USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 683 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 7 SER OG : rot 150:sc= 1.27 USER MOD Set 1.2: A 9 THR OG1 : rot -30:sc= 0.635 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0.773 K(o=0.77,f=-2.7!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0225 K(o=-0.022,f=-1.3!) USER MOD Single : A 21 CYS SG : rot -116:sc= -0.0764 USER MOD Single : A 22 GLN : amide:sc= 1.69 K(o=1.7,f=-6.7!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.255 USER MOD Single : A 31 THR OG1 : rot -76:sc= 0.6 USER MOD Single : A 32 GLN : amide:sc= 0.839 K(o=0.84,f=-0.23) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -6:sc= 0.444 USER MOD Single : A 43 THR OG1 : rot 78:sc= 1.17 USER MOD Single : A 46 HIS : no HD1:sc= -0.212 K(o=-0.21,f=-1.2) USER MOD Single : A 47 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.37) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.0319 X(o=-0.032,f=-0.12) USER MOD Single : A 59 SER OG : rot 111:sc= 0.523 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0.754 USER MOD Single : A 67 CYS SG : rot 180:sc= -0.083 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.245 X(o=-0.25,f=0.008) USER MOD Single : A 79 HIS : no HD1:sc= -0.0771 X(o=-0.077,f=-0.077) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 3 9.457 -15.076 -1.837 1.00 0.00 N ATOM 2 CA LYS A 3 8.604 -14.808 -0.685 1.00 0.00 C ATOM 3 C LYS A 3 8.147 -13.355 -0.665 1.00 0.00 C ATOM 4 O LYS A 3 7.103 -13.031 -0.100 1.00 0.00 O ATOM 5 CB LYS A 3 9.336 -15.147 0.614 1.00 0.00 C ATOM 6 CG LYS A 3 9.651 -16.626 0.790 1.00 0.00 C ATOM 7 CD LYS A 3 10.346 -16.889 2.118 1.00 0.00 C ATOM 8 CE LYS A 3 10.654 -18.368 2.300 1.00 0.00 C ATOM 9 NZ LYS A 3 11.338 -18.640 3.593 1.00 0.00 N ATOM 0 HA LYS A 3 7.721 -15.442 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.268 -14.583 0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.729 -14.814 1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.729 -17.205 0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 3 10.286 -16.965 -0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 3 11.271 -16.315 2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.714 -16.544 2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.727 -18.940 2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.282 -18.711 1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.529 -19.659 3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 12.235 -18.115 3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.728 -18.337 4.379 1.00 0.00 H new ATOM 23 N ALA A 4 8.934 -12.483 -1.286 1.00 0.00 N ATOM 24 CA ALA A 4 8.635 -11.057 -1.302 1.00 0.00 C ATOM 25 C ALA A 4 7.347 -10.773 -2.065 1.00 0.00 C ATOM 26 O ALA A 4 6.555 -9.918 -1.668 1.00 0.00 O ATOM 27 CB ALA A 4 9.795 -10.278 -1.907 1.00 0.00 C ATOM 0 H ALA A 4 9.785 -12.740 -1.786 1.00 0.00 H new ATOM 0 HA ALA A 4 8.494 -10.731 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.556 -9.215 -1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.694 -10.445 -1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 4 9.966 -10.616 -2.929 1.00 0.00 H new ATOM 33 N LYS A 5 7.144 -11.494 -3.162 1.00 0.00 N ATOM 34 CA LYS A 5 5.945 -11.331 -3.974 1.00 0.00 C ATOM 35 C LYS A 5 4.810 -12.210 -3.464 1.00 0.00 C ATOM 36 O LYS A 5 3.635 -11.886 -3.641 1.00 0.00 O ATOM 37 CB LYS A 5 6.243 -11.656 -5.439 1.00 0.00 C ATOM 38 CG LYS A 5 7.183 -10.673 -6.124 1.00 0.00 C ATOM 39 CD LYS A 5 7.384 -11.026 -7.590 1.00 0.00 C ATOM 40 CE LYS A 5 8.314 -10.036 -8.276 1.00 0.00 C ATOM 41 NZ LYS A 5 8.524 -10.373 -9.710 1.00 0.00 N ATOM 0 H LYS A 5 7.795 -12.198 -3.509 1.00 0.00 H new ATOM 0 HA LYS A 5 5.630 -10.290 -3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.677 -12.654 -5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.303 -11.685 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.778 -9.664 -6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.146 -10.672 -5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.797 -12.032 -7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.420 -11.035 -8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.898 -9.032 -8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.275 -10.024 -7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.163 -9.675 -10.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.945 -11.321 -9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.611 -10.359 -10.207 1.00 0.00 H new ATOM 55 N LEU A 6 5.167 -13.321 -2.833 1.00 0.00 N ATOM 56 CA LEU A 6 4.179 -14.226 -2.256 1.00 0.00 C ATOM 57 C LEU A 6 3.435 -13.566 -1.103 1.00 0.00 C ATOM 58 O LEU A 6 2.232 -13.767 -0.933 1.00 0.00 O ATOM 59 CB LEU A 6 4.857 -15.518 -1.782 1.00 0.00 C ATOM 60 CG LEU A 6 5.402 -16.417 -2.901 1.00 0.00 C ATOM 61 CD1 LEU A 6 6.190 -17.575 -2.303 1.00 0.00 C ATOM 62 CD2 LEU A 6 4.249 -16.930 -3.750 1.00 0.00 C ATOM 0 H LEU A 6 6.135 -13.618 -2.707 1.00 0.00 H new ATOM 0 HA LEU A 6 3.451 -14.470 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.679 -15.255 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.140 -16.091 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 6 6.074 -15.840 -3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.573 -18.207 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.024 -17.185 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.538 -18.163 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.637 -17.568 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.565 -17.504 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.718 -16.086 -4.190 1.00 0.00 H new ATOM 74 N SER A 7 4.156 -12.778 -0.313 1.00 0.00 N ATOM 75 CA SER A 7 3.540 -11.963 0.728 1.00 0.00 C ATOM 76 C SER A 7 2.843 -10.746 0.134 1.00 0.00 C ATOM 77 O SER A 7 3.463 -9.946 -0.568 1.00 0.00 O ATOM 78 CB SER A 7 4.583 -11.533 1.740 1.00 0.00 C ATOM 79 OG SER A 7 4.111 -10.518 2.583 1.00 0.00 O ATOM 0 H SER A 7 5.170 -12.686 -0.374 1.00 0.00 H new ATOM 0 HA SER A 7 2.786 -12.568 1.231 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.882 -12.393 2.340 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.473 -11.185 1.217 1.00 0.00 H new ATOM 0 HG SER A 7 4.547 -10.590 3.458 1.00 0.00 H new ATOM 85 N LEU A 8 1.552 -10.612 0.417 1.00 0.00 N ATOM 86 CA LEU A 8 0.778 -9.471 -0.059 1.00 0.00 C ATOM 87 C LEU A 8 1.264 -8.172 0.571 1.00 0.00 C ATOM 88 O LEU A 8 1.259 -7.121 -0.067 1.00 0.00 O ATOM 89 CB LEU A 8 -0.713 -9.682 0.237 1.00 0.00 C ATOM 90 CG LEU A 8 -1.395 -10.777 -0.593 1.00 0.00 C ATOM 91 CD1 LEU A 8 -2.820 -10.993 -0.102 1.00 0.00 C ATOM 92 CD2 LEU A 8 -1.386 -10.380 -2.063 1.00 0.00 C ATOM 0 H LEU A 8 1.019 -11.280 0.974 1.00 0.00 H new ATOM 0 HA LEU A 8 0.919 -9.394 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.826 -9.925 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.237 -8.741 0.069 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.849 -11.713 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.296 -11.772 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.802 -11.296 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.384 -10.065 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.871 -11.158 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.924 -9.441 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.357 -10.257 -2.400 1.00 0.00 H new ATOM 104 N THR A 9 1.687 -8.253 1.828 1.00 0.00 N ATOM 105 CA THR A 9 2.239 -7.099 2.527 1.00 0.00 C ATOM 106 C THR A 9 3.541 -6.636 1.885 1.00 0.00 C ATOM 107 O THR A 9 3.698 -5.461 1.555 1.00 0.00 O ATOM 108 CB THR A 9 2.492 -7.405 4.015 1.00 0.00 C ATOM 109 OG1 THR A 9 3.368 -8.536 4.129 1.00 0.00 O ATOM 110 CG2 THR A 9 1.184 -7.708 4.728 1.00 0.00 C ATOM 0 H THR A 9 1.658 -9.108 2.384 1.00 0.00 H new ATOM 0 HA THR A 9 1.497 -6.304 2.451 1.00 0.00 H new ATOM 0 HB THR A 9 2.951 -6.531 4.478 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.238 -9.129 3.360 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.383 -7.922 5.778 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.520 -6.847 4.652 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.709 -8.573 4.265 1.00 0.00 H new ATOM 118 N GLN A 10 4.472 -7.568 1.711 1.00 0.00 N ATOM 119 CA GLN A 10 5.751 -7.263 1.083 1.00 0.00 C ATOM 120 C GLN A 10 5.567 -6.846 -0.371 1.00 0.00 C ATOM 121 O GLN A 10 6.297 -5.996 -0.880 1.00 0.00 O ATOM 122 CB GLN A 10 6.686 -8.473 1.157 1.00 0.00 C ATOM 123 CG GLN A 10 7.103 -8.852 2.569 1.00 0.00 C ATOM 124 CD GLN A 10 7.915 -7.763 3.244 1.00 0.00 C ATOM 125 OE1 GLN A 10 8.802 -7.160 2.633 1.00 0.00 O ATOM 126 NE2 GLN A 10 7.618 -7.505 4.513 1.00 0.00 N ATOM 0 H GLN A 10 4.364 -8.541 1.996 1.00 0.00 H new ATOM 0 HA GLN A 10 6.196 -6.430 1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.193 -9.328 0.694 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.580 -8.264 0.570 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.214 -9.060 3.164 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.688 -9.771 2.538 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.877 -8.028 4.980 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.131 -6.784 5.020 1.00 0.00 H new ATOM 135 N LEU A 11 4.586 -7.449 -1.033 1.00 0.00 N ATOM 136 CA LEU A 11 4.295 -7.132 -2.427 1.00 0.00 C ATOM 137 C LEU A 11 3.840 -5.687 -2.582 1.00 0.00 C ATOM 138 O LEU A 11 4.277 -4.982 -3.490 1.00 0.00 O ATOM 139 CB LEU A 11 3.229 -8.089 -2.976 1.00 0.00 C ATOM 140 CG LEU A 11 2.873 -7.890 -4.456 1.00 0.00 C ATOM 141 CD1 LEU A 11 4.102 -8.116 -5.323 1.00 0.00 C ATOM 142 CD2 LEU A 11 1.755 -8.845 -4.843 1.00 0.00 C ATOM 0 H LEU A 11 3.978 -8.160 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 11 5.214 -7.257 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.576 -9.113 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.322 -7.976 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 11 2.529 -6.868 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.839 -7.973 -6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.880 -7.406 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.469 -9.132 -5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.503 -8.703 -5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.083 -9.872 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.877 -8.645 -4.229 1.00 0.00 H new ATOM 154 N ILE A 12 2.960 -5.251 -1.686 1.00 0.00 N ATOM 155 CA ILE A 12 2.546 -3.853 -1.637 1.00 0.00 C ATOM 156 C ILE A 12 3.748 -2.927 -1.503 1.00 0.00 C ATOM 157 O ILE A 12 3.813 -1.883 -2.150 1.00 0.00 O ATOM 158 CB ILE A 12 1.576 -3.592 -0.471 1.00 0.00 C ATOM 159 CG1 ILE A 12 0.236 -4.290 -0.725 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.372 -2.099 -0.272 1.00 0.00 C ATOM 161 CD1 ILE A 12 -0.632 -4.413 0.506 1.00 0.00 C ATOM 0 H ILE A 12 2.520 -5.846 -0.984 1.00 0.00 H new ATOM 0 HA ILE A 12 2.034 -3.644 -2.576 1.00 0.00 H new ATOM 0 HB ILE A 12 2.011 -4.003 0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.311 -3.738 -1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.426 -5.286 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.683 -1.933 0.556 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.329 -1.628 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.957 -1.664 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.563 -4.917 0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.106 -4.991 1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.854 -3.419 0.895 1.00 0.00 H new ATOM 173 N LEU A 13 4.696 -3.316 -0.659 1.00 0.00 N ATOM 174 CA LEU A 13 5.843 -2.470 -0.353 1.00 0.00 C ATOM 175 C LEU A 13 6.808 -2.403 -1.531 1.00 0.00 C ATOM 176 O LEU A 13 7.550 -1.433 -1.683 1.00 0.00 O ATOM 177 CB LEU A 13 6.565 -2.987 0.899 1.00 0.00 C ATOM 178 CG LEU A 13 5.738 -2.953 2.189 1.00 0.00 C ATOM 179 CD1 LEU A 13 6.499 -3.638 3.316 1.00 0.00 C ATOM 180 CD2 LEU A 13 5.421 -1.510 2.553 1.00 0.00 C ATOM 0 H LEU A 13 4.693 -4.213 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 13 5.477 -1.461 -0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.884 -4.013 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.468 -2.395 1.049 1.00 0.00 H new ATOM 0 HG LEU A 13 4.802 -3.489 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.903 -3.608 4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.696 -4.675 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.444 -3.121 3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.833 -1.487 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.350 -0.960 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.853 -1.048 1.746 1.00 0.00 H new ATOM 192 N ILE A 14 6.792 -3.439 -2.362 1.00 0.00 N ATOM 193 CA ILE A 14 7.577 -3.450 -3.589 1.00 0.00 C ATOM 194 C ILE A 14 7.097 -2.380 -4.560 1.00 0.00 C ATOM 195 O ILE A 14 7.900 -1.712 -5.211 1.00 0.00 O ATOM 196 CB ILE A 14 7.524 -4.823 -4.284 1.00 0.00 C ATOM 197 CG1 ILE A 14 8.279 -5.868 -3.460 1.00 0.00 C ATOM 198 CG2 ILE A 14 8.097 -4.731 -5.689 1.00 0.00 C ATOM 199 CD1 ILE A 14 8.051 -7.289 -3.920 1.00 0.00 C ATOM 0 H ILE A 14 6.242 -4.284 -2.207 1.00 0.00 H new ATOM 0 HA ILE A 14 8.608 -3.240 -3.303 1.00 0.00 H new ATOM 0 HB ILE A 14 6.482 -5.133 -4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 14 9.346 -5.649 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.977 -5.781 -2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 14 8.052 -5.710 -6.165 1.00 0.00 H new ATOM 0 HG22 ILE A 14 7.517 -4.016 -6.273 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.134 -4.400 -5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.619 -7.972 -3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.990 -7.528 -3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 14 8.380 -7.394 -4.954 1.00 0.00 H new ATOM 211 N ARG A 15 5.780 -2.222 -4.655 1.00 0.00 N ATOM 212 CA ARG A 15 5.191 -1.163 -5.466 1.00 0.00 C ATOM 213 C ARG A 15 5.449 0.207 -4.852 1.00 0.00 C ATOM 214 O ARG A 15 5.709 1.178 -5.565 1.00 0.00 O ATOM 215 CB ARG A 15 3.708 -1.390 -5.718 1.00 0.00 C ATOM 216 CG ARG A 15 3.023 -0.302 -6.529 1.00 0.00 C ATOM 217 CD ARG A 15 3.587 -0.106 -7.889 1.00 0.00 C ATOM 218 NE ARG A 15 3.051 1.040 -8.605 1.00 0.00 N ATOM 219 CZ ARG A 15 3.492 1.468 -9.804 1.00 0.00 C ATOM 220 NH1 ARG A 15 4.498 0.874 -10.407 1.00 0.00 N ATOM 221 NH2 ARG A 15 2.902 2.519 -10.347 1.00 0.00 N ATOM 0 H ARG A 15 5.100 -2.815 -4.179 1.00 0.00 H new ATOM 0 HA ARG A 15 5.683 -1.192 -6.438 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.584 -2.341 -6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.201 -1.481 -4.757 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.964 -0.545 -6.619 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.089 0.639 -5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.668 0.006 -7.807 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.403 -1.005 -8.478 1.00 0.00 H new ATOM 0 HE ARG A 15 2.287 1.557 -8.169 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.957 0.076 -9.967 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.819 1.211 -11.315 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.135 2.982 -9.859 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.213 2.867 -11.254 1.00 0.00 H new ATOM 235 N LEU A 16 5.375 0.282 -3.528 1.00 0.00 N ATOM 236 CA LEU A 16 5.597 1.535 -2.817 1.00 0.00 C ATOM 237 C LEU A 16 7.077 1.891 -2.779 1.00 0.00 C ATOM 238 O LEU A 16 7.443 3.038 -2.523 1.00 0.00 O ATOM 239 CB LEU A 16 5.035 1.442 -1.393 1.00 0.00 C ATOM 240 CG LEU A 16 3.508 1.324 -1.300 1.00 0.00 C ATOM 241 CD1 LEU A 16 3.085 1.159 0.153 1.00 0.00 C ATOM 242 CD2 LEU A 16 2.864 2.558 -1.914 1.00 0.00 C ATOM 0 H LEU A 16 5.162 -0.512 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 16 5.074 2.327 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.481 0.579 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.350 2.325 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 16 3.177 0.445 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.000 1.076 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.539 0.258 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.413 2.025 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.779 2.474 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.192 3.446 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.158 2.639 -2.960 1.00 0.00 H new ATOM 254 N SER A 17 7.927 0.903 -3.037 1.00 0.00 N ATOM 255 CA SER A 17 9.352 1.146 -3.226 1.00 0.00 C ATOM 256 C SER A 17 9.619 1.865 -4.542 1.00 0.00 C ATOM 257 O SER A 17 10.429 2.790 -4.603 1.00 0.00 O ATOM 258 CB SER A 17 10.116 -0.162 -3.174 1.00 0.00 C ATOM 259 OG SER A 17 11.487 0.018 -3.404 1.00 0.00 O ATOM 0 H SER A 17 7.653 -0.076 -3.120 1.00 0.00 H new ATOM 0 HA SER A 17 9.696 1.790 -2.417 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.971 -0.628 -2.199 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.711 -0.848 -3.918 1.00 0.00 H new ATOM 0 HG SER A 17 11.943 -0.849 -3.360 1.00 0.00 H new ATOM 265 N ASN A 18 8.933 1.435 -5.595 1.00 0.00 N ATOM 266 CA ASN A 18 9.087 2.042 -6.912 1.00 0.00 C ATOM 267 C ASN A 18 8.493 3.445 -6.942 1.00 0.00 C ATOM 268 O ASN A 18 9.080 4.366 -7.512 1.00 0.00 O ATOM 269 CB ASN A 18 8.463 1.184 -7.996 1.00 0.00 C ATOM 270 CG ASN A 18 9.245 -0.063 -8.306 1.00 0.00 C ATOM 271 OD1 ASN A 18 10.446 -0.152 -8.029 1.00 0.00 O ATOM 272 ND2 ASN A 18 8.590 -0.993 -8.953 1.00 0.00 N ATOM 0 H ASN A 18 8.263 0.666 -5.562 1.00 0.00 H new ATOM 0 HA ASN A 18 10.156 2.114 -7.111 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.455 0.903 -7.690 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.366 1.777 -8.905 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.071 -1.841 -9.253 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.598 -0.870 -9.157 1.00 0.00 H new ATOM 279 N ARG A 19 7.326 3.602 -6.328 1.00 0.00 N ATOM 280 CA ARG A 19 6.686 4.907 -6.222 1.00 0.00 C ATOM 281 C ARG A 19 6.178 5.159 -4.807 1.00 0.00 C ATOM 282 O ARG A 19 5.414 4.363 -4.261 1.00 0.00 O ATOM 283 CB ARG A 19 5.580 5.091 -7.250 1.00 0.00 C ATOM 284 CG ARG A 19 6.052 5.152 -8.694 1.00 0.00 C ATOM 285 CD ARG A 19 6.822 6.376 -9.035 1.00 0.00 C ATOM 286 NE ARG A 19 7.196 6.482 -10.435 1.00 0.00 N ATOM 287 CZ ARG A 19 8.319 5.960 -10.968 1.00 0.00 C ATOM 288 NH1 ARG A 19 9.196 5.330 -10.219 1.00 0.00 N ATOM 289 NH2 ARG A 19 8.527 6.120 -12.264 1.00 0.00 N ATOM 0 H ARG A 19 6.803 2.840 -5.896 1.00 0.00 H new ATOM 0 HA ARG A 19 7.448 5.654 -6.442 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.870 4.270 -7.149 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.040 6.009 -7.021 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.671 4.279 -8.899 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.184 5.088 -9.351 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.230 7.250 -8.763 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.727 6.402 -8.427 1.00 0.00 H new ATOM 0 HE ARG A 19 6.565 6.986 -11.058 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.033 5.230 -9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.040 4.941 -10.639 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.847 6.627 -12.831 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.367 5.737 -12.697 1.00 0.00 H new ATOM 303 N GLY A 20 6.608 6.269 -4.219 1.00 0.00 N ATOM 304 CA GLY A 20 6.439 6.493 -2.788 1.00 0.00 C ATOM 305 C GLY A 20 4.982 6.333 -2.374 1.00 0.00 C ATOM 306 O GLY A 20 4.680 5.692 -1.367 1.00 0.00 O ATOM 0 H GLY A 20 7.077 7.029 -4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.057 5.789 -2.231 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.785 7.494 -2.530 1.00 0.00 H new ATOM 310 N CYS A 21 4.082 6.921 -3.155 1.00 0.00 N ATOM 311 CA CYS A 21 2.669 6.964 -2.800 1.00 0.00 C ATOM 312 C CYS A 21 1.798 6.454 -3.939 1.00 0.00 C ATOM 313 O CYS A 21 1.905 6.921 -5.074 1.00 0.00 O ATOM 314 CB CYS A 21 2.427 8.454 -2.562 1.00 0.00 C ATOM 315 SG CYS A 21 0.742 8.866 -2.046 1.00 0.00 S ATOM 0 H CYS A 21 4.307 7.375 -4.040 1.00 0.00 H new ATOM 0 HA CYS A 21 2.424 6.338 -1.942 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.123 8.805 -1.800 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.656 8.998 -3.479 1.00 0.00 H new ATOM 0 HG CYS A 21 0.181 9.611 -2.951 1.00 0.00 H new ATOM 321 N GLN A 22 0.935 5.491 -3.633 1.00 0.00 N ATOM 322 CA GLN A 22 0.004 4.954 -4.618 1.00 0.00 C ATOM 323 C GLN A 22 -1.419 4.931 -4.075 1.00 