USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Set 1.1: A 24 LYS NZ :NH3+ 156:sc= 1.28 (180deg=0) USER MOD Set 1.2: A 27 ASN : amide:sc= -0.931 K(o=0.35,f=-9.9!) USER MOD Single : A 1 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.27) USER MOD Single : A 7 TYR OH : rot 139:sc= 0.273 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ALA N :NH3+ -176:sc= 0 (180deg=-0.0203) USER MOD Single : A 12 THR OG1 : rot -38:sc= 0.433 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0486 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -0.222 F(o=-1,f=-0.22) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.357 F(o=-2.4,f=-0.36) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 84:sc= 0.0212 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 82:sc= 0.183 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.28 F(o=-1.6!,f=0.28) USER MOD Single : A 53 MET CE :methyl -179:sc= -1.59 (180deg=-1.62) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 136:sc= 1.04 USER MOD Single : A 67 TYR OH : rot 24:sc= 0.665 USER MOD Single : A 68 LYS NZ :NH3+ 174:sc= 1.29 (180deg=1.05) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -147:sc= -1.11! (180deg=-3.21!) USER MOD Single : A 90 HEC O2A : rot 178:sc= -0.971 USER MOD Single : A 90 HEC O2D : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 3.145 0.370 -15.196 1.00 10.00 N ATOM 2 CA ALA A -3 4.568 0.095 -15.499 1.00 10.00 C ATOM 3 C ALA A -3 4.735 -1.381 -15.863 1.00 10.00 C ATOM 4 O ALA A -3 4.271 -1.762 -16.931 1.00 10.00 O ATOM 5 CB ALA A -3 5.498 0.556 -14.368 1.00 10.00 C ATOM 0 H1 ALA A -3 3.019 1.386 -15.015 1.00 10.00 H new ATOM 0 H2 ALA A -3 2.557 0.087 -16.006 1.00 10.00 H new ATOM 0 H3 ALA A -3 2.859 -0.170 -14.355 1.00 10.00 H new ATOM 0 HA ALA A -3 4.871 0.684 -16.364 1.00 10.00 H new ATOM 0 HB1 ALA A -3 6.532 0.334 -14.634 1.00 10.00 H new ATOM 0 HB2 ALA A -3 5.384 1.630 -14.218 1.00 10.00 H new ATOM 0 HB3 ALA A -3 5.239 0.032 -13.448 1.00 10.00 H new ATOM 13 N ASP A -2 5.272 -2.199 -14.957 1.00 10.00 N ATOM 14 CA ASP A -2 5.461 -3.622 -15.185 1.00 10.00 C ATOM 15 C ASP A -2 5.669 -4.319 -13.836 1.00 10.00 C ATOM 16 O ASP A -2 6.494 -3.883 -13.030 1.00 10.00 O ATOM 17 CB ASP A -2 6.662 -3.830 -16.117 1.00 10.00 C ATOM 18 CG ASP A -2 6.565 -5.167 -16.834 1.00 10.00 C ATOM 19 OD1 ASP A -2 6.123 -6.134 -16.173 1.00 10.00 O ATOM 20 OD2 ASP A -2 6.891 -5.183 -18.036 1.00 10.00 O ATOM 0 H ASP A -2 5.588 -1.885 -14.040 1.00 10.00 H new ATOM 0 HA ASP A -2 4.583 -4.055 -15.664 1.00 10.00 H new ATOM 0 HB2 ASP A -2 6.705 -3.023 -16.848 1.00 10.00 H new ATOM 0 HB3 ASP A -2 7.586 -3.788 -15.541 1.00 10.00 H new ATOM 25 N LEU A -1 4.870 -5.347 -13.544 1.00 10.00 N ATOM 26 CA LEU A -1 4.942 -6.071 -12.290 1.00 10.00 C ATOM 27 C LEU A -1 6.139 -7.032 -12.304 1.00 10.00 C ATOM 28 O LEU A -1 6.003 -8.249 -12.384 1.00 10.00 O ATOM 29 CB LEU A -1 3.579 -6.728 -12.056 1.00 10.00 C ATOM 30 CG LEU A -1 3.296 -7.262 -10.644 1.00 10.00 C ATOM 31 CD1 LEU A -1 3.306 -8.790 -10.603 1.00 10.00 C ATOM 32 CD2 LEU A -1 4.204 -6.738 -9.526 1.00 10.00 C ATOM 0 H LEU A -1 4.153 -5.697 -14.180 1.00 10.00 H new ATOM 0 HA LEU A -1 5.131 -5.416 -11.440 1.00 10.00 H new ATOM 0 HB2 LEU A -1 2.805 -6.001 -12.305 1.00 10.00 H new ATOM 0 HB3 LEU A -1 3.477 -7.556 -12.758 1.00 10.00 H new ATOM 0 HG LEU A -1 2.301 -6.868 -10.437 1.00 10.00 H new ATOM 0 HD11 LEU A -1 3.102 -9.128 -9.587 1.00 10.00 H new ATOM 0 HD12 LEU A -1 2.540 -9.177 -11.275 1.00 10.00 H new ATOM 0 HD13 LEU A -1 4.283 -9.156 -10.918 1.00 10.00 H new ATOM 0 HD21 LEU A -1 3.908 -7.185 -8.577 1.00 10.00 H new ATOM 0 HD22 LEU A -1 5.239 -7.002 -9.744 1.00 10.00 H new ATOM 0 HD23 LEU A -1 4.112 -5.654 -9.460 1.00 10.00 H new ATOM 44 N GLN A 1 7.337 -6.444 -12.271 1.00 10.00 N ATOM 45 CA GLN A 1 8.613 -7.132 -12.095 1.00 10.00 C ATOM 46 C GLN A 1 9.264 -6.821 -10.745 1.00 10.00 C ATOM 47 O GLN A 1 10.139 -7.567 -10.311 1.00 10.00 O ATOM 48 CB GLN A 1 9.578 -6.745 -13.233 1.00 10.00 C ATOM 49 CG GLN A 1 9.804 -7.870 -14.254 1.00 10.00 C ATOM 50 CD GLN A 1 8.805 -7.786 -15.396 1.00 10.00 C ATOM 51 OE1 GLN A 1 9.168 -7.399 -16.499 1.00 10.00 O ATOM 52 NE2 GLN A 1 7.546 -8.095 -15.139 1.00 10.00 N ATOM 0 H GLN A 1 7.446 -5.435 -12.370 1.00 10.00 H new ATOM 0 HA GLN A 1 8.408 -8.202 -12.122 1.00 10.00 H new ATOM 0 HB2 GLN A 1 9.185 -5.870 -13.750 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.537 -6.457 -12.803 1.00 10.00 H new ATOM 0 HG2 GLN A 1 10.818 -7.807 -14.649 1.00 10.00 H new ATOM 0 HG3 GLN A 1 9.714 -8.837 -13.759 1.00 10.00 H new ATOM 0 HE21 GLN A 1 7.279 -8.414 -14.208 1.00 10.00 H new ATOM 0 HE22 GLN A 1 6.841 -8.014 -15.872 1.00 10.00 H new ATOM 61 N ASP A 2 8.888 -5.702 -10.120 1.00 10.00 N ATOM 62 CA ASP A 2 9.476 -5.251 -8.879 1.00 10.00 C ATOM 63 C ASP A 2 8.415 -4.528 -8.045 1.00 10.00 C ATOM 64 O ASP A 2 7.816 -3.543 -8.481 1.00 10.00 O ATOM 65 CB ASP A 2 10.693 -4.365 -9.179 1.00 10.00 C ATOM 66 CG ASP A 2 11.541 -4.151 -7.936 1.00 10.00 C ATOM 67 OD1 ASP A 2 10.937 -4.062 -6.845 1.00 10.00 O ATOM 68 OD2 ASP A 2 12.775 -4.086 -8.103 1.00 10.00 O ATOM 0 H ASP A 2 8.158 -5.085 -10.474 1.00 10.00 H new ATOM 0 HA ASP A 2 9.829 -6.100 -8.293 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.298 -4.827 -9.959 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.358 -3.402 -9.563 1.00 10.00 H new ATOM 73 N ALA A 3 8.200 -5.018 -6.832 1.00 10.00 N ATOM 74 CA ALA A 3 7.438 -4.353 -5.795 1.00 10.00 C ATOM 75 C ALA A 3 7.783 -2.863 -5.640 1.00 10.00 C ATOM 76 O ALA A 3 6.880 -2.038 -5.491 1.00 10.00 O ATOM 77 CB ALA A 3 7.722 -5.117 -4.517 1.00 10.00 C ATOM 0 H ALA A 3 8.567 -5.923 -6.537 1.00 10.00 H new ATOM 0 HA ALA A 3 6.379 -4.360 -6.053 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.173 -4.663 -3.692 1.00 10.00 H new ATOM 0 HB2 ALA A 3 7.407 -6.154 -4.635 1.00 10.00 H new ATOM 0 HB3 ALA A 3 8.790 -5.085 -4.304 1.00 10.00 H new ATOM 83 N GLU A 4 9.072 -2.501 -5.720 1.00 10.00 N ATOM 84 CA GLU A 4 9.487 -1.101 -5.749 1.00 10.00 C ATOM 85 C GLU A 4 8.781 -0.354 -6.879 1.00 10.00 C ATOM 86 O GLU A 4 8.141 0.670 -6.656 1.00 10.00 O ATOM 87 CB GLU A 4 11.011 -0.966 -5.882 1.00 10.00 C ATOM 88 CG GLU A 4 11.403 0.523 -5.984 1.00 10.00 C ATOM 89 CD GLU A 4 12.895 0.774 -5.815 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.651 0.293 -6.683 1.00 10.00 O ATOM 91 OE2 GLU A 4 13.247 1.470 -4.838 1.00 10.00 O ATOM 0 H GLU A 4 9.844 -3.166 -5.766 1.00 10.00 H new ATOM 0 HA GLU A 4 9.197 -0.652 -4.799 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.501 -1.421 -5.021 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.356 -1.503 -6.766 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.086 0.908 -6.953 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.860 1.086 -5.225 1.00 10.00 H new ATOM 98 N ALA A 5 8.832 -0.906 -8.092 1.00 10.00 N ATOM 99 CA ALA A 5 8.238 -0.279 -9.265 1.00 10.00 C ATOM 100 C ALA A 5 6.713 -0.277 -9.161 1.00 10.00 C ATOM 101 O ALA A 5 6.066 0.673 -9.601 1.00 10.00 O ATOM 102 CB ALA A 5 8.706 -0.989 -10.533 1.00 10.00 C ATOM 0 H ALA A 5 9.286 -1.799 -8.285 1.00 10.00 H new ATOM 0 HA ALA A 5 8.567 0.759 -9.315 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.256 -0.512 -11.404 1.00 10.00 H new ATOM 0 HB2 ALA A 5 9.792 -0.926 -10.605 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.405 -2.036 -10.496 1.00 10.00 H new ATOM 108 N ILE A 6 6.135 -1.290 -8.508 1.00 10.00 N ATOM 109 CA ILE A 6 4.695 -1.330 -8.314 1.00 10.00 C ATOM 110 C ILE A 6 4.293 -0.172 -7.403 1.00 10.00 C ATOM 111 O ILE A 6 3.468 0.646 -7.801 1.00 10.00 O ATOM 112 CB ILE A 6 4.237 -2.712 -7.785 1.00 10.00 C ATOM 113 CG1 ILE A 6 3.230 -3.345 -8.751 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.635 -2.738 -6.370 1.00 10.00 C ATOM 115 CD1 ILE A 6 1.912 -2.585 -8.874 1.00 10.00 C ATOM 0 H ILE A 6 6.641 -2.082 -8.111 1.00 10.00 H new ATOM 0 HA ILE A 6 4.183 -1.204 -9.268 1.00 10.00 H new ATOM 0 HB ILE A 6 5.164 -3.281 -7.721 1.00 10.00 H new ATOM 0 HG12 ILE A 6 3.687 -3.417 -9.738 1.00 10.00 H new ATOM 0 HG13 ILE A 6 3.019 -4.363 -8.422 1.00 10.00 H new ATOM 0 HG21 ILE A 6 3.353 -3.759 -6.113 1.00 10.00 H new ATOM 0 HG22 ILE A 6 4.372 -2.374 -5.654 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.752 -2.099 -6.338 1.00 10.00 H new ATOM 0 HD11 ILE A 6 1.258 -3.102 -9.577 1.00 10.00 H new ATOM 0 HD12 ILE A 6 1.428 -2.535 -7.898 1.00 10.00 H new ATOM 0 HD13 ILE A 6 2.107 -1.575 -9.235 1.00 10.00 H new ATOM 127 N TYR A 7 4.925 -0.014 -6.234 1.00 10.00 N ATOM 128 CA TYR A 7 4.508 1.066 -5.346 1.00 10.00 C ATOM 129 C TYR A 7 4.884 2.435 -5.922 1.00 10.00 C ATOM 130 O TYR A 7 4.073 3.356 -5.927 1.00 10.00 O ATOM 131 CB TYR A 7 4.953 0.838 -3.890 1.00 10.00 C ATOM 132 CG TYR A 7 6.212 1.562 -3.480 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.177 2.943 -3.204 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.431 0.873 -3.450 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.377 3.657 -3.056 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.629 1.592 -3.317 1.00 10.00 C ATOM 137 CZ TYR