -28.397 4.750 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.170 -27.206 2.902 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.214 -27.446 6.720 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.263 -26.483 4.021 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.308 -26.726 7.838 1.00 0.00 H new ATOM 0 HZ PHE A 9 -9.333 -26.244 6.488 1.00 0.00 H new ATOM 144 N THR A 10 -2.767 -25.845 5.534 1.00 0.00 N ATOM 145 CA THR A 10 -2.483 -24.991 6.681 1.00 0.00 C ATOM 146 C THR A 10 -2.350 -23.533 6.250 1.00 0.00 C ATOM 147 O THR A 10 -2.715 -22.623 6.995 1.00 0.00 O ATOM 148 CB THR A 10 -1.188 -25.446 7.359 1.00 0.00 C ATOM 149 OG1 THR A 10 -1.287 -26.824 7.689 1.00 0.00 O ATOM 150 CG2 THR A 10 -0.961 -24.629 8.631 1.00 0.00 C ATOM 0 H THR A 10 -2.103 -26.607 5.397 1.00 0.00 H new ATOM 0 HA THR A 10 -3.312 -25.072 7.384 1.00 0.00 H new ATOM 0 HB THR A 10 -0.349 -25.295 6.679 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.458 -27.117 8.122 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.039 -24.954 9.113 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.884 -23.572 8.376 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.798 -24.777 9.313 1.00 0.00 H new ATOM 158 N TYR A 11 -1.823 -23.321 5.048 1.00 0.00 N ATOM 159 CA TYR A 11 -1.641 -21.969 4.526 1.00 0.00 C ATOM 160 C TYR A 11 -2.681 -21.662 3.452 1.00 0.00 C ATOM 161 O TYR A 11 -2.898 -22.457 2.538 1.00 0.00 O ATOM 162 CB TYR A 11 -0.238 -21.829 3.933 1.00 0.00 C ATOM 163 CG TYR A 11 0.118 -20.366 3.814 1.00 0.00 C ATOM 164 CD1 TYR A 11 0.648 -19.685 4.917 1.00 0.00 C ATOM 165 CD2 TYR A 11 -0.077 -19.693 2.602 1.00 0.00 C ATOM 166 CE1 TYR A 11 0.982 -18.329 4.808 1.00 0.00 C ATOM 167 CE2 TYR A 11 0.258 -18.337 2.493 1.00 0.00 C ATOM 168 CZ TYR A 11 0.786 -17.656 3.595 1.00 0.00 C ATOM 169 OH TYR A 11 1.117 -16.319 3.487 1.00 0.00 O ATOM 0 H TYR A 11 -1.516 -24.063 4.419 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.765 -21.262 5.346 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.488 -22.340 4.566 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.197 -22.304 2.953 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.799 -20.205 5.851 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.485 -20.219 1.752 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.390 -17.803 5.658 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.109 -17.817 1.558 1.00 0.00 H new ATOM 0 HH TYR A 11 1.131 -15.913 4.379 1.00 0.00 H new ATOM 179 N ASP A 12 -3.317 -20.502 3.570 1.00 0.00 N ATOM 180 CA ASP A 12 -4.332 -20.095 2.604 1.00 0.00 C ATOM 181 C ASP A 12 -4.451 -18.574 2.566 1.00 0.00 C ATOM 182 O ASP A 12 -5.441 -18.030 2.077 1.00 0.00 O ATOM 183 CB ASP A 12 -5.683 -20.710 2.972 1.00 0.00 C ATOM 184 CG ASP A 12 -5.638 -22.220 2.765 1.00 0.00 C ATOM 185 OD1 ASP A 12 -5.126 -22.643 1.742 1.00 0.00 O ATOM 186 OD2 ASP A 12 -6.116 -22.932 3.633 1.00 0.00 O ATOM 0 H ASP A 12 -3.150 -19.830 4.319 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.033 -20.450 1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.925 -20.483 4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.471 -20.273 2.358 1.00 0.00 H new ATOM 191 N TYR A 13 -3.433 -17.897 3.084 1.00 0.00 N ATOM 192 CA TYR A 13 -3.423 -16.438 3.107 1.00 0.00 C ATOM 193 C TYR A 13 -3.020 -15.887 1.742 1.00 0.00 C ATOM 194 O TYR A 13 -2.429 -14.812 1.645 1.00 0.00 O ATOM 195 CB TYR A 13 -2.440 -15.944 4.170 1.00 0.00 C ATOM 196 CG TYR A 13 -2.933 -16.338 5.544 1.00 0.00 C ATOM 197 CD1 TYR A 13 -2.911 -17.682 5.938 1.00 0.00 C ATOM 198 CD2 TYR A 13 -3.413 -15.360 6.424 1.00 0.00 C ATOM 199 CE1 TYR A 13 -3.367 -18.046 7.210 1.00 0.00 C ATOM 200 CE2 TYR A 13 -3.869 -15.726 7.697 1.00 0.00 C ATOM 201 CZ TYR A 13 -3.846 -17.070 8.089 1.00 0.00 C ATOM 202 OH TYR A 13 -4.296 -17.430 9.343 1.00 0.00 O ATOM 0 H TYR A 13 -2.606 -18.332 3.493 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.426 -16.086 3.347 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.453 -16.370 3.992 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.336 -14.861 4.107 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.542 -18.437 5.260 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.432 -14.323 6.121 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.349 -19.082 7.513 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.238 -14.972 8.376 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.593 -16.631 9.826 1.00 0.00 H new ATOM 212 N GLN A 14 -3.332 -16.638 0.692 1.00 0.00 N ATOM 213 CA GLN A 14 -2.985 -16.227 -0.666 1.00 0.00 C ATOM 214 C GLN A 14 -3.468 -14.807 -0.961 1.00 0.00 C ATOM 215 O GLN A 14 -2.701 -13.970 -1.435 1.00 0.00 O ATOM 216 CB GLN A 14 -3.612 -17.193 -1.676 1.00 0.00 C ATOM 217 CG GLN A 14 -3.055 -18.599 -1.452 1.00 0.00 C ATOM 218 CD GLN A 14 -3.766 -19.592 -2.364 1.00 0.00 C ATOM 219 OE1 GLN A 14 -4.856 -19.308 -2.864 1.00 0.00 O ATOM 220 NE2 GLN A 14 -3.213 -20.746 -2.611 1.00 0.00 N ATOM 0 H GLN A 14 -3.822 -17.530 0.753 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.899 -16.246 -0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.696 -17.198 -1.565 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.397 -16.863 -2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.984 -18.611 -1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.188 -18.890 -0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.311 -20.978 -2.196 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.682 -21.417 -3.219 1.00 0.00 H new ATOM 229 N SER A 15 -4.743 -14.546 -0.693 1.00 0.00 N ATOM 230 CA SER A 15 -5.311 -13.226 -0.952 1.00 0.00 C ATOM 231 C SER A 15 -5.042 -12.264 0.202 1.00 0.00 C ATOM 232 O SER A 15 -4.928 -11.055 -0.001 1.00 0.00 O ATOM 233 CB SER A 15 -6.819 -13.346 -1.172 1.00 0.00 C ATOM 234 OG SER A 15 -7.446 -13.691 0.056 1.00 0.00 O ATOM 0 H SER A 15 -5.398 -15.223 -0.301 1.00 0.00 H new ATOM 0 HA SER A 15 -4.834 -12.827 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.220 -12.404 -1.546 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.029 -14.104 -1.927 1.00 0.00 H new ATOM 0 HG SER A 15 -8.413 -13.767 -0.081 1.00 0.00 H new ATOM 240 N LEU A 16 -4.956 -12.799 1.415 1.00 0.00 N ATOM 241 CA LEU A 16 -4.716 -11.966 2.588 1.00 0.00 C ATOM 242 C LEU A 16 -3.230 -11.650 2.745 1.00 0.00 C ATOM 243 O LEU A 16 -2.840 -10.884 3.626 1.00 0.00 O ATOM 244 CB LEU A 16 -5.224 -12.674 3.847 1.00 0.00 C ATOM 245 CG LEU A 16 -5.716 -11.633 4.853 1.00 0.00 C ATOM 246 CD1 LEU A 16 -7.165 -11.261 4.536 1.00 0.00 C ATOM 247 CD2 LEU A 16 -5.641 -12.213 6.265 1.00 0.00 C ATOM 0 H LEU A 16 -5.048 -13.796 1.611 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.256 -11.029 2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.033 -13.359 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.427 -13.273 4.287 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.089 -10.744 4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.515 -10.519 5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.223 -10.848 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.791 -12.151 4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.992 -11.471 6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.268 -13.102 6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.609 -12.480 6.494 1.00 0.00 H new ATOM 259 N GLN A 17 -2.402 -12.250 1.896 1.00 0.00 N ATOM 260 CA GLN A 17 -0.958 -12.026 1.965 1.00 0.00 C ATOM 261 C GLN A 17 -0.595 -10.610 1.515 1.00 0.00 C ATOM 262 O GLN A 17 0.120 -9.892 2.216 1.00 0.00 O ATOM 263 CB GLN A 17 -0.230 -13.044 1.084 1.00 0.00 C ATOM 264 CG GLN A 17 0.383 -14.140 1.962 1.00 0.00 C ATOM 265 CD GLN A 17 1.615 -13.602 2.681 1.00 0.00 C ATOM 266 OE1 GLN A 17 1.743 -13.792 3.966 1.00 0.00 O flip ATOM 267 NE2 GLN A 17 2.484 -12.995 2.056 1.00 0.00 N flip ATOM 0 H GLN A 17 -2.699 -12.889 1.159 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.648 -12.148 