0.00 C ATOM 324 O GLN A 22 -1.632 4.973 -2.864 1.00 0.00 O ATOM 325 CB GLN A 22 0.421 3.540 -5.035 1.00 0.00 C ATOM 326 CG GLN A 22 1.685 3.486 -5.875 1.00 0.00 C ATOM 327 CD GLN A 22 1.467 4.002 -7.284 1.00 0.00 C ATOM 328 OE1 GLN A 22 1.221 3.227 -8.213 1.00 0.00 O ATOM 329 NE2 GLN A 22 1.556 5.317 -7.453 1.00 0.00 N ATOM 0 H GLN A 22 0.861 5.066 -2.709 1.00 0.00 H new ATOM 0 HA GLN A 22 0.031 5.608 -5.490 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.568 2.937 -4.139 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.394 3.083 -5.596 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.464 4.076 -5.392 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.045 2.458 -5.919 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.761 5.921 -6.657 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.419 5.723 -8.379 1.00 0.00 H new ATOM 338 N THR A 23 -2.390 4.861 -4.980 1.00 0.00 N ATOM 339 CA THR A 23 -3.794 4.797 -4.592 1.00 0.00 C ATOM 340 C THR A 23 -4.222 3.363 -4.306 1.00 0.00 C ATOM 341 O THR A 23 -3.515 2.415 -4.650 1.00 0.00 O ATOM 342 CB THR A 23 -4.708 5.387 -5.681 1.00 0.00 C ATOM 343 OG1 THR A 23 -4.683 4.543 -6.839 1.00 0.00 O ATOM 344 CG2 THR A 23 -4.247 6.783 -6.067 1.00 0.00 C ATOM 0 H THR A 23 -2.230 4.847 -5.987 1.00 0.00 H new ATOM 0 HA THR A 23 -3.896 5.391 -3.684 1.00 0.00 H new ATOM 0 HB THR A 23 -5.723 5.447 -5.288 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.267 4.919 -7.531 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.905 7.183 -6.838 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.277 7.431 -5.191 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.227 6.737 -6.449 1.00 0.00 H new ATOM 352 N LEU A 24 -5.380 3.210 -3.676 1.00 0.00 N ATOM 353 CA LEU A 24 -5.940 1.891 -3.409 1.00 0.00 C ATOM 354 C LEU A 24 -6.129 1.101 -4.697 1.00 0.00 C ATOM 355 O LEU A 24 -5.824 -0.089 -4.758 1.00 0.00 O ATOM 356 CB LEU A 24 -7.273 2.021 -2.661 1.00 0.00 C ATOM 357 CG LEU A 24 -7.945 0.694 -2.287 1.00 0.00 C ATOM 358 CD1 LEU A 24 -7.063 -0.082 -1.319 1.00 0.00 C ATOM 359 CD2 LEU A 24 -9.310 0.969 -1.673 1.00 0.00 C ATOM 0 H LEU A 24 -5.951 3.985 -3.340 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.235 1.346 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.105 2.594 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.962 2.598 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.081 0.090 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.548 -1.023 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.101 -0.287 -1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.908 0.508 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.786 0.025 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.190 1.579 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.933 1.500 -2.393 1.00 0.00 H new ATOM 371 N GLU A 25 -6.635 1.772 -5.726 1.00 0.00 N ATOM 372 CA GLU A 25 -6.913 1.123 -7.002 1.00 0.00 C ATOM 373 C GLU A 25 -5.623 0.723 -7.708 1.00 0.00 C ATOM 374 O GLU A 25 -5.541 -0.345 -8.314 1.00 0.00 O ATOM 375 CB GLU A 25 -7.741 2.043 -7.903 1.00 0.00 C ATOM 376 CG GLU A 25 -9.176 2.248 -7.441 1.00 0.00 C ATOM 377 CD GLU A 25 -9.897 3.235 -8.316 1.00 0.00 C ATOM 378 OE1 GLU A 25 -9.277 3.780 -9.199 1.00 0.00 O ATOM 379 OE2 GLU A 25 -11.089 3.364 -8.177 1.00 0.00 O ATOM 0 H GLU A 25 -6.861 2.766 -5.701 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.486 0.218 -6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.249 3.014 -7.961 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.752 1.630 -8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.704 1.294 -7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.181 2.602 -6.410 1.00 0.00 H new ATOM 386 N GLU A 26 -4.617 1.586 -7.625 1.00 0.00 N ATOM 387 CA GLU A 26 -3.317 1.310 -8.227 1.00 0.00 C ATOM 388 C GLU A 26 -2.644 0.116 -7.561 1.00 0.00 C ATOM 389 O GLU A 26 -2.015 -0.705 -8.228 1.00 0.00 O ATOM 390 CB GLU A 26 -2.414 2.541 -8.139 1.00 0.00 C ATOM 391 CG GLU A 26 -2.778 3.659 -9.105 1.00 0.00 C ATOM 392 CD GLU A 26 -2.055 4.933 -8.764 1.00 0.00 C ATOM 393 OE1 GLU A 26 -1.449 4.989 -7.721 1.00 0.00 O ATOM 394 OE2 GLU A 26 -2.014 5.810 -9.595 1.00 0.00 O ATOM 0 H GLU A 26 -4.676 2.484 -7.146 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.480 1.066 -9.277 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.450 2.931 -7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.385 2.236 -8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.529 3.358 -10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.854 3.830 -9.077 1.00 0.00 H new ATOM 401 N LEU A 27 -2.781 0.027 -6.242 1.00 0.00 N ATOM 402 CA LEU A 27 -2.235 -1.097 -5.491 1.00 0.00 C ATOM 403 C LEU A 27 -3.032 -2.369 -5.746 1.00 0.00 C ATOM 404 O LEU A 27 -2.476 -3.468 -5.762 1.00 0.00 O ATOM 405 CB LEU A 27 -2.214 -0.772 -3.992 1.00 0.00 C ATOM 406 CG LEU A 27 -1.227 0.328 -3.576 1.00 0.00 C ATOM 407 CD1 LEU A 27 -1.435 0.688 -2.111 1.00 0.00 C ATOM 408 CD2 LEU A 27 0.197 -0.150 -3.818 1.00 0.00 C ATOM 0 H LEU A 27 -3.265 0.720 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.214 -1.267 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.217 -0.473 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.972 -1.682 -3.443 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.403 1.222 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.731 1.469 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.454 1.047 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.270 -0.194 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.898 0.631 -3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.385 -1.048 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.330 -0.376 -4.876 1.00 0.00 H new ATOM 420 N GLU A 28 -4.336 -2.215 -5.946 1.00 0.00 N ATOM 421 CA GLU A 28 -5.201 -3.344 -6.268 1.00 0.00 C ATOM 422 C GLU A 28 -4.834 -3.951 -7.616 1.00 0.00 C ATOM 423 O GLU A 28 -4.797 -5.172 -7.768 1.00 0.00 O ATOM 424 CB GLU A 28 -6.668 -2.912 -6.267 1.00 0.00 C ATOM 425 CG GLU A 28 -7.655 -4.038 -6.540 1.00 0.00 C ATOM 426 CD GLU A 28 -9.073 -3.535 -6.537 1.00 0.00 C ATOM 427 OE1 GLU A 28 -9.267 -2.364 -6.319 1.00 0.00 O ATOM 428 OE2 GLU A 28 -9.952 -4.296 -6.863 1.00 0.00 O ATOM 0 H GLU A 28 -4.818 -1.318 -5.891 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.056 -4.105 -5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.902 -2.466 -5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.806 -2.134 -7.018 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.431 -4.495 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.541 -4.815 -5.785 1.00 0.00 H new ATOM 435 N GLU A 29 -4.564 -3.092 -8.592 1.00 0.00 N ATOM 436 CA GLU A 29 -4.204 -3.542 -9.931 1.00 0.00 C ATOM 437 C GLU A 29 -2.820 -4.182 -9.944 1.00 0.00 C ATOM 438 O GLU A 29 -2.573 -5.132 -10.686 1.00 0.00 O ATOM 439 CB GLU A 29 -4.252 -2.375 -10.920 1.00 0.00 C ATOM 440 CG GLU A 29 -5.655 -1.884 -11.246 1.00 0.00 C ATOM 441 CD GLU A 29 -5.617 -0.647 -12.099 1.00 0.00 C ATOM 442 OE1 GLU A 29 -4.542 -0.164 -12.363 1.00 0.00 O ATOM 443 OE2 GLU A 29 -6.652 -0.249 -12.581 1.00 0.00 O ATOM 0 H GLU A 29 -4.588 -2.078 -8.481 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.931 -4.295 -10.236 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.676 -1.545 -10.512 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.762 -2.679 -11.845 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.206 -2.669 -11.764 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.193 -1.674 -10.322 1.00 0.00 H new ATOM 450 N PHE A 30 -1.923 -3.655 -9.119 1.00 0.00 N ATOM 451 CA PHE A 30 -0.574 -4.194 -9.007 1.00 0.00 C ATOM 452 C PHE A 30 -0.591 -5.608 -8.441 1.00 0.00 C ATOM 453 O PHE A 30 0.016 -6.520 -9.002 1.00 0.00 O ATOM 454 CB PHE A 30 0.296 -3.288 -8.134 1.00 0.00 C ATOM 455 CG PHE A 30 1.703 -3.784 -7.958 1.00 0.00 C ATOM 456 CD1 PHE A 30 2.654 -3.577 -8.945 1.00 0.00 C ATOM 457 CD2 PHE A 30 2.077 -4.458 -6.807 1.00 0.00 C ATOM 458 CE1 PHE A 30 3.950 -4.033 -8.784 1.00 0.00 C ATOM 459 CE2 PHE A 30 3.369 -4.914 -6.641 1.00 0.00 C ATOM 460 CZ PHE A 30 4.307 -4.701 -7.632 1.00 0.00 C ATOM 0 H PHE A 30 -2.107 -2.853 -8.516 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.147 -4.233 -10.009 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.325 -2.292 -8.576 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.169 -3.188 -7.153 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.380 -3.054 -9.849 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.348 -4.629 -6.029 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.682 -3.866 -9.560 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.646 -5.437 -5.737 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.319 -5.057 -7.505 1.00 0.00 H new ATOM 470 N THR A 31 -1.290 -5.783 -7.325 1.00 0.00 N ATOM 471 CA THR A 31 -1.304 -7.062 -6.622 1.00 0.00 C ATOM 472 C THR A 31 -2.337 -8.009 -7.220 1.00 0.00 C ATOM 473 O THR A 31 -2.202 -9.228 -7.124 1.00 0.00 O ATOM 474 CB THR A 31 -1.598 -6.877 -5.121 1.00 0.00 C ATOM 475 OG1 THR A 31 -2.927 -6.368 -4.953 1.00 0.00 O ATOM 476 CG2 THR A 31 -0.605 -5.909 -4.497 1.00 0.00 C ATOM 0 H THR A 31 -1.855 -5.055 -6.887 1.00 0.00 H new ATOM 0 HA THR A 31 -0.311 -7.495 -6.738 1.00 0.00 H new ATOM 0 HB THR A 31 -1.505 -7.844 -4.626 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.944 -5.415 -5.181 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.829 -5.791 -3.437 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.406 -6.300 -4.613 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.679 -4.941 -4.993 1.00 0.00 H new ATOM 484 N GLN A 32 -3.366 -7.439 -7.836 1.00 0.00 N ATOM 485 CA GLN A 32 -4.538 -8.209 -8.239 1.00 0.00 C ATOM 486 C GLN A 32 -5.137 -8.960 -7.058 1.00 0.00 C ATOM 487 O GLN A 32 -5.677 -10.055 -7.216 1.00 0.00 O ATOM 488 CB GLN A 32 -4.173 -9.198 -9.349 1.00 0.00 C ATOM 489 CG GLN A 32 -3.768 -8.544 -10.659 1.00 0.00 C ATOM 490 CD GLN A 32 -4.935 -7.869 -11.353 1.00 0.00 C ATOM 491 OE1 GLN A 32 -6.006 -8.461 -11.516 1.00 0.00 O ATOM 492 NE2 GLN A 32 -4.734 -6.625 -11.771 1.00 0.00 N ATOM 0 H GLN A 32 -3.413 -6.447 -8.068 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.282 -7.507 -8.614 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.354 -9.829 -9.003 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.025 -9.853 -9.531 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.987 -7.808 -10.468 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.341 -9.297 -11.321 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.833 -6.174 -11.615 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.481 -6.120 -12.248 1.00 0.00 H new ATOM 501 N ALA A 33 -5.041 -8.364 -5.874 1.00 0.00 N ATOM 502 CA ALA A 33 -5.644 -8.938 -4.676 1.00 0.00 C ATOM 503 C ALA A 33 -7.058 -8.414 -4.467 1.00 0.00 C ATOM 504 O ALA A 33 -7.403 -7.327 -4.930 1.00 0.00 O ATOM 505 CB ALA A 33 -4.781 -8.644 -3.458 1.00 0.00 C ATOM 0 H ALA A 33 -4.551 -7.483 -5.718 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.704 -10.018 -4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.243 -9.078 -2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.791 -9.077 -3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.690 -7.566 -3.328 1.00 0.00 H new ATOM 511 N LYS A 34 -7.876 -9.197 -3.769 1.00 0.00 N ATOM 512 CA LYS A 34 -9.203 -8.748 -3.364 1.00 0.00 C ATOM 513 C LYS A 34 -9.129 -7.456 -2.564 1.00 0.00 C ATOM 514 O LYS A 34 -8.338 -7.338 -1.629 1.00 0.00 O ATOM 515 CB LYS A 34 -9.907 -9.834 -2.547 1.00 0.00 C ATOM 516 CG LYS A 34 -11.324 -9.478 -2.120 1.00 0.00 C ATOM 517 CD LYS A 34 -11.983 -10.630 -1.376 1.00 0.00 C ATOM 518 CE LYS A 34 -13.411 -10.288 -0.976 1.00 0.00 C ATOM 519 NZ LYS A 34 -14.074 -11.413 -0.263 1.00 0.00 N ATOM 0 H LYS A 34 -7.643 -10.145 -3.473 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.780 -8.553 -4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.937 -10.752 -3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.314 -10.044 -1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.303 -8.595 -1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.917 -9.222 -2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.983 -11.519 -2.006 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.402 -10.870 -0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.407 -9.405 -0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.986 -10.034 -1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.044 -11.139 -0.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.101 -12.248 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.540 -11.639 0.600 1.00 0.00 H new ATOM 533 N ARG A 35 -9.956 -6.486 -2.938 1.00 0.00 N ATOM 534 CA ARG A 35 -9.911 -5.162 -2.330 1.00 0.00 C ATOM 535 C ARG A 35 -9.984 -5.252 -0.811 1.00 0.00 C ATOM 536 O ARG A 35 -9.234 -4.581 -0.103 1.00 0.00 O ATOM 537 CB ARG A 35 -10.984 -4.237 -2.885 1.00 0.00 C ATOM 538 CG ARG A 35 -10.928 -2.809 -2.367 1.00 0.00 C ATOM 539 CD ARG A 35 -11.781 -1.852 -3.118 1.00 0.00 C ATOM 540 NE ARG A 35 -11.422 -1.696 -4.519 1.00 0.00 N ATOM 541 CZ ARG A 35 -12.223 -1.156 -5.458 1.00 0.00 C ATOM 542 NH1 ARG A 35 -13.440 -0.755 -5.161 1.00 0.00 N ATOM 543 NH2 ARG A 35 -11.763 -1.063 -6.694 1.00 0.00 N ATOM 0 H ARG A 35 -10.667 -6.593 -3.661 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.950 -4.721 -2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.900 -4.218 -3.972 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.962 -4.656 -2.648 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.230 -2.803 -1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.895 -2.462 -2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.818 -2.183 -3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.728 -0.878 -2.632 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.499 -2.018 -4.811 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.790 -0.851 -4.208 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.034 -0.348 -5.884 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.825 -1.396 -6.915 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.347 -0.659 -7.426 1.00 0.00 H new ATOM 557 N GLU A 36 -10.894 -6.084 -0.316 1.00 0.00 N ATOM 558 CA GLU A 36 -11.036 -6.299 1.119 1.00 0.00 C ATOM 559 C GLU A 36 -9.724 -6.762 1.739 1.00 0.00 C ATOM 560 O GLU A 36 -9.268 -6.208 2.741 1.00 0.00 O ATOM 561 CB GLU A 36 -12.141 -7.318 1.403 1.00 0.00 C ATOM 562 CG GLU A 36 -12.379 -7.595 2.880 1.00 0.00 C ATOM 563 CD GLU A 36 -13.508 -8.564 3.079 1.00 0.00 C ATOM 564 OE1 GLU A 36 -14.097 -8.970 2.106 1.00 0.00 O ATOM 565 OE2 GLU A 36 -13.713 -8.989 4.193 1.00 0.00 O ATOM 0 H GLU A 36 -11.545 -6.621 -0.889 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.310 -5.346 1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.070 -6.961 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.890 -8.255 0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.470 -7.996 3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.603 -6.661 3.396 1.00 0.00 H new ATOM 572 N VAL A 37 -9.120 -7.783 1.140 1.00 0.00 N ATOM 573 CA VAL A 37 -7.859 -8.322 1.631 1.00 0.00 C ATOM 574 C VAL A 37 -6.739 -7.295 1.521 1.00 0.00 C ATOM 575 O VAL A 37 -5.899 -7.178 2.414 1.00 0.00 O ATOM 576 CB VAL A 37 -7.451 -9.595 0.866 1.00 0.00 C ATOM 577 CG1 VAL A 37 -6.049 -10.030 1.264 1.00 0.00 C ATOM 578 CG2 VAL A 37 -8.449 -10.714 1.122 1.00 0.00 C ATOM 0 H VAL A 37 -9.485 -8.254 0.312 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.015 -8.574 2.680 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.452 -9.370 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.778 -10.931 0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.341 -9.235 1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.022 -10.237 2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.145 -11.605 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.480 -10.937 2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.439 -10.402 0.788 1.00 0.00 H new ATOM 588 N LEU A 38 -6.732 -6.551 0.420 1.00 0.00 N ATOM 589 CA LEU A 38 -5.762 -5.480 0.225 1.00 0.00 C ATOM 590 C LEU A 38 -5.820 -4.471 1.365 1.00 0.00 C ATOM 591 O LEU A 38 -4.787 -4.053 1.889 1.00 0.00 O ATOM 592 CB LEU A 38 -6.006 -4.782 -1.119 1.00 0.00 C ATOM 593 CG LEU A 38 -5.078 -3.597 -1.416 1.00 0.00 C ATOM 594 CD1 LEU A 38 -3.635 -4.075 -1.505 1.00 0.00 C ATOM 595 CD2 LEU A 38 -5.506 -2.930 -2.716 1.00 0.00 C ATOM 0 H LEU A 38 -7.388 -6.670 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.766 -5.922 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.898 -5.517 -1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.038 -4.431 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.147 -2.868 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.983 -3.227 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.343 -4.530 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.544 -4.810 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.847 -2.088 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.447 -3.651 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.532 -2.573 -2.621 1.00 0.00 H new ATOM 607 N LEU A 39 -7.032 -4.083 1.745 1.00 0.00 N ATOM 608 CA LEU A 39 -7.227 -3.120 2.821 1.00 0.00 C ATOM 609 C LEU A 39 -6.745 -3.679 4.155 1.00 0.00 C ATOM 610 O LEU A 39 -6.220 -2.946 4.992 1.00 0.00 O ATOM 611 CB LEU A 39 -8.705 -2.719 2.914 1.00 0.00 C ATOM 612 CG LEU A 39 -9.215 -1.839 1.766 1.00 0.00 C ATOM 613 CD1 LEU A 39 -10.730 -1.711 1.840 1.00 0.00 C ATOM 614 CD2 LEU A 39 -8.554 -0.470 1.842 1.00 0.00 C ATOM 0 H LEU A 39 -7.896 -4.422 1.322 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.634 -2.234 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.309 -3.625 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.863 -2.190 3.854 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.958 -2.300 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.083 -1.084 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.183 -2.699 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.011 -1.257 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.917 0.155 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.798 -0.000 2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.473 -0.583 1.760 1.00 0.00 H new ATOM 626 N VAL A 40 -6.928 -4.982 4.345 1.00 0.00 N ATOM 627 CA VAL A 40 -6.479 -5.649 5.562 1.00 0.00 C ATOM 628 C VAL A 40 -4.962 -5.594 5.690 1.00 0.00 C ATOM 629 O VAL A 40 -4.431 -5.280 6.755 1.00 0.00 O ATOM 630 CB VAL A 40 -6.938 -7.119 5.602 1.00 0.00 C ATOM 631 CG1 VAL A 40 -6.257 -7.857 6.745 1.00 0.00 C ATOM 632 CG2 VAL A 40 -8.449 -7.202 5.741 1.00 0.00 C ATOM 0 H VAL A 40 -7.384 -5.597 3.671 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.930 -5.116 6.399 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.652 -7.595 4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.592 -8.894 6.759 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.176 -7.827 6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.514 -7.380 7.691 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.755 -8.248 5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.757 -6.710 6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.920 -6.708 4.892 1.00 0.00 H new ATOM 642 N THR A 41 -4.270 -5.905 4.600 1.00 0.00 N ATOM 643 CA THR A 41 -2.812 -5.950 4.605 1.00 0.00 C ATOM 644 C THR A 41 -2.218 -4.549 4.628 1.00 0.00 C ATOM 645 O THR A 41 -1.113 -4.341 5.131 1.00 0.00 O ATOM 646 CB THR A 41 -2.266 -6.708 3.380 1.00 0.00 C ATOM 647 OG1 THR A 41 -2.745 -6.090 2.180 1.00 0.00 O ATOM 648 CG2 THR A 41 -2.713 -8.162 3.411 1.00 0.00 C ATOM 0 H THR A 41 -4.695 -6.130 3.701 1.00 0.00 H new ATOM 0 HA THR A 41 -2.518 -6.481 5.510 1.00 0.00 H new ATOM 0 HB THR A 41 -1.177 -6.672 3.405 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.383 -5.382 2.409 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.318 -8.683 2.538 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.339 -8.638 4.317 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.802 -8.208 3.399 1.00 0.00 H new ATOM 656 N LEU A 42 -2.956 -3.589 4.081 1.00 0.00 N ATOM 657 CA LEU A 42 -2.569 -2.185 4.159 1.00 0.00 C ATOM 658 C LEU A 42 -2.707 -1.655 5.581 1.00 0.00 C ATOM 659 O LEU A 42 -1.859 -0.901 6.058 1.00 0.00 O ATOM 660 CB LEU A 42 -3.414 -1.347 3.192 1.00 0.00 C ATOM 661 CG LEU A 