A 7 8.603 2.981 -3.141 1.00 10.00 C ATOM 138 OH TYR A 7 9.768 3.673 -3.034 1.00 10.00 O ATOM 0 H TYR A 7 5.693 -0.594 -5.895 1.00 10.00 H new ATOM 0 HA TYR A 7 3.419 1.059 -5.295 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.144 1.146 -3.228 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.101 -0.231 -3.736 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.229 3.451 -3.106 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.449 -0.204 -3.529 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.356 4.722 -2.878 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.575 1.072 -3.351 1.00 10.00 H new ATOM 0 HH TYR A 7 10.404 3.161 -2.492 1.00 10.00 H new ATOM 148 N ASN A 8 6.088 2.545 -6.483 1.00 10.00 N ATOM 149 CA ASN A 8 6.660 3.762 -7.040 1.00 10.00 C ATOM 150 C ASN A 8 5.927 4.218 -8.310 1.00 10.00 C ATOM 151 O ASN A 8 6.001 5.387 -8.671 1.00 10.00 O ATOM 152 CB ASN A 8 8.152 3.510 -7.273 1.00 10.00 C ATOM 153 CG ASN A 8 8.947 4.751 -7.642 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.684 5.851 -7.179 1.00 10.00 O ATOM 155 ND2 ASN A 8 9.968 4.576 -8.469 1.00 10.00 N ATOM 0 H ASN A 8 6.718 1.747 -6.563 1.00 10.00 H new ATOM 0 HA ASN A 8 6.538 4.588 -6.340 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.580 3.074 -6.370 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.264 2.772 -8.067 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.553 5.369 -8.731 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.168 3.648 -8.843 1.00 10.00 H new ATOM 162 N LYS A 9 5.221 3.318 -9.006 1.00 10.00 N ATOM 163 CA LYS A 9 4.265 3.690 -10.050 1.00 10.00 C ATOM 164 C LYS A 9 2.816 3.853 -9.543 1.00 10.00 C ATOM 165 O LYS A 9 2.059 4.612 -10.143 1.00 10.00 O ATOM 166 CB LYS A 9 4.360 2.693 -11.208 1.00 10.00 C ATOM 167 CG LYS A 9 3.721 3.196 -12.515 1.00 10.00 C ATOM 168 CD LYS A 9 4.649 4.056 -13.398 1.00 10.00 C ATOM 169 CE LYS A 9 4.637 5.557 -13.069 1.00 10.00 C ATOM 170 NZ LYS A 9 5.274 6.350 -14.145 1.00 10.00 N ATOM 0 H LYS A 9 5.298 2.312 -8.859 1.00 10.00 H new ATOM 0 HA LYS A 9 4.542 4.683 -10.404 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.410 2.464 -11.392 1.00 10.00 H new ATOM 0 HB3 LYS A 9 3.877 1.761 -10.913 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.386 2.335 -13.094 1.00 10.00 H new ATOM 0 HG3 LYS A 9 2.834 3.779 -12.269 1.00 10.00 H new ATOM 0 HD2 LYS A 9 5.669 3.684 -13.300 1.00 10.00 H new ATOM 0 HD3 LYS A 9 4.361 3.924 -14.441 1.00 10.00 H new ATOM 0 HE2 LYS A 9 3.609 5.892 -12.927 1.00 10.00 H new ATOM 0 HE3 LYS A 9 5.161 5.729 -12.129 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 5.250 7.359 -13.893 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 6.262 6.046 -14.262 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 4.758 6.203 -15.036 1.00 10.00 H new ATOM 184 N ALA A 10 2.413 3.135 -8.488 1.00 10.00 N ATOM 185 CA ALA A 10 1.020 3.046 -8.032 1.00 10.00 C ATOM 186 C ALA A 10 0.759 3.845 -6.754 1.00 10.00 C ATOM 187 O ALA A 10 0.052 4.852 -6.781 1.00 10.00 O ATOM 188 CB ALA A 10 0.614 1.585 -7.835 1.00 10.00 C ATOM 0 H ALA A 10 3.058 2.589 -7.916 1.00 10.00 H new ATOM 0 HA ALA A 10 0.406 3.492 -8.815 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.421 1.537 -7.497 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.712 1.050 -8.779 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.261 1.125 -7.088 1.00 10.00 H new ATOM 194 N CYS A 11 1.340 3.430 -5.624 1.00 10.00 N ATOM 195 CA CYS A 11 1.179 4.068 -4.317 1.00 10.00 C ATOM 196 C CYS A 11 2.060 5.344 -4.255 1.00 10.00 C ATOM 197 O CYS A 11 2.743 5.629 -3.272 1.00 10.00 O ATOM 198 CB CYS A 11 1.500 3.082 -3.202 1.00 10.00 C ATOM 199 SG CYS A 11 1.521 1.311 -3.624 1.00 10.00 S ATOM 0 H CYS A 11 1.954 2.616 -5.594 1.00 10.00 H new ATOM 0 HA CYS A 11 0.142 4.373 -4.176 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.477 3.342 -2.794 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.772 3.229 -2.404 1.00 10.00 H new ATOM 204 N THR A 12 2.053 6.123 -5.338 1.00 10.00 N ATOM 205 CA THR A 12 3.019 7.181 -5.624 1.00 10.00 C ATOM 206 C THR A 12 2.375 8.525 -5.924 1.00 10.00 C ATOM 207 O THR A 12 3.068 9.525 -6.108 1.00 10.00 O ATOM 208 CB THR A 12 3.913 6.748 -6.788 1.00 10.00 C ATOM 209 OG1 THR A 12 5.030 7.594 -6.840 1.00 10.00 O ATOM 210 CG2 THR A 12 3.176 6.833 -8.129 1.00 10.00 C ATOM 0 H THR A 12 1.346 6.029 -6.067 1.00 10.00 H new ATOM 0 HA THR A 12 3.612 7.327 -4.721 1.00 10.00 H new ATOM 0 HB THR A 12 4.208 5.712 -6.621 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.758 