3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.925 -13.484 0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.550 -12.548 0.507 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.350 -14.487 2.690 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.655 -14.999 1.349 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.381 -12.848 1.052 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.307 -12.639 2.542 1.00 0.00 H new ATOM 276 N ILE A 18 -1.082 -10.219 0.342 1.00 0.00 N ATOM 277 CA ILE A 18 -0.794 -8.892 -0.195 1.00 0.00 C ATOM 278 C ILE A 18 -1.904 -7.907 0.164 1.00 0.00 C ATOM 279 O ILE A 18 -1.830 -6.727 -0.176 1.00 0.00 O ATOM 280 CB ILE A 18 -0.657 -8.971 -1.718 1.00 0.00 C ATOM 281 CG1 ILE A 18 -0.366 -10.416 -2.128 1.00 0.00 C ATOM 282 CG2 ILE A 18 0.489 -8.068 -2.179 1.00 0.00 C ATOM 283 CD1 ILE A 18 -0.020 -10.464 -3.617 1.00 0.00 C ATOM 0 H ILE A 18 -1.675 -10.798 -0.253 1.00 0.00 H new ATOM 0 HA ILE A 18 0.140 -8.539 0.243 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.586 -8.640 -2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.461 -10.813 -1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.233 -11.045 -1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.584 -8.126 -3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.281 -7.039 -1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.419 -8.395 -1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.187 -11.493 -3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.860 -10.084 -4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.860 -9.849 -3.806 1.00 0.00 H new ATOM 295 N GLY A 19 -2.934 -8.398 0.840 1.00 0.00 N ATOM 296 CA GLY A 19 -4.058 -7.550 1.224 1.00 0.00 C ATOM 297 C GLY A 19 -3.599 -6.303 1.978 1.00 0.00 C ATOM 298 O GLY A 19 -3.231 -5.296 1.372 1.00 0.00 O ATOM 0 H GLY A 19 -3.016 -9.372 1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.610 -7.253 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.746 -8.120 1.849 1.00 0.00 H new ATOM 302 N GLY A 20 -3.644 -6.374 3.304 1.00 0.00 N ATOM 303 CA GLY A 20 -3.252 -5.246 4.145 1.00 0.00 C ATOM 304 C GLY A 20 -2.030 -4.518 3.589 1.00 0.00 C ATOM 305 O GLY A 20 -1.909 -3.301 3.731 1.00 0.00 O ATOM 0 H GLY A 20 -3.948 -7.200 3.820 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.085 -4.547 4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.035 -5.602 5.152 1.00 0.00 H new ATOM 309 N LEU A 21 -1.121 -5.262 2.971 1.00 0.00 N ATOM 310 CA LEU A 21 0.093 -4.665 2.417 1.00 0.00 C ATOM 311 C LEU A 21 -0.232 -3.595 1.378 1.00 0.00 C ATOM 312 O LEU A 21 0.283 -2.478 1.443 1.00 0.00 O ATOM 313 CB LEU A 21 0.959 -5.749 1.771 1.00 0.00 C ATOM 314 CG LEU A 21 2.045 -6.192 2.752 1.00 0.00 C ATOM 315 CD1 LEU A 21 1.394 -6.699 4.040 1.00 0.00 C ATOM 316 CD2 LEU A 21 2.871 -7.317 2.125 1.00 0.00 C ATOM 0 H LEU A 21 -1.197 -6.271 2.840 1.00 0.00 H new ATOM 0 HA LEU A 21 0.634 -4.194 3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.341 -6.601 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.414 -5.368 0.857 1.00 0.00 H new ATOM 0 HG LEU A 21 2.694 -5.346 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.168 -7.015 4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.804 -5.900 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.745 -7.544 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.645 -7.633 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.221 -8.162 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.336 -6.959 1.207 1.00 0.00 H new ATOM 328 N VAL A 22 -1.073 -3.945 0.413 1.00 0.00 N ATOM 329 CA VAL A 22 -1.437 -3.007 -0.642 1.00 0.00 C ATOM 330 C VAL A 22 -2.287 -1.858 -0.098 1.00 0.00 C ATOM 331 O VAL A 22 -2.022 -0.691 -0.388 1.00 0.00 O ATOM 332 CB VAL A 22 -2.204 -3.740 -1.744 1.00 0.00 C ATOM 333 CG1 VAL A 22 -2.632 -2.741 -2.819 1.00 0.00 C ATOM 334 CG2 VAL A 22 -1.300 -4.802 -2.375 1.00 0.00 C ATOM 0 H VAL A 22 -1.512 -4.862 0.338 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.519 -2.585 -1.050 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.086 -4.217 -1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.179 -3.263 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.274 -1.981 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.749 -2.266 -3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.846 -5.325 -3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.419 -4.323 -2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.990 -5.516 -1.612 1.00 0.00 H new ATOM 344 N ILE A 23 -3.313 -2.191 0.677 1.00 0.00 N ATOM 345 CA ILE A 23 -4.196 -1.171 1.238 1.00 0.00 C ATOM 346 C ILE A 23 -3.427 -0.205 2.137 1.00 0.00 C ATOM 347 O ILE A 23 -3.601 1.011 2.048 1.00 0.00 O ATOM 348 CB ILE A 23 -5.313 -1.833 2.048 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.870 -3.035 1.281 1.00 0.00 C ATOM 350 CG2 ILE A 23 -6.435 -0.821 2.296 1.00 0.00 C ATOM 351 CD1 ILE A 23 -6.176 -2.636 -0.164 1.00 0.00 C ATOM 0 H ILE A 23 -3.554 -3.149 0.930 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.623 -0.608 0.408 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.910 -2.172 3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.149 -3.853 1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.776 -3.399 1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.230 -1.293 2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.041 0.031 2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.834 -0.479 1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.572 -3.497 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.913 -1.833 -0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.261 -2.294 -0.648 1.00 0.00 H new ATOM 363 N ALA A 24 -2.587 -0.753 3.007 1.00 0.00 N ATOM 364 CA ALA A 24 -1.810 0.073 3.923 1.00 0.00 C ATOM 365 C ALA A 24 -0.956 1.077 3.156 1.00 0.00 C ATOM 366 O ALA A 24 -0.898 2.256 3.507 1.00 0.00 O ATOM 367 CB ALA A 24 -0.905 -0.811 4.782 1.00 0.00 C ATOM 0 H ALA A 24 -2.427 -1.756 3.097 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.504 0.619 4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.328 -0.187 5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.516 -1.507 5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.226 -1.370 4.139 1.00 0.00 H new ATOM 373 N GLY A 25 -0.293 0.599 2.110 1.00 0.00 N ATOM 374 CA GLY A 25 0.559 1.460 1.301 1.00 0.00 C ATOM 375 C GLY A 25 -0.234 2.616 0.700 1.00 0.00 C ATOM 376 O GLY A 25 0.270 3.732 0.594 1.00 0.00 O ATOM 0 H GLY A 25 -0.328 -0.373 1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.370 1.852 1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.017 0.876 0.503 1.00 0.00 H new ATOM 380 N ILE A 26 -1.471 2.340 0.300 1.00 0.00 N ATOM 381 CA ILE A 26 -2.317 3.369 -0.298 1.00 0.00 C ATOM 382 C ILE A 26 -2.606 4.496 0.692 1.00 0.00 C ATOM 383 O ILE A 26 -2.573 5.671 0.329 1.00 0.00 O ATOM 384 CB ILE A 26 -3.632 2.754 -0.775 1.00 0.00 C ATOM 385 CG1 ILE A 26 -3.354 1.833 -1.965 1.00 0.00 C ATOM 386 CG2 ILE A 26 -4.590 3.867 -1.207 1.00 0.00 C ATOM 387 CD1 ILE A 26 -4.595 0.990 -2.262 1.00 0.00 C ATOM 0 H ILE A 26 -1.908 1.422 0.377 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.781 3.790 -1.148 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.083 2.182 0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.086 2.424 -2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.506 1.185 -1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.528 3.428 -1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.784 4.528 -0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.141 4.438 -2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.395 0.335 -3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.843 0.388 -1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.432 1.646 -2.500 1.00 0.00 H new ATOM 399 N LEU A 27 -2.897 4.135 1.937 1.00 0.00 N ATOM 400 CA LEU A 27 -3.198 5.137 2.958 1.00 0.00 C ATOM 401 C LEU A 27 -2.002 6.064 3.180 1.00 0.00 C ATOM 402 O LEU