42 -3.056 -1.503 1.709 1.00 0.00 C ATOM 662 CD1 LEU A 42 -4.119 -0.842 0.843 1.00 0.00 C ATOM 663 CD2 LEU A 42 -1.689 -0.887 1.450 1.00 0.00 C ATOM 0 H LEU A 42 -3.827 -3.758 3.578 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.521 -2.106 3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.462 -1.613 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.315 -0.296 3.465 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.018 -2.562 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.856 -0.958 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.084 -1.312 1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.179 0.219 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.434 -0.998 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.712 0.172 1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.940 -1.393 2.060 1.00 0.00 H new ATOM 675 N THR A 43 -3.781 -2.052 6.253 1.00 0.00 N ATOM 676 CA THR A 43 -3.989 -1.691 7.651 1.00 0.00 C ATOM 677 C THR A 43 -2.943 -2.341 8.548 1.00 0.00 C ATOM 678 O THR A 43 -2.482 -1.738 9.518 1.00 0.00 O ATOM 679 CB THR A 43 -5.392 -2.097 8.139 1.00 0.00 C ATOM 680 OG1 THR A 43 -6.384 -1.381 7.393 1.00 0.00 O ATOM 681 CG2 THR A 43 -5.552 -1.787 9.619 1.00 0.00 C ATOM 0 H THR A 43 -4.523 -2.625 5.852 1.00 0.00 H new ATOM 0 HA THR A 43 -3.894 -0.607 7.712 1.00 0.00 H new ATOM 0 HB THR A 43 -5.518 -3.169 7.988 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.488 -1.791 6.509 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.549 -2.080 9.946 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.806 -2.340 10.189 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.416 -0.718 9.784 1.00 0.00 H new ATOM 689 N ARG A 44 -2.573 -3.574 8.219 1.00 0.00 N ATOM 690 CA ARG A 44 -1.534 -4.284 8.957 1.00 0.00 C ATOM 691 C ARG A 44 -0.206 -3.542 8.889 1.00 0.00 C ATOM 692 O ARG A 44 0.488 -3.399 9.896 1.00 0.00 O ATOM 693 CB ARG A 44 -1.389 -5.728 8.498 1.00 0.00 C ATOM 694 CG ARG A 44 -2.499 -6.659 8.961 1.00 0.00 C ATOM 695 CD ARG A 44 -2.415 -8.035 8.405 1.00 0.00 C ATOM 696 NE ARG A 44 -3.465 -8.933 8.859 1.00 0.00 N ATOM 697 CZ ARG A 44 -3.612 -10.207 8.449 1.00 0.00 C ATOM 698 NH1 ARG A 44 -2.807 -10.726 7.548 1.00 0.00 N ATOM 699 NH2 ARG A 44 -4.605 -10.916 8.956 1.00 0.00 N ATOM 0 H ARG A 44 -2.977 -4.103 7.446 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.847 -4.315 10.001 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.350 -5.746 7.409 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.436 -6.115 8.858 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.478 -6.718 10.049 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.460 -6.226 8.684 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.449 -7.977 7.317 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.448 -8.463 8.671 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.137 -8.572 9.536 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.057 -10.162 7.149 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.932 -11.693 7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.235 -10.495 9.639 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.741 -11.884 8.664 1.00 0.00 H new ATOM 713 N LEU A 45 0.146 -3.073 7.696 1.00 0.00 N ATOM 714 CA LEU A 45 1.371 -2.307 7.503 1.00 0.00 C ATOM 715 C LEU A 45 1.279 -0.943 8.173 1.00 0.00 C ATOM 716 O LEU A 45 2.243 -0.470 8.776 1.00 0.00 O ATOM 717 CB LEU A 45 1.666 -2.149 6.006 1.00 0.00 C ATOM 718 CG LEU A 45 2.094 -3.434 5.286 1.00 0.00 C ATOM 719 CD1 LEU A 45 2.130 -3.201 3.781 1.00 0.00 C ATOM 720 CD2 LEU A 45 3.456 -3.875 5.796 1.00 0.00 C ATOM 0 H LEU A 45 -0.402 -3.211 6.847 1.00 0.00 H new ATOM 0 HA LEU A 45 2.190 -2.854 7.969 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.775 -1.756 5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.452 -1.404 5.883 1.00 0.00 H new ATOM 0 HG LEU A 45 1.372 -4.224 5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.435 -4.119 3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.139 -2.909 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.842 -2.408 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.758 -4.788 5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.188 -3.091 5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.400 -4.063 6.868 1.00 0.00 H new ATOM 732 N HIS A 46 0.115 -0.312 8.064 1.00 0.00 N ATOM 733 CA HIS A 46 -0.106 1.000 8.658 1.00 0.00 C ATOM 734 C HIS A 46 0.025 0.948 10.175 1.00 0.00 C ATOM 735 O HIS A 46 0.671 1.802 10.781 1.00 0.00 O ATOM 736 CB HIS A 46 -1.484 1.546 8.271 1.00 0.00 C ATOM 737 CG HIS A 46 -1.787 2.888 8.862 1.00 0.00 C ATOM 738 ND1 HIS A 46 -1.205 4.051 8.405 1.00 0.00 N ATOM 739 CD2 HIS A 46 -2.611 3.250 9.873 1.00 0.00 C ATOM 740 CE1 HIS A 46 -1.658 5.073 9.110 1.00 0.00 C ATOM 741 NE2 HIS A 46 -2.512 4.614 10.008 1.00 0.00 N ATOM 0 H HIS A 46 -0.692 -0.690 7.568 1.00 0.00 H new ATOM 0 HA HIS A 46 0.661 1.670 8.269 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.546 1.615 7.185 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.248 0.837 8.590 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.230 2.591 10.463 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.378 6.107 8.975 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.016 5.180 10.691 1.00 0.00 H new ATOM 749 N GLN A 47 -0.589 -0.061 10.783 1.00 0.00 N ATOM 750 CA GLN A 47 -0.531 -0.234 12.229 1.00 0.00 C ATOM 751 C GLN A 47 0.847 -0.709 12.673 1.00 0.00 C ATOM 752 O GLN A 47 1.304 -0.381 13.767 1.00 0.00 O ATOM 753 CB GLN A 47 -1.596 -1.233 12.693 1.00 0.00 C ATOM 754 CG GLN A 47 -3.023 -0.739 12.531 1.00 0.00 C ATOM 755 CD GLN A 47 -3.303 0.506 13.350 1.00 0.00 C ATOM 756 OE1 GLN A 47 -2.879 0.614 14.505 1.00 0.00 O ATOM 757 NE2 GLN A 47 -4.021 1.453 12.758 1.00 0.00 N ATOM 0 H GLN A 47 -1.133 -0.773 10.295 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.726 0.736 12.686 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.478 -2.160 12.132 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.422 -1.471 13.742 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.214 -0.528 11.479 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.713 -1.528 12.828 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.350 1.320 11.802 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.243 2.313 13.259 1.00 0.00 H new ATOM 766 N ARG A 48 1.503 -1.484 11.816 1.00 0.00 N ATOM 767 CA ARG A 48 2.869 -1.923 12.073 1.00 0.00 C ATOM 768 C ARG A 48 3.824 -0.738 12.140 1.00 0.00 C ATOM 769 O ARG A 48 4.774 -0.736 12.925 1.00 0.00 O ATOM 770 CB ARG A 48 3.340 -2.959 11.063 1.00 0.00 C ATOM 771 CG ARG A 48 4.745 -3.489 11.296 1.00 0.00 C ATOM 772 CD ARG A 48 5.166 -4.550 10.345 1.00 0.00 C ATOM 773 NE ARG A 48 6.545 -4.985 10.498 1.00 0.00 N ATOM 774 CZ ARG A 48 7.193 -5.790 9.635 1.00 0.00 C ATOM 775 NH1 ARG A 48 6.584 -6.280 8.579 1.00 0.00 N ATOM 776 NH2 ARG A 48 8.455 -6.094 9.892 1.00 0.00 N ATOM 0 H ARG A 48 1.110 -1.821 10.937 1.00 0.00 H new ATOM 0 HA ARG A 48 2.870 -2.411 13.048 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.645 -3.798 11.074 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.294 -2.520 10.066 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.449 -2.659 11.231 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.809 -3.882 12.311 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.511 -5.412 10.469 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.024 -4.185 9.328 1.00 0.00 H new ATOM 0 HE ARG A 48 7.057 -4.657 11.317 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.606 -6.052 8.403 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.090 -6.888 7.935 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.910 -5.721 10.725 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.973 -6.702 9.257 1.00 0.00 H new ATOM 790 N GLY A 49 3.567 0.272 11.316 1.00 0.00 N ATOM 791 CA GLY A 49 4.409 1.460 11.272 1.00 0.00 C ATOM 792 C GLY A 49 5.333 1.438 10.061 1.00 0.00 C ATOM 793 O GLY A 49 6.433 1.989 10.097 1.00 0.00 O ATOM 0 H GLY A 49 2.780 0.291 10.668 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.783 2.351 11.238 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.003 1.522 12.184 1.00 0.00 H new ATOM 797 N VAL A 50 4.880 0.795 8.989 1.00 0.00 N ATOM 798 CA VAL A 50 5.654 0.721 7.756 1.00 0.00 C ATOM 799 C VAL A 50 5.193 1.769 6.751 1.00 0.00 C ATOM 800 O VAL A 50 6.009 2.447 6.129 1.00 0.00 O ATOM 801 CB VAL A 50 5.556 -0.674 7.110 1.00 0.00 C ATOM 802 CG1 VAL A 50 6.331 -0.711 5.802 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.072 -1.741 8.064 1.00 0.00 C ATOM 0 H VAL A 50 3.980 0.317 8.950 1.00 0.00 H new ATOM 0 HA VAL A 50 6.692 0.914 8.026 1.00 0.00 H new ATOM 0 HB VAL A 50 4.507 -0.881 6.896 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.251 -1.704 5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.919 0.027 5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.379 -0.483 5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.995 -2.720 7.591 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.114 -1.537 8.309 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.477 -1.731 8.977 1.00 0.00 H new ATOM 813 N ILE A 51 3.879 1.897 6.600 1.00 0.00 N ATOM 814 CA ILE A 51 3.305 2.846 5.654 1.00 0.00 C ATOM 815 C ILE A 51 2.377 3.828 6.354 1.00 0.00 C ATOM 816 O ILE A 51 2.032 3.648 7.522 1.00 0.00 O ATOM 817 CB ILE A 51 2.531 2.129 4.532 1.00 0.00 C ATOM 818 CG1 ILE A 51 1.337 1.367 5.113 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.449 1.188 3.770 1.00 0.00 C ATOM 820 CD1 ILE A 51 0.421 0.778 4.065 1.00 0.00 C ATOM 0 H ILE A 51 3.191 1.354 7.122 1.00 0.00 H new ATOM 0 HA ILE A 51 4.138 3.393 5.213 1.00 0.00 H new ATOM 0 HB ILE A 51 2.155 2.878 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.706 0.565 5.752 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.762 2.041 5.748 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.886 0.690 2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.267 1.757 3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.854 0.442 4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.401 0.254 4.553 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.022 