8.509 -6.619 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.843 6.518 -8.931 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.303 6.181 -8.106 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.857 7.861 -8.305 1.00 10.00 H new ATOM 218 N VAL A 13 1.049 8.533 -5.988 1.00 10.00 N ATOM 219 CA VAL A 13 0.240 9.692 -6.302 1.00 10.00 C ATOM 220 C VAL A 13 -0.280 10.279 -4.987 1.00 10.00 C ATOM 221 O VAL A 13 -0.128 11.460 -4.689 1.00 10.00 O ATOM 222 CB VAL A 13 -0.899 9.212 -7.216 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.705 10.424 -7.659 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.369 8.475 -8.456 1.00 10.00 C ATOM 0 H VAL A 13 0.491 7.697 -5.815 1.00 10.00 H new ATOM 0 HA VAL A 13 0.799 10.473 -6.817 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.518 8.511 -6.656 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.519 10.102 -8.309 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.117 10.927 -6.784 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -1.058 11.113 -8.202 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.207 8.153 -9.074 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.270 9.144 -9.032 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.206 7.604 -8.143 1.00 10.00 H new ATOM 234 N CYS A 14 -0.877 9.394 -4.194 1.00 10.00 N ATOM 235 CA CYS A 14 -1.566 9.679 -2.953 1.00 10.00 C ATOM 236 C CYS A 14 -0.596 9.552 -1.778 1.00 10.00 C ATOM 237 O CYS A 14 -0.344 10.523 -1.064 1.00 10.00 O ATOM 238 CB CYS A 14 -2.712 8.705 -2.893 1.00 10.00 C ATOM 239 SG CYS A 14 -3.762 9.011 -4.333 1.00 10.00 S ATOM 0 H CYS A 14 -0.890 8.400 -4.421 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.950 10.698 -2.899 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.344 7.679 -2.898 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.278 8.836 -1.971 1.00 10.00 H new ATOM 244 N HIS A 15 -0.009 8.363 -1.619 1.00 10.00 N ATOM 245 CA HIS A 15 0.806 8.006 -0.465 1.00 10.00 C ATOM 246 C HIS A 15 2.197 8.663 -0.453 1.00 10.00 C ATOM 247 O HIS A 15 2.856 8.697 0.583 1.00 10.00 O ATOM 248 CB HIS A 15 0.944 6.480 -0.411 1.00 10.00 C ATOM 249 CG HIS A 15 -0.287 5.740 0.035 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.390 5.048 1.212 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.365 5.407 -0.739 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.517 4.320 1.159 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.156 4.504 -0.013 1.00 10.00 N ATOM 0 H HIS A 15 -0.091 7.611 -2.303 1.00 10.00 H new ATOM 0 HA HIS A 15 0.293 8.387 0.418 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.225 6.122 -1.401 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.763 6.229 0.263 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.270 5.080 1.989 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.571 5.775 -1.733 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.865 3.673 1.951 1.00 10.00 H new ATOM 261 N SER A 16 2.656 9.181 -1.596 1.00 10.00 N ATOM 262 CA SER A 16 3.977 9.802 -1.696 1.00 10.00 C ATOM 263 C SER A 16 4.059 11.074 -0.843 1.00 10.00 C ATOM 264 O SER A 16 4.974 11.244 -0.040 1.00 10.00 O ATOM 265 CB SER A 16 4.302 10.087 -3.165 1.00 10.00 C ATOM 266 OG SER A 16 5.688 10.309 -3.323 1.00 10.00 O ATOM 0 H SER A 16 2.128 9.182 -2.469 1.00 10.00 H new ATOM 0 HA SER A 16 4.723 9.110 -1.304 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.988 9.247 -3.784 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.745 10.960 -3.506 1.00 10.00 H new ATOM 0 HG SER A 16 5.885 10.489 -4.266 1.00 10.00 H new ATOM 272 N MET A 17 3.068 11.958 -1.011 1.00 10.00 N ATOM 273 CA MET A 17 2.966 13.227 -0.293 1.00 10.00 C ATOM 274 C MET A 17 1.856 13.205 0.777 1.00 10.00 C ATOM 275 O MET A 17 1.924 13.945 1.756 1.00 10.00 O ATOM 276 CB MET A 17 2.742 14.344 -1.326 1.00 10.00 C ATOM 277 CG MET A 17 3.457 15.643 -0.935 1.00 10.00 C ATOM 278 SD MET A 17 5.254 15.636 -1.182 1.00 10.00 S ATOM 279 CE MET A 17 5.650 17.326 -0.700 1.00 10.00 C ATOM 0 H MET A 17 2.300 11.804 -1.665 1.00 10.00 H new ATOM 0 HA MET A 17 3.892 13.409 0.253 1.00 10.00 H new ATOM 0 HB2 MET A 17 3.100 14.013 -2.301 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.674 14.535 -1.427 1.00 10.00 H new ATOM 0 HG2 MET A 17 3.030 16.463 -1.512 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.251 15.851 0.115 1.00 10.00 H new ATOM 0 HE1 MET A 17 6.724 17.489 -0.794 1.00 10.00 H new ATOM 0 HE2 MET A 17 5.119 18.023 -1.348 1.00 10.00 H new ATOM 0 HE3 MET A 17 5.348 17.490 0.334 