A 27 -2.153 7.282 3.228 1.00 0.00 O ATOM 403 CB LEU A 27 -3.567 4.444 4.276 1.00 0.00 C ATOM 404 CG LEU A 27 -4.110 5.472 5.283 1.00 0.00 C ATOM 405 CD1 LEU A 27 -5.438 6.065 4.792 1.00 0.00 C ATOM 406 CD2 LEU A 27 -4.341 4.780 6.629 1.00 0.00 C ATOM 0 H LEU A 27 -2.931 3.169 2.263 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.041 5.736 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.316 3.673 4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.691 3.945 4.691 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.383 6.277 5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.804 6.790 5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.283 6.560 3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.171 5.267 4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.726 5.503 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.063 3.973 6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.399 4.371 6.994 1.00 0.00 H new ATOM 418 N PHE A 28 -0.819 5.474 3.313 1.00 0.00 N ATOM 419 CA PHE A 28 0.406 6.237 3.528 1.00 0.00 C ATOM 420 C PHE A 28 0.810 6.991 2.264 1.00 0.00 C ATOM 421 O PHE A 28 1.304 8.107 2.341 1.00 0.00 O ATOM 422 CB PHE A 28 1.538 5.294 3.945 1.00 0.00 C ATOM 423 CG PHE A 28 1.495 5.084 5.442 1.00 0.00 C ATOM 424 CD1 PHE A 28 2.175 5.965 6.293 1.00 0.00 C ATOM 425 CD2 PHE A 28 0.776 4.008 5.980 1.00 0.00 C ATOM 426 CE1 PHE A 28 2.137 5.770 7.681 1.00 0.00 C ATOM 427 CE2 PHE A 28 0.739 3.814 7.367 1.00 0.00 C ATOM 428 CZ PHE A 28 1.419 4.695 8.216 1.00 0.00 C ATOM 0 H PHE A 28 -0.682 4.464 3.275 1.00 0.00 H new ATOM 0 HA PHE A 28 0.221 6.963 4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.438 4.338 3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.501 5.714 3.654 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.729 6.795 5.880 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.251 3.328 5.325 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.662 6.449 8.337 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.186 2.984 7.781 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.389 4.545 9.285 1.00 0.00 H new ATOM 438 N ILE A 29 0.591 6.377 1.105 1.00 0.00 N ATOM 439 CA ILE A 29 0.929 7.013 -0.170 1.00 0.00 C ATOM 440 C ILE A 29 0.039 8.228 -0.362 1.00 0.00 C ATOM 441 O ILE A 29 0.505 9.317 -0.699 1.00 0.00 O ATOM 442 CB ILE A 29 0.724 6.034 -1.327 1.00 0.00 C ATOM 443 CG1 ILE A 29 1.930 5.095 -1.420 1.00 0.00 C ATOM 444 CG2 ILE A 29 0.575 6.811 -2.638 1.00 0.00 C ATOM 445 CD1 ILE A 29 1.611 3.937 -2.365 1.00 0.00 C ATOM 0 H ILE A 29 0.184 5.446 1.019 1.00 0.00 H new ATOM 0 HA ILE A 29 1.976 7.315 -0.156 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.179 5.449 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.801 5.642 -1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.181 4.711 -0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.429 6.111 -3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.286 7.477 -2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.475 7.399 -2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.472 3.271 -2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.752 3.384 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.382 4.329 -3.356 1.00 0.00 H new ATOM 457 N LEU A 30 -1.238 8.038 -0.065 1.00 0.00 N ATOM 458 CA LEU A 30 -2.197 9.105 -0.113 1.00 0.00 C ATOM 459 C LEU A 30 -1.759 10.066 0.955 1.00 0.00 C ATOM 460 O LEU A 30 -1.900 11.282 0.848 1.00 0.00 O ATOM 461 CB LEU A 30 -3.603 8.567 0.187 1.00 0.00 C ATOM 462 CG LEU A 30 -4.659 9.609 -0.188 1.00 0.00 C ATOM 463 CD1 LEU A 30 -5.081 9.418 -1.646 1.00 0.00 C ATOM 464 CD2 LEU A 30 -5.882 9.439 0.717 1.00 0.00 C ATOM 0 H LEU A 30 -1.627 7.137 0.214 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.243 9.579 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.775 7.647 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.687 8.318 1.245 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.240 10.607 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.833 10.162 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.213 9.536 -2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.498 8.420 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.636 10.180 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.295 8.439 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.587 9.577 1.757 1.00 0.00 H new ATOM 476 N GLY A 31 -1.223 9.459 2.007 1.00 0.00 N ATOM 477 CA GLY A 31 -0.739 10.211 3.159 1.00 0.00 C ATOM 478 C GLY A 31 0.366 11.199 2.778 1.00 0.00 C ATOM 479 O GLY A 31 0.291 12.382 3.110 1.00 0.00 O ATOM 0 H GLY A 31 -1.112 8.448 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.569 10.753 3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.362 9.518 3.911 1.00 0.00 H new ATOM 483 N ILE A 32 1.398 10.705 2.094 1.00 0.00 N ATOM 484 CA ILE A 32 2.518 11.553 1.694 1.00 0.00 C ATOM 485 C ILE A 32 2.074 12.590 0.670 1.00 0.00 C ATOM 486 O ILE A 32 2.430 13.765 0.771 1.00 0.00 O ATOM 487 CB ILE A 32 3.641 10.694 1.106 1.00 0.00 C ATOM 488 CG1 ILE A 32 4.160 9.730 2.178 1.00 0.00 C ATOM 489 CG2 ILE A 32 4.786 11.596 0.639 1.00 0.00 C ATOM 490 CD1 ILE A 32 5.012 8.643 1.520 1.00 0.00 C ATOM 0 H ILE A 32 1.481 9.730 1.808 1.00 0.00 H new ATOM 0 HA ILE A 32 2.885 12.074 2.578 1.00 0.00 H new ATOM 0 HB ILE A 32 3.256 10.127 0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.751 10.274 2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.324 9.278 2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.585 10.983 0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.420 12.284 -0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.170 12.164 1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.381 7.958 2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.407 8.092 0.800 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.857 9.103 1.007 1.00 0.00 H new ATOM 502 N LEU A 33 1.289 12.157 -0.310 1.00 0.00 N ATOM 503 CA LEU A 33 0.802 13.073 -1.334 1.00 0.00 C ATOM 504 C LEU A 33 -0.065 14.149 -0.692 1.00 0.00 C ATOM 505 O LEU A 33 0.069 15.333 -0.995 1.00 0.00 O ATOM 506 CB LEU A 33 -0.016 12.310 -2.382 1.00 0.00 C ATOM 507 CG LEU A 33 0.885 11.334 -3.155 1.00 0.00 C ATOM 508 CD1 LEU A 33 0.029 10.508 -4.116 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.945 12.103 -3.956 1.00 0.00 C ATOM 0 H LEU A 33 0.980 11.191 -0.417 1.00 0.00 H new ATOM 0 HA LEU A 33 1.657 13.540 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.823 11.763 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.480 13.013 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 33 1.386 10.678 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.665 9.815 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.715 9.947 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.475 11.173 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.575 11.397 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.453 12.769 -4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.561 12.690 -3.275 1.00 0.00 H new ATOM 521 N ILE A 34 -0.953 13.722 0.197 1.00 0.00 N ATOM 522 CA ILE A 34 -1.844 14.659 0.883 1.00 0.00 C ATOM 523 C ILE A 34 -1.057 15.683 1.698 1.00 0.00 C ATOM 524 O ILE A 34 -1.367 16.874 1.672 1.00 0.00 O ATOM 525 CB ILE A 34 -2.794 13.904 1.816 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.951 13.327 1.000 1.00 0.00 C ATOM 527 CG2 ILE A 34 -3.351 14.863 2.875 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.728 12.325 1.855 1.00 0.00 C ATOM 0 H ILE A 34 -1.078 12.745 0.460 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.415 15.184 0.118 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.251 13.098 2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.612 14.128 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.570 12.838 0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.027 14.321 3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.529 15.279 