1.577 3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.981 0.078 3.445 1.00 0.00 H new ATOM 832 N TYR A 52 1.972 4.869 5.633 1.00 0.00 N ATOM 833 CA TYR A 52 1.059 5.869 6.176 1.00 0.00 C ATOM 834 C TYR A 52 -0.042 6.208 5.179 1.00 0.00 C ATOM 835 O TYR A 52 0.210 6.336 3.981 1.00 0.00 O ATOM 836 CB TYR A 52 1.823 7.137 6.565 1.00 0.00 C ATOM 837 CG TYR A 52 0.938 8.258 7.062 1.00 0.00 C ATOM 838 CD1 TYR A 52 0.403 8.231 8.341 1.00 0.00 C ATOM 839 CD2 TYR A 52 0.640 9.341 6.249 1.00 0.00 C ATOM 840 CE1 TYR A 52 -0.407 9.252 8.800 1.00 0.00 C ATOM 841 CE2 TYR A 52 -0.167 10.368 6.697 1.00 0.00 C ATOM 842 CZ TYR A 52 -0.690 10.321 7.973 1.00 0.00 C ATOM 843 OH TYR A 52 -1.493 11.341 8.424 1.00 0.00 O ATOM 0 H TYR A 52 2.262 5.042 4.671 1.00 0.00 H new ATOM 0 HA TYR A 52 0.595 5.447 7.067 1.00 0.00 H new ATOM 0 HB2 TYR A 52 2.548 6.889 7.340 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.387 7.489 5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.623 7.397 8.990 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.046 9.382 5.249 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.816 9.214 9.799 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.388 11.205 6.051 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.592 12.015 7.720 1.00 0.00 H new ATOM 853 N ARG A 53 -1.263 6.354 5.682 1.00 0.00 N ATOM 854 CA ARG A 53 -2.419 6.601 4.826 1.00 0.00 C ATOM 855 C ARG A 53 -3.083 7.929 5.168 1.00 0.00 C ATOM 856 O ARG A 53 -3.064 8.364 6.321 1.00 0.00 O ATOM 857 CB ARG A 53 -3.417 5.453 4.865 1.00 0.00 C ATOM 858 CG ARG A 53 -4.129 5.269 6.196 1.00 0.00 C ATOM 859 CD ARG A 53 -4.877 3.991 6.318 1.00 0.00 C ATOM 860 NE ARG A 53 -5.503 3.780 7.613 1.00 0.00 N ATOM 861 CZ ARG A 53 -5.938 2.589 8.068 1.00 0.00 C ATOM 862 NH1 ARG A 53 -5.855 1.509 7.324 1.00 0.00 N ATOM 863 NH2 ARG A 53 -6.476 2.540 9.274 1.00 0.00 N ATOM 0 H ARG A 53 -1.478 6.306 6.678 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.052 6.665 3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.165 5.614 4.089 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.895 4.529 4.618 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.394 5.324 6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.822 6.097 6.341 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.647 3.960 5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.194 3.165 6.120 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.621 4.591 8.220 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.456 1.565 6.387 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.189 0.615 7.684 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.553 3.390 9.833 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.814 1.653 9.646 1.00 0.00 H new ATOM 877 N LYS A 54 -3.668 8.568 4.162 1.00 0.00 N ATOM 878 CA LYS A 54 -4.300 9.868 4.345 1.00 0.00 C ATOM 879 C LYS A 54 -5.294 10.161 3.228 1.00 0.00 C ATOM 880 O LYS A 54 -5.230 9.560 2.154 1.00 0.00 O ATOM 881 CB LYS A 54 -3.245 10.974 4.411 1.00 0.00 C ATOM 882 CG LYS A 54 -2.451 11.163 3.125 1.00 0.00 C ATOM 883 CD LYS A 54 -1.437 12.289 3.261 1.00 0.00 C ATOM 884 CE LYS A 54 -0.634 12.469 1.981 1.00 0.00 C ATOM 885 NZ LYS A 54 0.355 13.575 2.097 1.00 0.00 N ATOM 0 H LYS A 54 -3.718 8.206 3.210 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.845 9.841 5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.737 11.914 4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.552 10.751 5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.936 10.236 2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.133 11.382 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.953 13.218 3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.762 12.075 4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.114 11.540 1.745 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.312 12.674 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.881 13.665 1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.143 14.466 2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.018 13.368 2.871 1.00 0.00 H new ATOM 899 N TRP A 55 -6.213 11.085 3.485 1.00 0.00 N ATOM 900 CA TRP A 55 -7.259 11.413 2.526 1.00 0.00 C ATOM 901 C TRP A 55 -6.878 12.625 1.686 1.00 0.00 C ATOM 902 O TRP A 55 -6.255 13.564 2.181 1.00 0.00 O ATOM 903 CB TRP A 55 -8.583 11.672 3.250 1.00 0.00 C ATOM 904 CG TRP A 55 -9.172 10.446 3.877 1.00 0.00 C ATOM 905 CD1 TRP A 55 -8.961 9.997 5.146 1.00 0.00 C ATOM 906 CD2 TRP A 55 -10.068 9.510 3.264 1.00 0.00 C ATOM 907 NE1 TRP A 55 -9.668 8.841 5.365 1.00 0.00 N ATOM 908 CE2 TRP A 55 -10.359 8.522 4.223 1.00 0.00 C ATOM 909 CE3 TRP A 55 -10.656 9.415 1.996 1.00 0.00 C ATOM 910 CZ2 TRP A 55 -11.202 7.454 3.957 1.00 0.00 C ATOM 911 CZ3 TRP A 55 -11.502 8.345 1.732 1.00 0.00 C ATOM 912 CH2 TRP A 55 -11.769 7.394 2.685 1.00 0.00 C ATOM 0 H TRP A 55 -6.254 11.621 4.352 1.00 0.00 H new ATOM 0 HA TRP A 55 -7.378 10.560 1.858 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.424 12.425 4.022 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -9.300 12.088 2.542 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -8.328 10.481 5.875 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -9.678 8.307 6.234 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -10.456 10.159 1.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.410 6.701 4.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -11.959 8.260 0.757 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -12.435 6.579 2.443 1.00 0.00 H new ATOM 923 N ARG A 56 -7.256 12.599 0.413 1.00 0.00 N ATOM 924 CA ARG A 56 -7.024 13.729 -0.479 1.00 0.00 C ATOM 925 C ARG A 56 -8.262 14.037 -1.312 1.00 0.00 C ATOM 926 O ARG A 56 -8.789 13.165 -2.003 1.00 0.00 O ATOM 927 CB ARG A 56 -5.799 13.526 -1.357 1.00 0.00 C ATOM 928 CG ARG A 56 -5.525 14.652 -2.343 1.00 0.00 C ATOM 929 CD ARG A 56 -4.266 14.495 -3.116 1.00 0.00 C ATOM 930 NE ARG A 56 -4.264 13.376 -4.042 1.00 0.00 N ATOM 931 CZ ARG A 56 -4.737 13.423 -5.304 1.00 0.00 C ATOM 932 NH1 ARG A 56 -5.283 14.519 -5.781 1.00 0.00 N ATOM 933 NH2 ARG A 56 -4.656 12.330 -6.043 1.00 0.00 N ATOM 0 H ARG A 56 -7.725 11.806 -0.025 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.820 14.596 0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.926 13.404 -0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.918 12.596 -1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.360 14.720 -3.041 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.488 15.595 -1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.080 15.413 -3.674 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.438 14.374 -2.417 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.877 12.491 -3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.354 15.350 -5.194 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.636 14.538 -6.738 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.244 11.481 -5.655 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.005 12.335 -7.001 1.00 0.00 H new ATOM 947 N HIS A 57 -8.723 15.281 -1.241 1.00 0.00 N ATOM 948 CA HIS A 57 -9.874 15.718 -2.023 1.00 0.00 C ATOM 949 C HIS A 57 -9.534 15.793 -3.507 1.00 0.00 C ATOM 950 O HIS A 57 -8.495 16.333 -3.888 1.00 0.00 O ATOM 951 CB HIS A 57 -10.377 17.078 -1.532 1.00 0.00 C ATOM 952 CG HIS A 57 -11.694 17.481 -2.121 1.00 0.00 C ATOM 953 ND1 HIS A 57 -11.799 18.154 -3.320 1.00 0.00 N ATOM 954 CD2 HIS A 57 -12.961 17.304 -1.676 1.00 0.00 C ATOM 955 CE1 HIS A 57 -13.074 18.376 -3.586 1.00 0.00 C ATOM 956 NE2 HIS A 57 -13.799 17.869 -2.606 1.00 0.00 N ATOM 0 H HIS A 57 -8.317 16.006 -0.649 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.665 14.980 -1.888 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -10.467 17.052 -0.446 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -9.634 17.839 -1.772 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -13.257 16.811 -0.762 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.458 18.886 -4.457 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -14.817 17.893 -2.549 1.00 0.00 H new ATOM 964 N PHE A 58 -10.415 15.249 -4.339 1.00 0.00 N ATOM 965 CA PHE A 58 -10.180 15.197 -5.777 1.00 0.00 C ATOM 966 C PHE A 58 -11.493 15.126 -6.547 1.00 0.00 C ATOM 967 O PHE A 58 -12.256 14.171 -6.404 1.00 0.00 O ATOM 968 CB PHE A 58 -9.295 14.001 -6.132 1.00 0.00 C ATOM 969 CG PHE A 58 -8.976 13.895 -7.596 1.00 0.00 C ATOM 970 CD1 PHE A 58 -8.081 14.773 -8.189 1.00 0.00 C ATOM 971 CD2 PHE A 58 -9.568 12.919 -8.381 1.00 0.00 C ATOM 972 CE1 PHE A 58 -7.786 14.678 -9.536 1.00 0.00 C ATOM 973 CE2 PHE A 58 -9.274 12.821 -9.727 1.00 0.00 C ATOM 974 CZ PHE A 58 -8.382 13.701 -10.305 1.00 0.00 C ATOM 0 H PHE A 58 -11.300 14.837 -4.042 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.666 16.114 -6.065 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.363 14.072 -5.571 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.792 13.085 -5.811 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.609 15.539 -7.592 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -10.267 12.227 -7.935 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.089 15.369 -9.986 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.742 12.055 -10.327 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.151 13.625 -11.357 1.00 0.00 H new ATOM 984 N SER A 59 -11.749 16.140 -7.366 1.00 0.00 N ATOM 985 CA SER A 59 -12.909 16.138 -8.249 1.00 0.00 C ATOM 986 C SER A 59 -14.202 15.993 -7.459 1.00 0.00 C ATOM 987 O SER A 59 -15.153 15.360 -7.916 1.00 0.00 O ATOM 988 CB SER A 59 -12.785 15.023 -9.269 1.00 0.00 C ATOM 989 OG SER A 59 -11.652 15.174 -10.079 1.00 0.00 O ATOM 0 H SER A 59 -11.168 16.975 -7.437 1.00 0.00 H new ATOM 0 HA SER A 59 -12.941 17.095 -8.770 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.736 14.064 -8.753 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.677 15.003 -9.895 1.00 0.00 H new ATOM 0 HG SER A 59 -11.002 14.472 -9.867 1.00 0.00 H new ATOM 995 N GLY A 60 -14.232 16.583 -6.268 1.00 0.00 N ATOM 996 CA GLY A 60 -15.456 16.655 -5.478 1.00 0.00 C ATOM 997 C GLY A 60 -15.567 15.469 -4.528 1.00 0.00 C ATOM 998 O GLY A 60 -16.526 15.364 -3.763 1.00 