1.00 10.00 H new ATOM 289 N GLY A 18 0.829 12.365 0.591 1.00 10.00 N ATOM 290 CA GLY A 18 -0.359 12.287 1.437 1.00 10.00 C ATOM 291 C GLY A 18 -1.520 13.118 0.872 1.00 10.00 C ATOM 292 O GLY A 18 -2.068 13.985 1.547 1.00 10.00 O ATOM 0 H GLY A 18 0.806 11.699 -0.182 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.670 11.246 1.531 1.00 10.00 H new ATOM 0 HA3 GLY A 18 -0.115 12.639 2.439 1.00 10.00 H new ATOM 296 N VAL A 19 -1.894 12.850 -0.384 1.00 10.00 N ATOM 297 CA VAL A 19 -2.972 13.526 -1.108 1.00 10.00 C ATOM 298 C VAL A 19 -4.267 12.709 -0.989 1.00 10.00 C ATOM 299 O VAL A 19 -4.242 11.519 -0.684 1.00 10.00 O ATOM 300 CB VAL A 19 -2.548 13.776 -2.571 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.655 14.419 -3.418 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.319 14.691 -2.615 1.00 10.00 C ATOM 0 H VAL A 19 -1.437 12.130 -0.943 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.169 14.503 -0.667 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.325 12.796 -2.993 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.294 14.569 -4.436 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.527 13.765 -3.435 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.931 15.381 -2.986 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.029 14.861 -3.652 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.558 15.645 -2.145 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.495 14.219 -2.080 1.00 10.00 H new ATOM 312 N ALA A 20 -5.417 13.368 -1.151 1.00 10.00 N ATOM 313 CA ALA A 20 -6.744 12.770 -0.965 1.00 10.00 C ATOM 314 C ALA A 20 -6.936 12.169 0.439 1.00 10.00 C ATOM 315 O ALA A 20 -7.717 11.239 0.629 1.00 10.00 O ATOM 316 CB ALA A 20 -7.006 11.740 -2.068 1.00 10.00 C ATOM 0 H ALA A 20 -5.454 14.351 -1.420 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.484 13.567 -1.044 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.992 11.298 -1.926 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.964 12.230 -3.041 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.248 10.958 -2.023 1.00 10.00 H new ATOM 322 N GLY A 21 -6.196 12.693 1.419 1.00 10.00 N ATOM 323 CA GLY A 21 -6.183 12.194 2.792 1.00 10.00 C ATOM 324 C GLY A 21 -5.328 10.935 2.977 1.00 10.00 C ATOM 325 O GLY A 21 -5.336 10.347 4.054 1.00 10.00 O ATOM 0 H GLY A 21 -5.578 13.491 1.275 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.809 12.977 3.451 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -7.206 11.978 3.101 1.00 10.00 H new ATOM 329 N ALA A 22 -4.577 10.510 1.955 1.00 10.00 N ATOM 330 CA ALA A 22 -3.748 9.316 2.044 1.00 10.00 C ATOM 331 C ALA A 22 -2.644 9.444 3.125 1.00 10.00 C ATOM 332 O ALA A 22 -2.123 10.535 3.366 1.00 10.00 O ATOM 333 CB ALA A 22 -3.191 8.994 0.649 1.00 10.00 C ATOM 0 H ALA A 22 -4.531 10.983 1.053 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.360 8.477 2.373 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.568 8.101 0.703 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -4.017 8.819 -0.041 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.593 9.833 0.294 1.00 10.00 H new ATOM 339 N PRO A 23 -2.282 8.329 3.781 1.00 10.00 N ATOM 340 CA PRO A 23 -1.160 8.230 4.721 1.00 10.00 C ATOM 341 C PRO A 23 0.173 8.410 3.980 1.00 10.00 C ATOM 342 O PRO A 23 0.198 8.463 2.756 1.00 10.00 O ATOM 343 CB PRO A 23 -1.306 6.834 5.311 1.00 10.00 C ATOM 344 CG PRO A 23 -1.992 6.014 4.231 1.00 10.00 C ATOM 345 CD PRO A 23 -2.870 7.025 3.521 1.00 10.00 C ATOM 0 HA PRO A 23 -1.168 8.999 5.494 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.335 6.412 5.568 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -1.898 6.853 6.226 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.270 5.562 3.551 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.580 5.201 4.657 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.909 6.822 2.451 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.894 6.979 3.892 1.00 10.00 H new ATOM 353 N LYS A 24 1.288 8.506 4.709 1.00 10.00 N ATOM 354 CA LYS A 24 2.617 8.755 4.138 1.00 10.00 C ATOM 355 C LYS A 24 3.616 7.669 4.546 1.00 10.00 C ATOM 356 O LYS A 24 3.701 7.291 5.714 1.00 10.00 O ATOM 357 CB LYS A 24 3.132 10.124 4.590 1.00 10.00 C ATOM 358 CG LYS A 24 2.360 11.298 3.971 1.00 10.00 C ATOM 359 CD LYS A 24 2.100 12.370 5.037 1.00 10.00 C ATOM 360 CE LYS A 24 0.975 11.911 5.981 1.00 10.00 C ATOM 361 NZ LYS A 24 1.318 12.130 7.402 1.00 10.00 N ATOM 0 H LYS A 24 1.295 8.412 5.725 1.00 10.00 H new ATOM 0 HA LYS A 24 2.522 8.738 3.052 