3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.894 15.671 2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.553 11.913 1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.064 11.518 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.122 12.829 2.738 1.00 0.00 H new ATOM 540 N VAL A 35 -0.053 15.218 2.438 1.00 0.00 N ATOM 541 CA VAL A 35 0.743 16.118 3.268 1.00 0.00 C ATOM 542 C VAL A 35 1.360 17.235 2.430 1.00 0.00 C ATOM 543 O VAL A 35 1.218 18.414 2.755 1.00 0.00 O ATOM 544 CB VAL A 35 1.855 15.340 3.975 1.00 0.00 C ATOM 545 CG1 VAL A 35 2.863 16.320 4.578 1.00 0.00 C ATOM 546 CG2 VAL A 35 1.252 14.486 5.094 1.00 0.00 C ATOM 0 H VAL A 35 0.226 14.238 2.480 1.00 0.00 H new ATOM 0 HA VAL A 35 0.080 16.563 4.010 1.00 0.00 H new ATOM 0 HB VAL A 35 2.358 14.696 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.654 15.764 5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.296 16.930 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.358 16.964 5.298 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.045 13.932 5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.748 15.132 5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.533 13.785 4.670 1.00 0.00 H new ATOM 556 N LEU A 36 2.042 16.859 1.354 1.00 0.00 N ATOM 557 CA LEU A 36 2.674 17.844 0.481 1.00 0.00 C ATOM 558 C LEU A 36 1.618 18.696 -0.218 1.00 0.00 C ATOM 559 O LEU A 36 1.843 19.872 -0.504 1.00 0.00 O ATOM 560 CB LEU A 36 3.539 17.136 -0.563 1.00 0.00 C ATOM 561 CG LEU A 36 4.550 16.223 0.140 1.00 0.00 C ATOM 562 CD1 LEU A 36 5.376 15.477 -0.907 1.00 0.00 C ATOM 563 CD2 LEU A 36 5.487 17.059 1.019 1.00 0.00 C ATOM 0 H LEU A 36 2.171 15.889 1.066 1.00 0.00 H new ATOM 0 HA LEU A 36 3.302 18.494 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.911 16.551 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.062 17.871 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 36 4.012 15.509 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.095 14.828 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.715 14.875 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.908 16.196 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.202 16.403 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.023 17.777 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.903 17.592 1.769 1.00 0.00 H new ATOM 575 N SER A 37 0.469 18.089 -0.493 1.00 0.00 N ATOM 576 CA SER A 37 -0.620 18.792 -1.164 1.00 0.00 C ATOM 577 C SER A 37 -1.119 19.966 -0.326 1.00 0.00 C ATOM 578 O SER A 37 -1.506 21.001 -0.866 1.00 0.00 O ATOM 579 CB SER A 37 -1.775 17.828 -1.430 1.00 0.00 C ATOM 580 OG SER A 37 -1.321 16.772 -2.266 1.00 0.00 O ATOM 0 H SER A 37 0.267 17.116 -0.263 1.00 0.00 H new ATOM 0 HA SER A 37 -0.239 19.181 -2.108 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.153 17.426 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.602 18.355 -1.907 1.00 0.00 H new ATOM 0 HG SER A 37 -1.054 16.009 -1.713 1.00 0.00 H new ATOM 586 N ARG A 38 -1.121 19.797 0.993 1.00 0.00 N ATOM 587 CA ARG A 38 -1.590 20.853 1.887 1.00 0.00 C ATOM 588 C ARG A 38 -0.798 22.137 1.667 1.00 0.00 C ATOM 589 O ARG A 38 -1.347 23.237 1.746 1.00 0.00 O ATOM 590 CB ARG A 38 -1.440 20.409 3.343 1.00 0.00 C ATOM 591 CG ARG A 38 -2.495 19.353 3.674 1.00 0.00 C ATOM 592 CD ARG A 38 -2.259 18.825 5.090 1.00 0.00 C ATOM 593 NE ARG A 38 -3.513 18.785 5.833 1.00 0.00 N ATOM 594 CZ ARG A 38 -3.637 18.042 6.928 1.00 0.00 C ATOM 595 NH1 ARG A 38 -2.628 17.332 7.352 1.00 0.00 N ATOM 596 NH2 ARG A 38 -4.767 18.025 7.581 1.00 0.00 N ATOM 0 H ARG A 38 -0.807 18.948 1.464 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.641 21.044 1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.442 20.003 3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.549 21.266 4.007 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.493 19.784 3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.444 18.535 2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.824 17.827 5.045 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.542 19.462 5.608 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.307 19.336 5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.744 17.347 6.843 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.723 16.762 8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.555 18.582 7.251 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.862 17.455 8.421 1.00 0.00 H new ATOM 610 N ARG A 39 0.492 21.992 1.392 1.00 0.00 N ATOM 611 CA ARG A 39 1.349 23.149 1.163 1.00 0.00 C ATOM 612 C ARG A 39 0.855 23.952 -0.039 1.00 0.00 C ATOM 613 O ARG A 39 1.004 25.172 -0.085 1.00 0.00 O ATOM 614 CB ARG A 39 2.789 22.689 0.922 1.00 0.00 C ATOM 615 CG ARG A 39 3.748 23.853 1.181 1.00 0.00 C ATOM 616 CD ARG A 39 4.184 23.847 2.649 1.00 0.00 C ATOM 617 NE ARG A 39 4.865 25.094 2.975 1.00 0.00 N ATOM 618 CZ ARG A 39 4.183 26.185 3.315 1.00 0.00 C ATOM 619 NH1 ARG A 39 2.879 26.150 3.367 1.00 0.00 N ATOM 620 NH2 ARG A 39 4.817 27.288 3.600 1.00 0.00 N ATOM 0 H ARG A 39 0.966 21.091 1.322 1.00 0.00 H new ATOM 0 HA ARG A 39 1.316 23.787 2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.029 21.853 1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.901 22.332 -0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.620 23.769 0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.261 24.798 0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.315 23.719 3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.847 23.002 2.836 1.00 0.00 H new ATOM 0 HE ARG A 39 5.884 25.131 2.942 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.383 25.286 3.147 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.356 26.986 3.628 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.836 27.315 3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.294 28.124 3.861 1.00 0.00 H new ATOM 634 N CYS A 40 0.272 23.257 -1.010 1.00 0.00 N ATOM 635 CA CYS A 40 -0.236 23.916 -2.209 1.00 0.00 C ATOM 636 C CYS A 40 -1.302 24.951 -1.854 1.00 0.00 C ATOM 637 O CYS A 40 -1.358 26.024 -2.454 1.00 0.00 O ATOM 638 CB CYS A 40 -0.830 22.878 -3.164 1.00 0.00 C ATOM 639 SG CYS A 40 0.365 21.543 -3.420 1.00 0.00 S ATOM 0 H CYS A 40 0.140 22.246 -0.992 1.00 0.00 H new ATOM 0 HA CYS A 40 0.596 24.426 -2.694 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.757 22.478 -2.753 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.080 23.345 -4.117 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.139 20.659 -4.229 1.00 0.00 H new ATOM 645 N ARG A 41 -2.148 24.623 -0.883 1.00 0.00 N ATOM 646 CA ARG A 41 -3.206 25.538 -0.467 1.00 0.00 C ATOM 647 C ARG A 41 -2.621 26.863 0.007 1.00 0.00 C ATOM 648 O ARG A 41 -3.101 27.936 -0.363 1.00 0.00 O ATOM 649 CB ARG A 41 -4.015 24.925 0.679 1.00 0.00 C ATOM 650 CG ARG A 41 -4.834 23.737 0.174 1.00 0.00 C ATOM 651 CD ARG A 41 -5.573 23.105 1.356 1.00 0.00 C ATOM 652 NE ARG A 41 -6.527 22.107 0.890 1.00 0.00 N ATOM 653 CZ ARG A 41 -7.747 22.454 0.494 1.00 0.00 C ATOM 654 NH1 ARG A 41 -8.106 23.708 0.513 1.00 0.00 N ATOM 655 NH2 ARG A 41 -8.586 21.541 0.084 1.00 0.00 N ATOM 0 H ARG A 41 -2.123 23.740 -0.373 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.851 25.714 -1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.344 24.601 1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.678 25.676 1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.546 24.065 -0.584 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.181 23.003 -0.298 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.856 22.642 2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.094 23.878 1.921 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.253 21.125 0.867 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.450 24.421 0.832 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.042 23.975 0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.305 20.561 0.068 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.522 