0.00 O ATOM 0 H GLY A 60 -13.421 17.019 -5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.470 17.584 -4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.320 16.675 -6.142 1.00 0.00 H new ATOM 1002 N ARG A 61 -14.581 14.581 -4.579 1.00 0.00 N ATOM 1003 CA ARG A 61 -14.596 13.370 -3.766 1.00 0.00 C ATOM 1004 C ARG A 61 -13.240 13.124 -3.118 1.00 0.00 C ATOM 1005 O ARG A 61 -12.200 13.267 -3.761 1.00 0.00 O ATOM 1006 CB ARG A 61 -15.066 12.157 -4.556 1.00 0.00 C ATOM 1007 CG ARG A 61 -16.503 12.229 -5.046 1.00 0.00 C ATOM 1008 CD ARG A 61 -17.523 12.160 -3.968 1.00 0.00 C ATOM 1009 NE ARG A 61 -18.898 12.143 -4.439 1.00 0.00 N ATOM 1010 CZ ARG A 61 -19.631 13.241 -4.701 1.00 0.00 C ATOM 1011 NH1 ARG A 61 -19.142 14.445 -4.506 1.00 0.00 N ATOM 1012 NH2 ARG A 61 -20.868 13.077 -5.138 1.00 0.00 N ATOM 0 H ARG A 61 -13.759 14.677 -5.176 1.00 0.00 H new ATOM 0 HA ARG A 61 -15.322 13.527 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.410 12.026 -5.417 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.954 11.270 -3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -16.639 13.158 -5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.677 11.412 -5.747 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.345 11.264 -3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -17.390 13.014 -3.304 1.00 0.00 H new ATOM 0 HE ARG A 61 -19.339 11.234 -4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.193 14.558 -4.151 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.712 15.266 -4.710 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -21.243 12.137 -5.268 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.448 13.890 -5.345 1.00 0.00 H new ATOM 1026 N LYS A 62 -13.259 12.752 -1.843 1.00 0.00 N ATOM 1027 CA LYS A 62 -12.032 12.459 -1.113 1.00 0.00 C ATOM 1028 C LYS A 62 -11.635 10.996 -1.267 1.00 0.00 C ATOM 1029 O LYS A 62 -12.435 10.096 -1.008 1.00 0.00 O ATOM 1030 CB LYS A 62 -12.193 12.807 0.367 1.00 0.00 C ATOM 1031 CG LYS A 62 -12.326 14.297 0.653 1.00 0.00 C ATOM 1032 CD LYS A 62 -12.498 14.561 2.141 1.00 0.00 C ATOM 1033 CE LYS A 62 -12.619 16.051 2.429 1.00 0.00 C ATOM 1034 NZ LYS A 62 -12.799 16.325 3.880 1.00 0.00 N ATOM 0 H LYS A 62 -14.112 12.646 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.238 13.074 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.074 12.295 0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.333 12.420 0.914 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.442 14.820 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.181 14.699 0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.387 14.045 2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.647 14.151 2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.726 16.563 2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.464 16.460 1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.877 17.351 4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.665 15.858 4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.981 15.958 4.407 1.00 0.00 H new ATOM 1048 N TYR A 63 -10.398 10.765 -1.691 1.00 0.00 N ATOM 1049 CA TYR A 63 -9.877 9.411 -1.836 1.00 0.00 C ATOM 1050 C TYR A 63 -8.670 9.185 -0.934 1.00 0.00 C ATOM 1051 O TYR A 63 -7.869 10.093 -0.712 1.00 0.00 O ATOM 1052 CB TYR A 63 -9.503 9.135 -3.293 1.00 0.00 C ATOM 1053 CG TYR A 63 -10.660 9.260 -4.257 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -11.519 8.193 -4.481 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -10.890 10.443 -4.945 1.00 0.00 C ATOM 1056 CE1 TYR A 63 -12.578 8.302 -5.361 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -11.947 10.563 -5.827 1.00 0.00 C ATOM 1058 CZ TYR A 63 -12.788 9.489 -6.032 1.00 0.00 C ATOM 1059 OH TYR A 63 -13.842 9.602 -6.912 1.00 0.00 O ATOM 0 H TYR A 63 -9.736 11.500 -1.941 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.662 8.718 -1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.716 9.827 -3.593 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.088 8.130 -3.367 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.357 7.262 -3.958 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.231 11.285 -4.788 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -13.238 7.463 -5.523 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -12.114 11.492 -6.352 1.00 0.00 H new ATOM 0 HH TYR A 63 -13.850 10.502 -7.300 1.00 0.00 H new ATOM 1069 N ARG A 64 -8.545 7.967 -0.415 1.00 0.00 N ATOM 1070 CA ARG A 64 -7.464 7.634 0.505 1.00 0.00 C ATOM 1071 C ARG A 64 -6.259 7.076 -0.241 1.00 0.00 C ATOM 1072 O ARG A 64 -6.390 6.165 -1.059 1.00 0.00 O ATOM 1073 CB ARG A 64 -7.921 6.694 1.610 1.00 0.00 C ATOM 1074 CG ARG A 64 -6.948 6.548 2.769 1.00 0.00 C ATOM 1075 CD ARG A 64 -7.506 5.843 3.951 1.00 0.00 C ATOM 1076 NE ARG A 64 -7.794 4.436 3.734 1.00 0.00 N ATOM 1077 CZ ARG A 64 -8.854 3.782 4.249 1.00 0.00 C ATOM 1078 NH1 ARG A 64 -9.706 4.395 5.041 1.00 0.00 N ATOM 1079 NH2 ARG A 64 -9.002 2.502 3.957 1.00 0.00 N ATOM 0 H ARG A 64 -9.180 7.194 -0.616 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.156 8.561 0.989 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.875 7.050 1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.100 5.709 1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.066 6.009 2.422 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.615 7.540 3.076 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.801 5.933 4.778 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.423 6.345 4.258 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.148 3.905 3.150 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.569 5.379 5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.504 3.887 5.423 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.323 2.034 3.356 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.795 1.982 4.333 1.00 0.00 H new ATOM 1093 N GLU A 65 -5.085 7.625 0.047 1.00 0.00 N ATOM 1094 CA GLU A 65 -3.852 7.175 -0.587 1.00 0.00 C ATOM 1095 C GLU A 65 -2.914 6.534 0.428 1.00 0.00 C ATOM 1096 O GLU A 65 -2.963 6.846 1.618 1.00 0.00 O ATOM 1097 CB GLU A 65 -3.152 8.342 -1.287 1.00 0.00 C ATOM 1098 CG GLU A 65 -3.935 8.943 -2.443 1.00 0.00 C ATOM 1099 CD GLU A 65 -3.160 10.041 -3.117 1.00 0.00 C ATOM 1100 OE1 GLU A 65 -2.052 10.296 -2.709 1.00 0.00 O ATOM 1101 OE2 GLU A 65 -3.627 10.548 -4.110 1.00 0.00 O ATOM 0 H GLU A 65 -4.961 8.384 0.717 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.115 6.423 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.954 9.123 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.186 8.000 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.172 8.164 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.883 9.336 -2.077 1.00 0.00 H new ATOM 1108 N TYR A 66 -2.059 5.636 -0.049 1.00 0.00 N ATOM 1109 CA TYR A 66 -1.108 4.948 0.816 1.00 0.00 C ATOM 1110 C TYR A 66 0.326 5.219 0.383 1.00 0.00 C ATOM 1111 O TYR A 66 0.681 5.033 -0.781 1.00 0.00 O ATOM 1112 CB TYR A 66 -1.379 3.441 0.820 1.00 0.00 C ATOM 1113 CG TYR A 66 -2.699 3.056 1.450 1.00 0.00 C ATOM 1114 CD1 TYR A 66 -3.880 3.122 0.726 1.00 0.00 C ATOM 1115 CD2 TYR A 66 -2.758 2.628 2.769 1.00 0.00 C ATOM 1116 CE1 TYR A 66 -5.089 2.773 1.299 1.00 0.00 C ATOM 1117 CE2 TYR A 66 -3.960 2.275 3.350 1.00 0.00 C ATOM 1118 CZ TYR A 66 -5.124 2.349 2.612 1.00 0.00 C ATOM 1119 OH TYR A 66 -6.324 1.997 3.186 1.00 0.00 O ATOM 0 H TYR A 66 -2.005 5.367 -1.031 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.238 5.334 1.827 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.358 3.075 -0.207 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.573 2.938 1.354 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.855 3.451 -0.302 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.850 2.570 3.350 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.000 2.832 0.723 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.989 1.943 4.377 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.174 1.721 4.114 1.00 0.00 H new ATOM 1129 N CYS A 67 1.151 5.662 1.327 1.00 0.00 N ATOM 1130 CA CYS A 67 2.516 6.072 1.021 1.00 0.00 C ATOM 1131 C CYS A 67 3.509 5.452 1.996 1.00 0.00 C ATOM 1132 O CYS A 67 3.277 5.433 3.205 1.00 0.00 O ATOM 1133 CB CYS A 67 2.461 7.590 1.201 1.00 0.00 C ATOM 1134 SG CYS A 67 4.032 8.437 0.907 1.00 0.00 S ATOM 0 H CYS A 67 0.897 5.746 2.311 1.00 0.00 H new ATOM 0 HA CYS A 67 2.844 5.760 0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 67 1.711 7.997 0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 67 2.128 7.811 2.215 1.00 0.00 H new ATOM 0 HG CYS A 67 3.875 9.715 1.083 1.00 0.00 H new ATOM 1140 N LEU A 68 4.615 4.946 1.463 1.00 0.00 N ATOM 1141 CA LEU A 68 5.644 4.320 2.285 1.00 0.00 C ATOM 1142 C LEU A 68 6.222 5.308 3.291 1.00 0.00 C ATOM 1143 O LEU A 68 6.683 6.387 2.921 1.00 0.00 O ATOM 1144 CB LEU A 68 6.758 3.750 1.397 1.00 0.00 C ATOM 1145 CG LEU A 68 7.837 2.949 2.136 1.00 0.00 C ATOM 1146 CD1 LEU A 68 7.229 1.694 2.749 1.00 0.00 C ATOM 1147 CD2 LEU A 68 8.955 2.589 1.170 1.00 0.00 C ATOM 0 H LEU A 68 4.822 4.957 0.464 1.00 0.00 H new ATOM 0 HA LEU A 68 5.183 3.505 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.305 3.108 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.238 4.574 0.869 1.00 0.00 H new ATOM 0 HG LEU A 68 8.251 3.556 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.003 1.132 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.447 1.976 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.801 1.075 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.721 2.020 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.552 1.988 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.394 3.501 0.766 1.00 0.00 H new ATOM 1159 N LYS A 69 6.196 4.931 4.564 1.00 0.00 N ATOM 1160 CA LYS A 69 6.644 5.813 5.634 1.00 0.00 C ATOM 1161 C LYS A 69 8.096 5.539 6.003 1.00 0.00 C ATOM 1162 O LYS A 69 8.911 6.457 6.078 1.00 0.00 O ATOM 1163 CB LYS A 69 5.750 5.658 6.867 1.00 0.00 C ATOM 1164 CG LYS A 69 6.085 6.606 8.011 1.00 0.00 C ATOM 1165 CD LYS A 69 5.131 6.421 9.179 1.00 0.00 C ATOM 1166 CE LYS A 69 5.423 7.415 10.296 1.00 0.00 C ATOM 1167 NZ LYS A 69 4.430 7.319 11.401 1.00 0.00 N ATOM 0 H LYS A 69 5.869 4.018 4.880 1.00 0.00 H new ATOM 0 HA LYS A 69 6.572 6.838 5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.713 5.817 6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.824 4.632 7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 69 7.108 6.431 8.343 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.036 7.636 7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.104 6.548 8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.216 5.404 9.563 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.423 7.234 10.690 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.418 8.427 9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.665 8.012 12.