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.067 10.188 5.676 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.186 10.213 4.327 1.00 10.00 H new ATOM 0 HG2 LYS A 24 2.929 11.724 3.145 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.415 10.946 3.558 1.00 10.00 H new ATOM 0 HD2 LYS A 24 3.010 12.557 5.607 1.00 10.00 H new ATOM 0 HD3 LYS A 24 1.824 13.310 4.559 1.00 10.00 H new ATOM 0 HE2 LYS A 24 0.059 12.451 5.742 1.00 10.00 H new ATOM 0 HE3 LYS A 24 0.773 10.853 5.816 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 0.445 12.203 7.963 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 1.887 11.331 7.749 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 1.864 13.010 7.496 1.00 10.00 H new ATOM 375 N SER A 25 4.418 7.171 3.608 1.00 10.00 N ATOM 376 CA SER A 25 5.427 6.144 3.850 1.00 10.00 C ATOM 377 C SER A 25 6.712 6.697 4.494 1.00 10.00 C ATOM 378 O SER A 25 7.811 6.458 4.000 1.00 10.00 O ATOM 379 CB SER A 25 5.702 5.475 2.503 1.00 10.00 C ATOM 380 OG SER A 25 5.932 6.471 1.521 1.00 10.00 O ATOM 0 H SER A 25 4.383 7.478 2.636 1.00 10.00 H new ATOM 0 HA SER A 25 5.054 5.422 4.576 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.569 4.818 2.581 1.00 10.00 H new ATOM 0 HB3 SER A 25 4.855 4.852 2.214 1.00 10.00 H new ATOM 0 HG SER A 25 6.110 6.044 0.657 1.00 10.00 H new ATOM 386 N HIS A 26 6.585 7.424 5.614 1.00 10.00 N ATOM 387 CA HIS A 26 7.750 7.979 6.324 1.00 10.00 C ATOM 388 C HIS A 26 7.602 8.051 7.853 1.00 10.00 C ATOM 389 O HIS A 26 8.528 7.740 8.596 1.00 10.00 O ATOM 390 CB HIS A 26 8.158 9.331 5.706 1.00 10.00 C ATOM 391 CG HIS A 26 7.569 10.551 6.376 1.00 10.00 C ATOM 392 ND1 HIS A 26 6.241 10.861 6.484 1.00 10.00 N flip ATOM 393 CD2 HIS A 26 8.264 11.447 7.156 1.00 10.00 C flip ATOM 394 CE1 HIS A 26 6.120 11.954 7.346 1.00 10.00 C flip ATOM 395 NE2 HIS A 26 7.370 12.278 7.717 1.00 10.00 N flip ATOM 0 H HIS A 26 5.688 7.642 6.048 1.00 10.00 H new ATOM 0 HA HIS A 26 8.561 7.266 6.179 1.00 10.00 H new ATOM 0 HB2 HIS A 26 9.245 9.411 5.733 1.00 10.00 H new ATOM 0 HB3 HIS A 26 7.864 9.336 4.656 1.00 10.00 H new ATOM 0 HD2 HIS A 26 9.335 11.477 7.292 1.00 10.00 H new ATOM 0 HE1 HIS A 26 5.206 12.440 7.652 1.00 10.00 H new ATOM 0 HE2 HIS A 26 7.608 13.050 8.340 1.00 10.00 H new ATOM 403 N ASN A 27 6.435 8.487 8.323 1.00 10.00 N ATOM 404 CA ASN A 27 6.093 8.598 9.736 1.00 10.00 C ATOM 405 C ASN A 27 5.708 7.217 10.261 1.00 10.00 C ATOM 406 O ASN A 27 5.045 6.479 9.541 1.00 10.00 O ATOM 407 CB ASN A 27 4.928 9.595 9.939 1.00 10.00 C ATOM 408 CG ASN A 27 3.839 9.603 8.859 1.00 10.00 C ATOM 409 OD1 ASN A 27 3.220 10.626 8.580 1.00 10.00 O ATOM 410 ND2 ASN A 27 3.560 8.469 8.240 1.00 10.00 N ATOM 0 H ASN A 27 5.677 8.782 7.708 1.00 10.00 H new ATOM 0 HA ASN A 27 6.954 8.974 10.288 1.00 10.00 H new ATOM 0 HB2 ASN A 27 4.456 9.378 10.898 1.00 10.00 H new ATOM 0 HB3 ASN A 27 5.346 10.599 10.009 1.00 10.00 H new ATOM 0 HD21 ASN A 27 2.829 8.443 7.529 1.00 10.00 H new ATOM 0 HD22 ASN A 27 4.076 7.620 8.473 1.00 10.00 H new ATOM 417 N THR A 28 6.006 6.892 11.519 1.00 10.00 N ATOM 418 CA THR A 28 5.672 5.562 12.036 1.00 10.00 C ATOM 419 C THR A 28 4.320 5.598 12.748 1.00 10.00 C ATOM 420 O THR A 28 3.577 4.629 12.673 1.00 10.00 O ATOM 421 CB THR A 28 6.774 5.040 12.969 1.00 10.00 C ATOM 422 OG1 THR A 28 8.011 5.089 12.294 1.00 10.00 O ATOM 423 CG2 THR A 28 6.527 3.579 13.358 1.00 10.00 C ATOM 0 H THR A 28 6.466 7.512 12.185 1.00 10.00 H new ATOM 0 HA THR A 28 5.601 4.872 11.195 1.00 10.00 H new ATOM 0 HB THR A 28 6.776 5.662 13.864 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.719 4.759 12.885 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.324 3.239 14.019 1.00 10.00 H new ATOM 0 HG22 THR A 28 5.569 3.496 13.872 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.511 2.961 12.460 1.00 10.00 H new ATOM 431 N ALA A 29 3.921 6.733 13.329 1.00 10.00 N ATOM 432 CA ALA A 29 2.623 6.877 13.995 1.00 10.00 C ATOM 433 C ALA A 29 1.422 6.619 13.070 1.00 10.00 C ATOM 434 O ALA A 29 0.374 6.163 13.514 1.00 10.00 O ATOM 435 CB ALA A 29 2.527 8.278 14.587 1.00 10.00 C ATOM 0 H ALA A 29 4.490 7.579 13.351 1.00 10.00 H new ATOM 0 HA ALA A 29 2.575 6.115 14.773 1.00 10.00 H new ATOM 0 HB1 ALA A 29 1.565 8.397 15.085 1.00 10.00 H new ATOM 0 HB2 ALA A 29 3.330 8.424 15.309 1.00 10.00 H new ATOM 0 HB3 ALA A 29 2.617 9.017 13.790 1.00 10.00 H new ATOM 441 N ASP A 30 1.580 6.904 11.775 1.00 10.00 N ATOM 442 CA ASP A 30 0.596 6.615 10.743 1.00 10.00 C ATOM 443 C ASP A 30 0.544 5.089 10.501 1.00 10.00 C ATOM 