21.808 -0.220 1.00 0.00 H new ATOM 669 N CYS A 42 -1.595 26.775 0.844 1.00 0.00 N ATOM 670 CA CYS A 42 -0.957 27.966 1.393 1.00 0.00 C ATOM 671 C CYS A 42 0.002 28.605 0.387 1.00 0.00 C ATOM 672 O CYS A 42 0.197 29.820 0.393 1.00 0.00 O ATOM 673 CB CYS A 42 -0.198 27.597 2.675 1.00 0.00 C ATOM 674 SG CYS A 42 -0.621 25.902 3.165 1.00 0.00 S ATOM 0 H CYS A 42 -1.187 25.894 1.157 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.736 28.694 1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.876 27.682 2.511 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.454 28.292 3.474 1.00 0.00 H new ATOM 0 HG CYS A 42 0.024 25.590 4.250 1.00 0.00 H new ATOM 680 N LYS A 43 0.604 27.785 -0.469 1.00 0.00 N ATOM 681 CA LYS A 43 1.547 28.295 -1.464 1.00 0.00 C ATOM 682 C LYS A 43 0.824 28.934 -2.649 1.00 0.00 C ATOM 683 O LYS A 43 1.365 29.825 -3.304 1.00 0.00 O ATOM 684 CB LYS A 43 2.444 27.164 -1.970 1.00 0.00 C ATOM 685 CG LYS A 43 3.641 27.002 -1.032 1.00 0.00 C ATOM 686 CD LYS A 43 4.417 25.736 -1.406 1.00 0.00 C ATOM 687 CE LYS A 43 4.930 25.848 -2.844 1.00 0.00 C ATOM 688 NZ LYS A 43 3.895 25.327 -3.781 1.00 0.00 N ATOM 0 H LYS A 43 0.460 26.776 -0.496 1.00 0.00 H new ATOM 0 HA LYS A 43 2.153 29.059 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.879 26.233 -2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.788 27.383 -2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.292 27.874 -1.102 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.301 26.940 0.002 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.254 25.596 -0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.774 24.862 -1.307 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.160 26.887 -3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.856 25.283 -2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.301 24.560 -4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.087 24.962 -3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.574 26.094 -4.405 1.00 0.00 H new ATOM 702 N PHE A 44 -0.388 28.469 -2.932 1.00 0.00 N ATOM 703 CA PHE A 44 -1.148 29.003 -4.058 1.00 0.00 C ATOM 704 C PHE A 44 -1.520 30.466 -3.836 1.00 0.00 C ATOM 705 O PHE A 44 -1.372 31.293 -4.736 1.00 0.00 O ATOM 706 CB PHE A 44 -2.427 28.192 -4.267 1.00 0.00 C ATOM 707 CG PHE A 44 -3.386 28.999 -5.111 1.00 0.00 C ATOM 708 CD1 PHE A 44 -3.251 29.015 -6.505 1.00 0.00 C ATOM 709 CD2 PHE A 44 -4.404 29.740 -4.498 1.00 0.00 C ATOM 710 CE1 PHE A 44 -4.133 29.772 -7.285 1.00 0.00 C ATOM 711 CE2 PHE A 44 -5.286 30.496 -5.279 1.00 0.00 C ATOM 712 CZ PHE A 44 -5.151 30.511 -6.672 1.00 0.00 C ATOM 0 H PHE A 44 -0.861 27.734 -2.406 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.514 28.932 -4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.198 27.246 -4.757 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.882 27.951 -3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.466 28.443 -6.978 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.509 29.728 -3.423 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.028 29.786 -8.360 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.071 31.068 -4.807 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.833 31.093 -7.274 1.00 0.00 H new ATOM 722 N ASN A 45 -2.012 30.777 -2.643 1.00 0.00 N ATOM 723 CA ASN A 45 -2.413 32.145 -2.330 1.00 0.00 C ATOM 724 C ASN A 45 -1.200 32.998 -1.972 1.00 0.00 C ATOM 725 O ASN A 45 -0.604 32.832 -0.908 1.00 0.00 O ATOM 726 CB ASN A 45 -3.404 32.147 -1.165 1.00 0.00 C ATOM 727 CG ASN A 45 -4.784 31.721 -1.656 1.00 0.00 C ATOM 728 OD1 ASN A 45 -5.308 30.695 -1.225 1.00 0.00 O ATOM 729 ND2 ASN A 45 -5.407 32.454 -2.537 1.00 0.00 N ATOM 0 H ASN A 45 -2.142 30.109 -1.883 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.890 32.571 -3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.061 31.469 -0.384 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.457 33.142 -0.723 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.330 32.177 -2.870 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.971 33.304 -2.893 1.00 0.00 H new ATOM 736 N GLN A 46 -0.847 33.914 -2.869 1.00 0.00 N ATOM 737 CA GLN A 46 0.292 34.795 -2.640 1.00 0.00 C ATOM 738 C GLN A 46 0.013 35.730 -1.470 1.00 0.00 C ATOM 739 O GLN A 46 0.922 36.107 -0.733 1.00 0.00 O ATOM 740 CB GLN A 46 0.581 35.619 -3.898 1.00 0.00 C ATOM 741 CG GLN A 46 -0.721 36.224 -4.429 1.00 0.00 C ATOM 742 CD GLN A 46 -0.419 37.200 -5.562 1.00 0.00 C ATOM 743 OE1 GLN A 46 -0.163 38.378 -5.315 1.00 0.00 O ATOM 744 NE2 GLN A 46 -0.435 36.777 -6.796 1.00 0.00 N ATOM 0 H GLN A 46 -1.330 34.065 -3.755 1.00 0.00 H new ATOM 0 HA GLN A 46 1.161 34.181 -2.404 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.295 36.411 -3.670 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.038 34.988 -4.661 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.380 35.433 -4.786 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.247 36.739 -3.625 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.648 35.800 -6.997 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.235 37.423 -7.559 1.00 0.00 H new ATOM 753 N GLN A 47 -1.251 36.101 -1.308 1.00 0.00 N ATOM 754 CA GLN A 47 -1.642 36.991 -0.224 1.00 0.00 C ATOM 755 C GLN A 47 -1.515 36.282 1.122 1.00 0.00 C ATOM 756 O GLN A 47 -1.147 36.894 2.124 1.00 0.00 O ATOM 757 CB GLN A 47 -3.087 37.453 -0.427 1.00 0.00 C ATOM 758 CG GLN A 47 -4.016 36.237 -0.412 1.00 0.00 C ATOM 759 CD GLN A 47 -5.425 36.650 -0.823 1.00 0.00 C ATOM 760 OE1 GLN A 47 -5.719 36.756 -2.015 1.00 0.00 O ATOM 761 NE2 GLN A 47 -6.320 36.890 0.096 1.00 0.00 N ATOM 0 H GLN A 47 -2.018 35.801 -1.910 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.979 37.857 -0.229 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.371 38.151 0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.181 37.985 -1.374 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.639 35.473 -1.092 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.034 35.795 0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.075 36.802 1.082 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.265 37.166 -0.172 1.00 0.00 H new ATOM 770 N GLN A 48 -1.826 34.988 1.137 1.00 0.00 N ATOM 771 CA GLN A 48 -1.746 34.204 2.365 1.00 0.00 C ATOM 772 C GLN A 48 -0.317 34.178 2.898 1.00 0.00 C ATOM 773 O GLN A 48 -0.092 34.278 4.104 1.00 0.00 O ATOM 774 CB GLN A 48 -2.220 32.773 2.100 1.00 0.00 C ATOM 775 CG GLN A 48 -2.426 32.045 3.430 1.00 0.00 C ATOM 776 CD GLN A 48 -3.665 32.586 4.136 1.00 0.00 C ATOM 777 OE1 GLN A 48 -4.653 32.924 3.484 1.00 0.00 O ATOM 778 NE2 GLN A 48 -3.674 32.684 5.438 1.00 0.00 N ATOM 0 H GLN A 48 -2.134 34.464 0.318 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.389 34.670 3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.151 32.787 1.534 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.486 32.243 1.494 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.536 30.975 3.255 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.550 32.176 4.065 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.854 32.403 5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.501 33.041 5.917 1.00 0.00 H new ATOM 787 N ARG A 49 0.647 34.038 1.992 1.00 0.00 N ATOM 788 CA ARG A 49 2.050 33.997 2.386 1.00 0.00 C ATOM 789 C ARG A 49 2.939 34.494 1.247 1.00 0.00 C ATOM 790 O ARG A 49 2.722 35.581 0.710 1.00 0.00 O ATOM 791 CB ARG A 49 2.438 32.566 2.766 1.00 0.00 C ATOM 792 CG ARG A 49 3.741 32.584 3.565 1.00 0.00 C ATOM 793 CD ARG A 49 3.423 32.701 5.057 1.00 0.00 C ATOM 794 NE ARG A 49 4.593 33.174 5.789 1.00 0.00 N ATOM 795 CZ ARG A 49 4.531 33.426 7.094 1.00 0.00 C ATOM 796 NH1 ARG A 49 3.413 33.245 7.741 1.00 0.00 N ATOM 797 NH2 ARG A 49 5.590 33.852 7.727 1.00 0.00 N ATOM 0 H ARG A 49 0.484 33.952 0.989 1.00 0.00 H new ATOM 0 HA ARG A 49 2.193 34.650 3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.644 32.107 3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.558 