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.478 7.517 11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.452 6.361 11.805 1.00 0.00 H new ATOM 1181 N HIS A 70 8.413 4.269 6.232 1.00 0.00 N ATOM 1182 CA HIS A 70 9.777 3.866 6.552 1.00 0.00 C ATOM 1183 C HIS A 70 10.345 2.945 5.479 1.00 0.00 C ATOM 1184 O HIS A 70 9.609 2.194 4.839 1.00 0.00 O ATOM 1185 CB HIS A 70 9.831 3.174 7.918 1.00 0.00 C ATOM 1186 CG HIS A 70 9.519 4.083 9.065 1.00 0.00 C ATOM 1187 ND1 HIS A 70 10.488 4.810 9.723 1.00 0.00 N ATOM 1188 CD2 HIS A 70 8.347 4.383 9.671 1.00 0.00 C ATOM 1189 CE1 HIS A 70 9.924 5.520 10.687 1.00 0.00 C ATOM 1190 NE2 HIS A 70 8.627 5.278 10.675 1.00 0.00 N ATOM 0 H HIS A 70 7.743 3.501 6.202 1.00 0.00 H new ATOM 0 HA HIS A 70 10.388 4.768 6.589 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.126 2.343 7.922 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.825 2.750 8.062 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.374 3.992 9.414 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.437 6.184 11.367 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.942 5.689 11.309 1.00 0.00 H new ATOM 1198 N ARG A 71 11.659 3.007 5.288 1.00 0.00 N ATOM 1199 CA ARG A 71 12.318 2.237 4.241 1.00 0.00 C ATOM 1200 C ARG A 71 13.057 1.037 4.820 1.00 0.00 C ATOM 1201 O ARG A 71 13.898 0.433 4.155 1.00 0.00 O ATOM 1202 CB ARG A 71 13.237 3.097 3.386 1.00 0.00 C ATOM 1203 CG ARG A 71 12.534 4.183 2.585 1.00 0.00 C ATOM 1204 CD ARG A 71 13.445 5.029 1.772 1.00 0.00 C ATOM 1205 NE ARG A 71 12.774 6.056 0.990 1.00 0.00 N ATOM 1206 CZ ARG A 71 13.406 6.998 0.263 1.00 0.00 C ATOM 1207 NH1 ARG A 71 14.718 7.072 0.244 1.00 0.00 N ATOM 1208 NH2 ARG A 71 12.670 7.861 -0.414 1.00 0.00 N ATOM 0 H ARG A 71 12.289 3.584 5.846 1.00 0.00 H new ATOM 0 HA ARG A 71 11.536 1.861 3.582 1.00 0.00 H new ATOM 0 HB2 ARG A 71 13.979 3.565 4.033 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.779 2.450 2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.804 3.716 1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.979 4.823 3.271 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.165 5.507 2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.011 4.387 1.097 1.00 0.00 H new ATOM 0 HE ARG A 71 11.754 6.063 0.992 1.00 0.00 H new ATOM 0 HH11 ARG A 71 15.274 6.410 0.785 1.00 0.00 H new ATOM 0 HH12 ARG A 71 15.180 7.792 -0.312 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.652 7.803 -0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.119 8.586 -0.974 1.00 0.00 H new ATOM 1222 N ASP A 72 12.738 0.698 6.065 1.00 0.00 N ATOM 1223 CA ASP A 72 13.331 -0.465 6.717 1.00 0.00 C ATOM 1224 C ASP A 72 12.940 -1.753 6.006 1.00 0.00 C ATOM 1225 O ASP A 72 13.767 -2.646 5.819 1.00 0.00 O ATOM 1226 CB ASP A 72 12.909 -0.527 8.187 1.00 0.00 C ATOM 1227 CG ASP A 72 13.569 0.518 9.076 1.00 0.00 C ATOM 1228 OD1 ASP A 72 14.512 1.133 8.636 1.00 0.00 O ATOM 1229 OD2 ASP A 72 13.035 0.804 10.121 1.00 0.00 O ATOM 0 H ASP A 72 12.073 1.212 6.643 1.00 0.00 H new ATOM 0 HA ASP A 72 14.415 -0.362 6.663 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.827 -0.407 8.247 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.142 -1.518 8.578 1.00 0.00 H new ATOM 1234 N GLU A 73 11.675 -1.845 5.610 1.00 0.00 N ATOM 1235 CA GLU A 73 11.193 -2.990 4.846 1.00 0.00 C ATOM 1236 C GLU A 73 11.666 -2.927 3.400 1.00 0.00 C ATOM 1237 O GLU A 73 11.921 -3.955 2.774 1.00 0.00 O ATOM 1238 CB GLU A 73 9.665 -3.061 4.896 1.00 0.00 C ATOM 1239 CG GLU A 73 9.098 -3.463 6.250 1.00 0.00 C ATOM 1240 CD GLU A 73 9.570 -4.830 6.657 1.00 0.00 C ATOM 1241 OE1 GLU A 73 9.445 -5.740 5.872 1.00 0.00 O ATOM 1242 OE2 GLU A 73 10.159 -4.946 7.706 1.00 0.00 O ATOM 0 H GLU A 73 10.964 -1.140 5.806 1.00 0.00 H new ATOM 0 HA GLU A 73 11.606 -3.891 5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.259 -2.088 4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.322 -3.774 4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.397 -2.734 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.009 -3.450 6.209 1.00 0.00 H new ATOM 1249 N LEU A 74 11.784 -1.711 2.874 1.00 0.00 N ATOM 1250 CA LEU A 74 12.346 -1.504 1.544 1.00 0.00 C ATOM 1251 C LEU A 74 13.736 -2.114 1.431 1.00 0.00 C ATOM 1252 O LEU A 74 14.053 -2.786 0.450 1.00 0.00 O ATOM 1253 CB LEU A 74 12.391 -0.006 1.217 1.00 0.00 C ATOM 1254 CG LEU A 74 12.637 0.332 -0.259 1.00 0.00 C ATOM 1255 CD1 LEU A 74 12.394 1.816 -0.502 1.00 0.00 C ATOM 1256 CD2 LEU A 74 14.059 -0.051 -0.639 1.00 0.00 C ATOM 0 H LEU A 74 11.498 -0.855 3.349 1.00 0.00 H new ATOM 0 HA LEU A 74 11.702 -2.006 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 74 11.448 0.445 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.176 0.457 1.815 1.00 0.00 H new ATOM 0 HG LEU A 74 11.944 -0.234 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.571 2.046 -1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.364 2.063 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 74 13.073 2.402 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.233 0.190 -1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.763 0.503 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.202 -1.120 -0.484 1.00 0.00 H new ATOM 1268 N ALA A 75 14.565 -1.875 2.443 1.00 0.00 N ATOM 1269 CA ALA A 75 15.897 -2.466 2.498 1.00 0.00 C ATOM 1270 C ALA A 75 15.826 -3.988 2.482 1.00 0.00 C ATOM 1271 O ALA A 75 16.607 -4.648 1.798 1.00 0.00 O ATOM 1272 CB ALA A 75 16.642 -1.981 3.733 1.00 0.00 C ATOM 0 H ALA A 75 14.337 -1.276 3.236 1.00 0.00 H new ATOM 0 HA ALA A 75 16.444 -2.147 1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 75 17.634 -2.431 3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 75 16.737 -0.896 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.089 -2.268 4.628 1.00 0.00 H new ATOM 1278 N ASP A 76 14.885 -4.540 3.242 1.00 0.00 N ATOM 1279 CA ASP A 76 14.703 -5.984 3.307 1.00 0.00 C ATOM 1280 C ASP A 76 14.303 -6.552 1.951 1.00 0.00 C ATOM 1281 O ASP A 76 14.696 -7.661 1.591 1.00 0.00 O ATOM 1282 CB ASP A 76 13.652 -6.345 4.359 1.00 0.00 C ATOM 1283 CG ASP A 76 14.116 -6.167 5.799 1.00 0.00 C ATOM 1284 OD1 ASP A 76 15.294 -6.001 6.006 1.00 0.00 O ATOM 1285 OD2 ASP A 76 13.279 -6.040 6.660 1.00 0.00 O ATOM 0 H ASP A 76 14.237 -4.007 3.822 1.00 0.00 H new ATOM 0 HA ASP A 76 15.657 -6.427 3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.767 -5.730 4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.351 -7.382 4.213 1.00 0.00 H new ATOM 1290 N LEU A 77 13.519 -5.783 1.202 1.00 0.00 N ATOM 1291 CA LEU A 77 13.120 -6.176 -0.143 1.00 0.00 C ATOM 1292 C LEU A 77 14.316 -6.206 -1.086 1.00 0.00 C ATOM 1293 O LEU A 77 14.430 -7.093 -1.933 1.00 0.00 O ATOM 1294 CB LEU A 77 12.044 -5.224 -0.678 1.00 0.00 C ATOM 1295 CG LEU A 77 10.672 -5.342 0.000 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.765 -4.208 -0.457 1.00 0.00 C ATOM 1297 CD2 LEU A 77 10.057 -6.694 -0.335 1.00 0.00 C ATOM 0 H LEU A 77 13.147 -4.883 1.505 1.00 0.00 H new ATOM 0 HA LEU A 77 12.707 -7.183 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.400 -4.200 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.921 -5.404 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 77 10.791 -5.268 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.794 -4.300 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.215 -3.252 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.636 -4.259 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.082 -6.780 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.938 -6.782 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.710 -7.490 0.024 1.00 0.00 H new ATOM 1309 N GLU A 78 15.208 -5.232 -0.934 1.00 0.00 N ATOM 1310 CA GLU A 78 16.430 -5.182 -1.727 1.00 0.00 C ATOM 1311 C GLU A 78 17.392 -6.291 -1.324 1.00 0.00 C ATOM 1312 O GLU A 78 18.172 -6.778 -2.144 1.00 0.00 O ATOM 1313 CB GLU A 78 17.109 -3.818 -1.580 1.00 0.00 C ATOM 1314 CG GLU A 78 16.380 -2.676 -2.274 1.00 0.00 C ATOM 1315 CD GLU A 78 17.098 -1.370 -2.076 1.00 0.00 C ATOM 1316 OE1 GLU A 78 18.059 -1.346 -1.346 1.00 0.00 O ATOM 1317 OE2 GLU A 78 16.755 -0.420 -2.740 1.00 0.00 O ATOM 0 H GLU A 78 15.107 -4.466 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 78 16.156 -5.330 -2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.201 -3.583 -0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 78 18.121 -3.884 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.296 -2.889 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.365 -2.599 -1.883 1.00 0.00 H new ATOM 1324 N HIS A 79 17.335 -6.687 -0.057 1.00 0.00 N ATOM 1325 CA HIS A 79 18.194 -7.749 0.455 1.00 0.00 C ATOM 1326 C HIS A 79 17.678 -9.121 0.040 1.00 0.00 C ATOM 1327 O HIS A 79 17.902 -9.538 -1.062 1.00 0.00 O ATOM 1328 CB HIS A 79 18.302 -7.668 1.980 1.00 0.00 C ATOM 1329 CG HIS A 79 18.960 -6.417 2.471 1.00 0.00 C ATOM 1330 ND1 HIS A 79 18.906 -6.017 3.791 1.00 0.00 N ATOM 1331 CD2 HIS A 79 19.683 -5.476 1.822 1.00 0.00 C ATOM 1332 CE1 HIS A 79 19.570 -4.883 3.930 1.00 0.00 C ATOM 1333 NE2 HIS A 79 20.051 -4.534 2.751 1.00 0.00 N ATOM 0 H HIS A 79 16.702 -6.288 0.636 1.00 0.00 H new ATOM 0 HA HIS A 79 19.185 -7.611 0.024 1.00 0.00 H new ATOM 0 HB2 HIS A 79 17.303 -7.735 2.410 1.00 0.00 H new ATOM 0 HB3 HIS A 79 18.863 -8.529 2.342 1.00 0.00 H new ATOM 0 HD2 HIS A 79 19.926 -5.467 0.770 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.698 -4.335 4.852 1.00 0.00 H new ATOM 0 HE2 HIS A 79 20.606 -3.700 2.561 1.00 0.00 H new TER 1341 HIS A 79