31.960 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.310 31.674 3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.363 33.421 3.248 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.590 33.389 5.205 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.110 31.732 5.446 1.00 0.00 H new ATOM 0 HE ARG A 49 5.473 33.314 5.292 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.586 32.910 7.247 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.366 33.438 8.741 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.465 33.992 7.221 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.543 34.045 8.727 1.00 0.00 H new ATOM 811 N THR A 50 3.939 33.698 0.880 1.00 0.00 N ATOM 812 CA THR A 50 4.845 34.076 -0.199 1.00 0.00 C ATOM 813 C THR A 50 4.203 33.799 -1.556 1.00 0.00 C ATOM 814 O THR A 50 3.362 32.910 -1.684 1.00 0.00 O ATOM 815 CB THR A 50 6.156 33.294 -0.081 1.00 0.00 C ATOM 816 OG1 THR A 50 5.878 31.902 -0.084 1.00 0.00 O ATOM 817 CG2 THR A 50 6.861 33.673 1.222 1.00 0.00 C ATOM 0 H THR A 50 4.141 32.795 1.310 1.00 0.00 H new ATOM 0 HA THR A 50 5.053 35.143 -0.118 1.00 0.00 H new ATOM 0 HB THR A 50 6.802 33.537 -0.925 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.717 31.401 -0.155 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.794 33.116 1.306 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.075 34.742 1.222 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.217 33.431 2.068 1.00 0.00 H new ATOM 825 N GLY A 51 4.604 34.571 -2.564 1.00 0.00 N ATOM 826 CA GLY A 51 4.061 34.406 -3.909 1.00 0.00 C ATOM 827 C GLY A 51 5.085 33.765 -4.840 1.00 0.00 C ATOM 828 O GLY A 51 5.667 34.437 -5.692 1.00 0.00 O ATOM 0 H GLY A 51 5.299 35.312 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.164 33.788 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.762 35.376 -4.305 1.00 0.00 H new ATOM 832 N GLU A 52 5.298 32.463 -4.673 1.00 0.00 N ATOM 833 CA GLU A 52 6.252 31.739 -5.507 1.00 0.00 C ATOM 834 C GLU A 52 5.513 30.953 -6.594 1.00 0.00 C ATOM 835 O GLU A 52 4.330 30.649 -6.444 1.00 0.00 O ATOM 836 CB GLU A 52 7.077 30.777 -4.651 1.00 0.00 C ATOM 837 CG GLU A 52 6.692 30.940 -3.180 1.00 0.00 C ATOM 838 CD GLU A 52 7.557 30.033 -2.311 1.00 0.00 C ATOM 839 OE1 GLU A 52 8.747 29.956 -2.572 1.00 0.00 O ATOM 840 OE2 GLU A 52 7.018 29.428 -1.400 1.00 0.00 O ATOM 0 H GLU A 52 4.826 31.891 -3.973 1.00 0.00 H new ATOM 0 HA GLU A 52 6.919 32.461 -5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.904 29.750 -4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.140 30.977 -4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.819 31.979 -2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.639 30.694 -3.042 1.00 0.00 H new ATOM 847 N PRO A 53 6.175 30.619 -7.676 1.00 0.00 N ATOM 848 CA PRO A 53 5.548 29.856 -8.790 1.00 0.00 C ATOM 849 C PRO A 53 4.600 28.771 -8.283 1.00 0.00 C ATOM 850 O PRO A 53 4.889 28.096 -7.295 1.00 0.00 O ATOM 851 CB PRO A 53 6.745 29.239 -9.513 1.00 0.00 C ATOM 852 CG PRO A 53 7.894 30.160 -9.253 1.00 0.00 C ATOM 853 CD PRO A 53 7.588 30.926 -7.961 1.00 0.00 C ATOM 0 HA PRO A 53 4.933 30.489 -9.429 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.954 28.237 -9.139 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.552 29.146 -10.582 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.822 29.597 -9.154 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.028 30.851 -10.086 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.236 30.604 -7.146 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.744 31.997 -8.088 1.00 0.00 H new ATOM 861 N ASP A 54 3.471 28.611 -8.968 1.00 0.00 N ATOM 862 CA ASP A 54 2.485 27.606 -8.584 1.00 0.00 C ATOM 863 C ASP A 54 2.504 26.430 -9.556 1.00 0.00 C ATOM 864 O ASP A 54 2.904 26.572 -10.710 1.00 0.00 O ATOM 865 CB ASP A 54 1.088 28.230 -8.569 1.00 0.00 C ATOM 866 CG ASP A 54 0.735 28.754 -9.957 1.00 0.00 C ATOM 867 OD1 ASP A 54 1.459 28.441 -10.889 1.00 0.00 O ATOM 868 OD2 ASP A 54 -0.253 29.460 -10.069 1.00 0.00 O ATOM 0 H ASP A 54 3.217 29.162 -9.788 1.00 0.00 H new ATOM 0 HA ASP A 54 2.737 27.242 -7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.353 27.489 -8.253 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.052 29.043 -7.844 1.00 0.00 H new ATOM 873 N GLU A 55 2.066 25.268 -9.079 1.00 0.00 N ATOM 874 CA GLU A 55 2.033 24.074 -9.916 1.00 0.00 C ATOM 875 C GLU A 55 0.649 23.894 -10.535 1.00 0.00 C ATOM 876 O GLU A 55 0.297 22.804 -10.988 1.00 0.00 O ATOM 877 CB GLU A 55 2.379 22.838 -9.082 1.00 0.00 C ATOM 878 CG GLU A 55 3.793 22.978 -8.513 1.00 0.00 C ATOM 879 CD GLU A 55 4.817 22.957 -9.645 1.00 0.00 C ATOM 880 OE1 GLU A 55 4.463 22.524 -10.729 1.00 0.00 O ATOM 881 OE2 GLU A 55 5.939 23.373 -9.409 1.00 0.00 O ATOM 0 H GLU A 55 1.732 25.129 -8.125 1.00 0.00 H new ATOM 0 HA GLU A 55 2.768 24.193 -10.712 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.660 22.722 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.312 21.941 -9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.878 23.909 -7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.995 22.166 -7.814 1.00 0.00 H new ATOM 888 N GLU A 56 -0.131 24.971 -10.545 1.00 0.00 N ATOM 889 CA GLU A 56 -1.479 24.929 -11.104 1.00 0.00 C ATOM 890 C GLU A 56 -2.430 24.236 -10.136 1.00 0.00 C ATOM 891 O GLU A 56 -3.613 24.062 -10.432 1.00 0.00 O ATOM 892 CB GLU A 56 -1.476 24.184 -12.443 1.00 0.00 C ATOM 893 CG GLU A 56 -2.584 24.741 -13.341 1.00 0.00 C ATOM 894 CD GLU A 56 -2.634 23.965 -14.653 1.00 0.00 C ATOM 895 OE1 GLU A 56 -1.595 23.487 -15.075 1.00 0.00 O ATOM 896 OE2 GLU A 56 -3.712 23.860 -15.216 1.00 0.00 O ATOM 0 H GLU A 56 0.145 25.880 -10.174 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.817 25.953 -11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.508 24.295 -12.931 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.629 23.117 -12.278 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.545 24.672 -12.832 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.404 25.797 -13.541 1.00 0.00 H new ATOM 903 N GLU A 57 -1.903 23.847 -8.978 1.00 0.00 N ATOM 904 CA GLU A 57 -2.705 23.175 -7.961 1.00 0.00 C ATOM 905 C GLU A 57 -2.934 24.097 -6.772 1.00 0.00 C ATOM 906 O GLU A 57 -2.285 25.136 -6.647 1.00 0.00 O ATOM 907 CB GLU A 57 -1.999 21.900 -7.496 1.00 0.00 C ATOM 908 CG GLU A 57 -1.808 20.961 -8.688 1.00 0.00 C ATOM 909 CD GLU A 57 -3.162 20.476 -9.194 1.00 0.00 C ATOM 910 OE1 GLU A 57 -4.127 20.593 -8.454 1.00 0.00 O ATOM 911 OE2 GLU A 57 -3.219 19.994 -10.314 1.00 0.00 O ATOM 0 H GLU A 57 -0.926 23.986 -8.721 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.670 22.914 -8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.033 22.146 -7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.587 21.407 -6.722 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.276 21.478 -9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.194 20.109 -8.395 1.00 0.00 H new ATOM 918 N GLY A 58 -3.865 23.708 -5.906 1.00 0.00 N ATOM 919 CA GLY A 58 -4.190 24.501 -4.726 1.00 0.00 C ATOM 920 C GLY A 58 -5.686 24.782 -4.672 1.00 0.00 C ATOM 921 O GLY A 58 -6.468 23.945 -4.221 1.00 0.00 O ATOM 0 H GLY A 58 -4.407 22.849 -5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.880 23.970 -3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.637 25.440 -4.747 1.00 0.00 H new ATOM 925 N THR A 59 -6.079 25.959 -5.147 1.00 0.00 N ATOM 926 CA THR A 59 -7.489 26.332 -5.159 1.00 0.00 C ATOM 927 C THR A 59 -8.300 25.245 -5.852 1.00 0.00 C ATOM 928 O THR A 59 -9.530 25.237 -5.798 1.00 0.00 O ATOM 929 CB THR A 59 -7.674 27.659 -5.901 1.00 0.00 C ATOM 930 OG1 THR A 59 -6.404 28.264 -6.099 1.00 0.00 O ATOM 931 CG2 THR A 59 -8.565 28.597 -5.083 1.00 0.00 C ATOM 0 H THR A 59 -5.448 26.665 -5.525 1.00 0.00 H new ATOM 0 HA THR A 59 -7.835 26.446 -4.132 1.00 0.00 H new ATOM 0 HB THR A 59 -8.148 27.470 -6.864 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.491 29.238 -6.029 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.691 29.538 -5.618 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.539 28.133 -4.931 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.100 28.789 -4.116 1.00 0.00 H new ATOM 939 N PHE A 60 -7.594 24.321 -6.497 1.00 0.00 N ATOM 940 CA PHE A 60 -8.249 23.220 -7.193 1.00 0.00 C ATOM 941 C PHE A 60 -8.884 22.292 -6.174 1.00 0.00 C ATOM 942 O PHE A 60 -10.026 21.859 -6.324 1.00 0.00 O ATOM 943 CB PHE A 60 -7.231 22.447 -8.034 1.00 0.00 C ATOM 944 CG PHE A 60 -7.927 21.316 -8.754 1.00 0.00 C ATOM 945 CD1 PHE A 60 -8.697 21.578 -9.894 1.00 0.00 C ATOM 946 CD2 PHE A 60 -7.802 20.004 -8.280 1.00 0.00 C ATOM 947 CE1 PHE A 60 -9.342 20.528 -10.559 1.00 0.00 C ATOM 948 CE2 PHE A 60 -8.447 18.955 -8.945 1.00 0.00 C ATOM 949 CZ PHE A 60 -9.218 19.217 -10.084 1.00 0.00 C ATOM 0 H PHE A 60 -6.576 24.313 -6.552 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.018 23.619 -7.855 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.757 23.114 -8.754 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.440 22.054 -7.396 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.793 22.589 -10.260 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.208 19.802 -7.401 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -9.935 20.730 -11.439 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -8.350 17.943 -8.580 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.717 18.408 -10.596 1.00 0.00 H new ATOM 959 N ARG A 61 -8.129 22.019 -5.122 1.00 0.00 N ATOM 960 CA ARG A 61 -8.598 21.170 -4.043 1.00 0.00 C ATOM 961 C ARG A 61 -9.836 21.798 -3.410 1.00 0.00 C ATOM 962 O ARG A 61 -10.736 21.102 -2.943 1.00 0.00 O ATOM 963 CB ARG A 61 -7.479 21.020 -3.002 1.00 0.00 C ATOM 964 CG ARG A 61 -7.604 19.693 -2.244 1.00 0.00 C ATOM 965 CD ARG A 61 -6.363 19.509 -1.370 1.00 0.00 C ATOM 966 NE ARG A 61 -6.524 18.359 -0.489 1.00 0.00 N ATOM 967 CZ ARG A 61 -5.666 18.129 0.501 1.00 0.00 C ATOM 968 NH1 ARG A 61 -4.661 18.938 0.695 1.00 0.00 N ATOM 969 NH2 ARG A 61 -5.830 17.094 1.278 1.00 0.00 N ATOM 0 H ARG A 61 -7.182 22.377 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.862 20.184 -4.426 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.509 21.070 -3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.520 21.850 -2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.503 19.693 -1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.698 18.864 -2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.484 19.371 -2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.192 20.408 -0.777 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.306 17.721 -0.634 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.533 19.747 0.087 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.003 18.761 1.454 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.616 16.462 1.126 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.172 16.917 2.037 1.00 0.00 H new ATOM 983 N SER A 62 -9.863 23.130 -3.403 1.00 0.00 N ATOM 984 CA SER A 62 -10.981 23.870 -2.830 1.00 0.00 C ATOM 985 C SER A 62 -12.279 23.561 -3.571 1.00 0.00 C ATOM 986 O SER A 62 -13.350 23.554 -2.972 1.00 0.00 O ATOM 987 CB SER A 62 -10.704 25.373 -2.897 1.00 0.00 C ATOM 988 OG SER A 62 -11.135 25.875 -4.156 1.00 0.00 O ATOM 0 H SER A 62 -9.123 23.717 -3.788 1.00 0.00 H new ATOM 0 HA SER A 62 -11.091 23.563 -1.790 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.226 25.887 -2.090 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.640 25.565 -2.761 1.00 0.00 H new ATOM 0 HG SER A 62 -10.365 25.959 -4.756 1.00 0.00 H new ATOM 994 N SER A 63 -12.183 23.314 -4.873 1.00 0.00 N ATOM 995 CA SER A 63 -13.373 23.019 -5.668 1.00 0.00 C ATOM 996 C SER A 63 -14.018 21.722 -5.192 1.00 0.00 C ATOM 997 O SER A 63 -15.233 21.547 -5.287 1.00 0.00 O ATOM 998 CB SER A 63 -13.001 22.896 -7.146 1.00 0.00 C ATOM 999 OG SER A 63 -12.393 24.106 -7.577 1.00 0.00 O ATOM 0 H SER A 63 -11.307 23.311 -5.396 1.00 0.00 H new ATOM 0 HA SER A 63 -14.084 23.836 -5.544 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.318 22.059 -7.293 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.890 22.690 -7.741 1.00 0.00 H new ATOM 0 HG SER A 63 -12.151 24.031 -8.524 1.00 0.00 H new ATOM 1005 N ILE A 64 -13.194 20.824 -4.671 1.00 0.00 N ATOM 1006 CA ILE A 64 -13.683 19.548 -4.169 1.00 0.00 C ATOM 1007 C ILE A 64 -14.625 19.767 -2.988 1.00 0.00 C ATOM 1008 O ILE A 64 -15.576 19.010 -2.796 1.00 0.00 O ATOM 1009 CB ILE A 64 -12.510 18.671 -3.729 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -11.515 18.539 -4.883 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -13.022 17.283 -3.344 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -10.282 17.770 -4.407 1.00 0.00 C ATOM 0 H ILE A 64 -12.186 20.955 -4.585 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.227 19.048 -4.971 1.00 0.00 H new ATOM 0 HB ILE A 64 -12.019 19.128 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.980 18.019 -5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.225 19.526 -5.242 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -12.184 16.660 -3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.734 17.373 -2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -13.513 16.825 -4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.572 17.675 -5.229 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.813 18.308 -3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.580 16.777 -4.069 1.00 0.00 H new ATOM 1024 N ARG A 65 -14.360 20.807 -2.196 1.00 0.00 N ATOM 1025 CA ARG A 65 -15.207 21.097 -1.044 1.00 0.00 C ATOM 1026 C ARG A 65 -16.641 21.309 -1.511 1.00 0.00 C ATOM 1027 O ARG A 65 -17.596 21.027 -0.786 1.00 0.00 O ATOM 1028 CB ARG A 65 -14.672 22.314 -0.255 1.00 0.00 C ATOM 1029 CG ARG A 65 -15.184 23.656 -0.815 1.00 0.00 C ATOM 1030 CD ARG A 65 -16.430 24.100 -0.043 1.00 0.00 C ATOM 1031 NE ARG A 65 -16.038 24.796 1.178 1.00 0.00 N ATOM 1032 CZ ARG A 65 -16.940 25.385 1.956 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -18.202 25.356 1.628 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -16.562 25.994 3.048 1.00 0.00 N ATOM 0 H ARG A 65 -13.580 21.451 -2.329 1.00 0.00 H new ATOM 0 HA ARG A 65 -15.190 20.248 -0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.969 22.224 0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.582 22.307 -0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.406 24.415 -0.734 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -15.419 23.552 -1.874 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -17.039 24.755 -0.665 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.043 23.233 0.203 1.00 0.00 H new ATOM 0 HE ARG A 65 -15.053 24.831 1.439 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.496 24.881 0.775 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -18.895 25.808 2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.575 26.017 3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -17.254 26.446 3.645 1.00 0.00 H new ATOM 1048 N ARG A 66 -16.774 21.789 -2.743 1.00 0.00 N ATOM 1049 CA ARG A 66 -18.080 22.019 -3.328 1.00 0.00 C ATOM 1050 C ARG A 66 -18.891 20.732 -3.268 1.00 0.00 C ATOM 1051 O ARG A 66 -20.100 20.758 -3.079 1.00 0.00 O ATOM 1052 CB ARG A 66 -17.921 22.465 -4.783 1.00 0.00 C ATOM 1053 CG ARG A 66 -19.231 23.074 -5.281 1.00 0.00 C ATOM 1054 CD ARG A 66 -19.119 24.598 -5.262 1.00 0.00 C ATOM 1055 NE ARG A 66 -20.378 25.201 -5.679 1.00 0.00 N ATOM 1056 CZ ARG A 66 -21.384 25.350 -4.824 1.00 0.00 C ATOM 1057 NH1 ARG A 66 -21.250 24.961 -3.585 1.00 0.00 N ATOM 1058 NH2 ARG A 66 -22.504 25.885 -5.223 1.00 0.00 N ATOM 0 H ARG A 66 -15.990 22.025 -3.352 1.00 0.00 H new ATOM 0 HA ARG A 66 -18.598 22.800 -2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.116 23.195 -4.864 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -17.644 21.615 -5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -19.446 22.726 -6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -20.059 22.751 -4.650 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.859 24.938 -4.260 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.316 24.919 -5.926 1.00 0.00 H new ATOM 0 HE ARG A 66 -20.489 25.514 -6.643 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -20.373 24.543 -3.274 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -22.022 25.075 -2.928 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -22.608 26.189 -6.191 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -23.277 26.000 -4.567 1.00 0.00 H new ATOM 1072 N LEU A 67 -18.207 19.607 -3.431 1.00 0.00 N ATOM 1073 CA LEU A 67 -18.863 18.304 -3.392 1.00 0.00 C ATOM 1074 C LEU A 67 -19.494 18.044 -2.022 1.00 0.00 C ATOM 1075 O LEU A 67 -20.413 17.235 -1.900 1.00 0.00 O ATOM 1076 CB LEU A 67 -17.839 17.205 -3.690 1.00 0.00 C ATOM 1077 CG LEU A 67 -17.086 17.539 -4.980 1.00 0.00 C ATOM 1078 CD1 LEU A 67 -16.052 16.448 -5.268 1.00 0.00 C ATOM 1079 CD2 LEU A 67 -18.076 17.623 -6.145 1.00 0.00 C ATOM 0 H LEU A 67 -17.200 19.569 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 67 -19.651 18.298 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -17.137 17.114 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.342 16.243 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 67 -16.580 18.497 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.517 16.687 -6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.345 16.390 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -16.557 15.489 -5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.538 17.861 -7.063 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -18.585 16.666 -6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -18.811 18.402 -5.943 1.00 0.00 H new ATOM 1091 N SER A 68 -18.983 18.716 -0.991 1.00 0.00 N ATOM 1092 CA SER A 68 -19.499 18.526 0.365 1.00 0.00 C ATOM 1093 C SER A 68 -20.938 19.024 0.496 1.00 0.00 C ATOM 1094 O SER A 68 -21.799 18.314 1.019 1.00 0.00 O ATOM 1095 CB SER A 68 -18.615 19.274 1.362 1.00 0.00 C ATOM 1096 OG SER A 68 -18.819 20.673 1.214 1.00 0.00 O ATOM 0 H SER A 68 -18.221 19.390 -1.066 1.00 0.00 H new ATOM 0 HA SER A 68 -19.487 17.457 0.578 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.854 18.966 2.380 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.567 19.028 1.192 1.00 0.00 H new ATOM 0 HG SER A 68 -18.652 20.931 0.284 1.00 0.00 H new ATOM 1102 N THR A 69 -21.194 20.240 0.018 1.00 0.00 N ATOM 1103 CA THR A 69 -22.536 20.817 0.086 1.00 0.00 C ATOM 1104 C THR A 69 -23.173 20.807 -1.297 1.00 0.00 C ATOM 1105 O THR A 69 -24.365 20.542 -1.447 1.00 0.00 O ATOM 1106 CB THR A 69 -22.465 22.254 0.612 1.00 0.00 C ATOM 1107 OG1 THR A 69 -23.779 22.785 0.712 1.00 0.00 O ATOM 1108 CG2 THR A 69 -21.638 23.113 -0.345 1.00 0.00 C ATOM 0 H THR A 69 -20.495 20.842 -0.418 1.00 0.00 H new ATOM 0 HA THR A 69 -23.143 20.220 0.766 1.00 0.00 H new ATOM 0 HB THR A 69 -21.994 22.257 1.595 1.00 0.00 H new ATOM 0 HG1 THR A 69 -24.420 22.053 0.829 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.590 24.134 0.032 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.630 22.706 -0.420 1.00 0.00 H new ATOM 0 HG23 THR A 69 -22.104 23.112 -1.330 1.00 0.00 H new ATOM 1116 N ARG A 70 -22.354 21.081 -2.302 1.00 0.00 N ATOM 1117 CA ARG A 70 -22.814 21.092 -3.688 1.00 0.00 C ATOM 1118 C ARG A 70 -24.066 21.961 -3.848 1.00 0.00 C ATOM 1119 O ARG A 70 -23.972 23.188 -3.854 1.00 0.00 O ATOM 1120 CB ARG A 70 -23.080 19.649 -4.146 1.00 0.00 C ATOM 1121 CG ARG A 70 -23.387 19.603 -5.654 1.00 0.00 C ATOM 1122 CD ARG A 70 -22.172 20.064 -6.467 1.00 0.00 C ATOM 1123 NE ARG A 70 -22.065 19.275 -7.687 1.00 0.00 N ATOM 1124 CZ ARG A 70 -21.096 19.496 -8.569 1.00 0.00 C ATOM 1125 NH1 ARG A 70 -20.220 20.440 -8.355 1.00 0.00 N ATOM 1126 NH2 ARG A 70 -21.024 18.769 -9.649 1.00 0.00 N ATOM 0 H ARG A 70 -21.365 21.300 -2.186 1.00 0.00 H new ATOM 0 HA ARG A 70 -22.038 21.528 -4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -22.212 19.027 -3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -23.918 19.234 -3.587 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -23.661 18.589 -5.944 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -24.243 20.241 -5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -22.269 21.121 -6.714 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -21.264 19.957 -5.873 1.00 0.00 H new ATOM 0 HE ARG A 70 -22.747 18.539 -7.868 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -20.279 21.009 -7.510 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -19.477 20.609 -9.033 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -21.710 18.033 -9.815 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -20.281 18.936 -10.328 1.00 0.00 H new ATOM 1140 N ARG A 71 -25.233 21.334 -3.987 1.00 0.00 N ATOM 1141 CA ARG A 71 -26.470 22.085 -4.157 1.00 0.00 C ATOM 1142 C ARG A 71 -26.997 22.570 -2.809 1.00 0.00 C ATOM 1143 O ARG A 71 -26.903 23.754 -2.486 1.00 0.00 O ATOM 1144 CB ARG A 71 -27.520 21.207 -4.845 1.00 0.00 C ATOM 1145 CG ARG A 71 -28.674 22.079 -5.350 1.00 0.00 C ATOM 1146 CD ARG A 71 -29.646 21.222 -6.164 1.00 0.00 C ATOM 1147 NE ARG A 71 -30.994 21.771 -6.073 1.00 0.00 N ATOM 1148 CZ ARG A 71 -32.056 21.056 -6.433 1.00 0.00 C ATOM 1149 NH1 ARG A 71 -31.904 19.845 -6.893 1.00 0.00 N ATOM 1150 NH2 ARG A 71 -33.253 21.568 -6.327 1.00 0.00 N ATOM 0 H ARG A 71 -25.345 20.320 -3.985 1.00 0.00 H new ATOM 0 HA ARG A 71 -26.265 22.956 -4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -27.068 20.668 -5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -27.896 20.459 -4.147 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -29.194 22.536 -4.508 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -28.287 22.892 -5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -29.328 21.188 -7.206 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -29.637 20.197 -5.794 1.00 0.00 H new ATOM 0 HE ARG A 71 -31.125 22.721 -5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -30.970 19.445 -6.977 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -32.720 19.298 -7.169 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -33.373 22.515 -5.968 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -34.068 21.020 -6.603 1.00 0.00 H new ATOM 1164 N ARG A 72 -27.552 21.651 -2.025 1.00 0.00 N ATOM 1165 CA ARG A 72 -28.088 22.005 -0.716 1.00 0.00 C ATOM 1166 C ARG A 72 -27.092 21.654 0.384 1.00 0.00 C ATOM 1167 O ARG A 72 -26.779 20.482 0.520 1.00 0.00 O ATOM 1168 CB ARG A 72 -29.404 21.264 -0.475 1.00 0.00 C ATOM 1169 CG ARG A 72 -30.459 21.772 -1.460 1.00 0.00 C ATOM 1170 CD ARG A 72 -31.700 20.883 -1.378 1.00 0.00 C ATOM 1171 NE ARG A 72 -32.746 21.399 -2.254 1.00 0.00 N ATOM 1172 CZ ARG A 72 -33.681 20.598 -2.758 1.00 0.00 C ATOM 1173 NH1 ARG A 72 -33.680 19.325 -2.471 1.00 0.00 N ATOM 1174 NH2 ARG A 72 -34.605 21.087 -3.541 1.00 0.00 N ATOM 1175 OXT ARG A 72 -26.658 22.560 1.074 1.00 0.00 O ATOM 0 H ARG A 72 -27.642 20.665 -2.270 1.00 0.00 H new ATOM 0 HA ARG A 72 -28.268 23.080 -0.695 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -29.259 20.191 -0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -29.741 21.422 0.550 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -30.722 22.804 -1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -30.059 21.765 -2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -31.445 19.863 -1.665 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -32.062 20.844 -0.351 1.00 0.00 H new ATOM 0 HE ARG A 72 -32.761 22.393 -2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -32.961 18.941 -1.858 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -34.399 18.714 -2.859 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -34.609 22.082 -3.765 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -35.322 20.474 -3.928 1.00 0.00 H new TER 1189 ARG A 72