444 O ASP A 30 -0.499 4.532 10.168 1.00 10.00 O ATOM 445 CB ASP A 30 1.067 7.430 9.526 1.00 10.00 C ATOM 446 CG ASP A 30 0.189 7.536 8.310 1.00 10.00 C ATOM 447 OD1 ASP A 30 -0.911 6.954 8.321 1.00 10.00 O ATOM 448 OD2 ASP A 30 0.714 8.116 7.332 1.00 10.00 O ATOM 0 H ASP A 30 2.420 7.354 11.411 1.00 10.00 H new ATOM 0 HA ASP A 30 -0.426 6.894 11.000 1.00 10.00 H new ATOM 0 HB2 ASP A 30 1.266 8.444 9.872 1.00 10.00 H new ATOM 0 HB3 ASP A 30 2.020 7.010 9.203 1.00 10.00 H new ATOM 453 N TRP A 31 1.684 4.399 10.623 1.00 10.00 N ATOM 454 CA TRP A 31 1.839 2.969 10.336 1.00 10.00 C ATOM 455 C TRP A 31 1.573 2.062 11.572 1.00 10.00 C ATOM 456 O TRP A 31 1.029 0.966 11.419 1.00 10.00 O ATOM 457 CB TRP A 31 3.193 2.752 9.622 1.00 10.00 C ATOM 458 CG TRP A 31 3.245 3.214 8.183 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.304 4.512 7.822 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.253 2.479 6.907 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.236 4.657 6.468 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.200 3.440 5.845 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.289 1.118 6.514 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.123 3.091 4.497 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.207 0.754 5.150 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.077 1.736 4.156 1.00 10.00 C ATOM 0 H TRP A 31 2.552 4.835 10.934 1.00 10.00 H new ATOM 0 HA TRP A 31 1.059 2.641 9.649 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.969 3.274 10.182 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.436 1.690 9.655 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.394 5.333 8.518 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.215 5.554 5.984 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.380 0.348 7.266 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.099 3.853 3.732 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.245 -0.289 4.871 1.00 10.00 H new ATOM 0 HH2 TRP A 31 2.941 1.444 3.125 1.00 10.00 H new ATOM 477 N GLU A 32 1.857 2.516 12.804 1.00 10.00 N ATOM 478 CA GLU A 32 1.544 1.789 14.043 1.00 10.00 C ATOM 479 C GLU A 32 0.112 1.224 14.111 1.00 10.00 C ATOM 480 O GLU A 32 -0.049 0.013 14.273 1.00 10.00 O ATOM 481 CB GLU A 32 1.835 2.649 15.286 1.00 10.00 C ATOM 482 CG GLU A 32 3.229 2.380 15.868 1.00 10.00 C ATOM 483 CD GLU A 32 3.361 2.920 17.284 1.00 10.00 C ATOM 484 OE1 GLU A 32 3.665 4.127 17.399 1.00 10.00 O ATOM 485 OE2 GLU A 32 3.144 2.115 18.215 1.00 10.00 O ATOM 0 H GLU A 32 2.317 3.411 12.968 1.00 10.00 H new ATOM 0 HA GLU A 32 2.208 0.925 14.032 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.751 3.703 15.023 1.00 10.00 H new ATOM 0 HB3 GLU A 32 1.081 2.449 16.048 1.00 10.00 H new ATOM 0 HG2 GLU A 32 3.423 1.307 15.868 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.984 2.840 15.231 1.00 10.00 H new ATOM 492 N PRO A 33 -0.945 2.046 13.967 1.00 10.00 N ATOM 493 CA PRO A 33 -2.323 1.576 14.054 1.00 10.00 C ATOM 494 C PRO A 33 -2.722 0.648 12.897 1.00 10.00 C ATOM 495 O PRO A 33 -3.858 0.178 12.857 1.00 10.00 O ATOM 496 CB PRO A 33 -3.179 2.848 14.100 1.00 10.00 C ATOM 497 CG PRO A 33 -2.338 3.861 13.329 1.00 10.00 C ATOM 498 CD PRO A 33 -0.917 3.483 13.737 1.00 10.00 C ATOM 0 HA PRO A 33 -2.467 0.957 14.940 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.153 2.695 13.634 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.363 3.173 15.124 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.488 3.778 12.252 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -2.581 4.887 13.607 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.203 3.741 12.955 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -0.612 4.018 14.636 1.00 10.00 H new ATOM 506 N ARG A 34 -1.814 0.365 11.954 1.00 10.00 N ATOM 507 CA ARG A 34 -2.008 -0.651 10.931 1.00 10.00 C ATOM 508 C ARG A 34 -1.400 -1.980 11.404 1.00 10.00 C ATOM 509 O ARG A 34 -2.097 -2.995 11.463 1.00 10.00 O ATOM 510 CB ARG A 34 -1.420 -0.154 9.613 1.00 10.00 C ATOM 511 CG ARG A 34 -1.895 1.249 9.216 1.00 10.00 C ATOM 512 CD ARG A 34 -3.376 1.561 9.448 1.00 10.00 C ATOM 513 NE ARG A 34 -4.233 0.611 8.725 1.00 10.00 N ATOM 514 CZ ARG A 34 -5.514 0.332 8.991 1.00 10.00 C ATOM 515 NH1 ARG A 34 -6.136 0.884 10.024 1.00 10.00 N ATOM 516 NH2 ARG A 34 -6.184 -0.508 8.211 1.00 10.00 N ATOM 0 H ARG A 34 -0.916 0.845 11.886 1.00 10.00 H new ATOM 0 HA ARG A 34 -3.069 -0.835 10.760 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.333 -0.152 9.688 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.683 -0.855 8.821 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -1.302 1.979 9.768 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.677 1.396 8.158 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.598 1.518 10.514 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -3.594 2.577 9.118 1.00 10.00 H new ATOM 0 HE ARG A 34 -3.808 0.114 7.942 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -5.637 1.534 10.632 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -7.113 0.659 10.211 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -5.722 -0.939 7.411 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -7.161 -0.722 8.412 1.00 10.00 H new ATOM 530 N LEU A 35 -0.150 -1.952 11.885 1.00 10.00 N ATOM 531 CA LEU A 35 0.518 -3.078 12.560 1.00 10.00 C ATOM 532 C LEU A 35 -0.099 -3.467 13.920 1.00 10.00 C ATOM 533 O LEU A 35 0.548 -4.122 14.734 1.00 10.00 O ATOM 534 CB LEU A 35 2.012 -2.731 12.716 1.00 10.00 C ATOM 535 CG LEU A 35 2.806 -3.145 11.471 1.00 10.00 C ATOM 536 CD1 LEU A 35 3.732 -2.003 11.039 1.00 10.00 C ATOM 537 CD2 LEU A 35 3.591 -4.432 11.756 1.00 10.00 C ATOM 0 H LEU A 35 0.442 -1.125 11.815 1.00 10.00 H new ATOM 0 HA LEU A 35 0.380 -3.959 11.934 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.124 -1.660 12.884 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.416 -3.235 13.594 1.00 10.00 H new ATOM 0 HG LEU A 35 2.119 -3.347 10.649 1.00 10.00 H new ATOM 0 HD11 LEU A 35 4.293 -2.304 10.154 1.00 10.00 H new ATOM 0 HD12 LEU A 35 3.137 -1.120 10.808 1.00 10.00 H new ATOM 0 HD13 LEU A 35 4.426 -1.772 11.847 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.153 -4.720 10.867 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.281 -4.262 12.582 1.00 10.00 H new ATOM 0 HD23 LEU A 35 2.898 -5.230 12.021 1.00 10.00 H new ATOM 549 N ALA A 36 -1.370 -3.132 14.157 1.00 10.00 N ATOM 550 CA ALA A 36 -2.105 -3.493 15.361 1.00 10.00 C ATOM 551 C ALA A 36 -2.884 -4.790 15.121 1.00 10.00 C ATOM 552 O ALA A 36 -2.986 -5.640 15.999 1.00 10.00 O ATOM 553 CB ALA A 36 -3.031 -2.333 15.732 1.00 10.00 C ATOM 0 H ALA A 36 -1.926 -2.588 13.497 1.00 10.00 H new ATOM 0 HA ALA A 36 -1.422 -3.672 16.192 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -3.590 -2.587 16.633 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -2.437 -1.437 15.914 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -3.727 -2.147 14.914 1.00 10.00 H new ATOM 559 N LYS A 37 -3.425 -4.937 13.906 1.00 10.00 N ATOM 560 CA LYS A 37 -4.112 -6.144 13.461 1.00 10.00 C ATOM 561 C LYS A 37 -3.118 -7.172 12.897 1.00 10.00 C ATOM 562 O LYS A 37 -3.227 -8.361 13.181 1.00 10.00 O ATOM 563 CB LYS A 37 -5.175 -5.756 12.421 1.00 10.00 C ATOM 564 CG LYS A 37 -6.348 -4.998 13.063 1.00 10.00 C ATOM 565 CD LYS A 37 -7.392 -5.957 13.660 1.00 10.00 C ATOM 566 CE LYS A 37 -8.382 -6.428 12.584 1.00 10.00 C ATOM 567 NZ LYS A 37 -9.309 -7.453 13.111 1.00 10.00 N ATOM 0 H LYS A 37 -3.394 -4.205 13.196 1.00 10.00 H new ATOM 0 HA LYS A 37 -4.603 -6.618 14.311 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -4.720 -5.136 11.649 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -5.548 -6.654 11.929 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -5.970 -4.340 13.845 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -6.823 -4.364 12.315 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -6.890 -6.819 14.101 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -7.933 -5.458 14.464 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -8.952 -5.576 12.215 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -7.832 -6.835 11.735 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -9.963 -7.749 12.359 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -8.765 -8.276 13.440 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -9.851 -7.056 13.905 1.00 10.00 H new ATOM 581 N GLY A 38 -2.190 -6.724 12.046 1.00 10.00 N ATOM 582 CA GLY A 38 -1.204 -7.570 11.370 1.00 10.00 C ATOM 583 C GLY A 38 -0.777 -6.934 10.041 1.00 10.00 C ATOM 584 O GLY A 38 -0.704 -5.710 9.954 1.00 10.00 O ATOM 0 H GLY A 38 -2.102 -5.737 11.803 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -0.333 -7.708 12.011 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -1.626 -8.558 11.189 1.00 10.00 H new ATOM 588 N VAL A 39 -0.536 -7.750 9.007 1.00 10.00 N ATOM 589 CA VAL A 39 -0.004 -7.306 7.711 1.00 10.00 C ATOM 590 C VAL A 39 -0.941 -7.718 6.563 1.00 10.00 C ATOM 591 O VAL A 39 -1.439 -6.889 5.798 1.00 10.00 O ATOM 592 CB VAL A 39 1.420 -7.871 7.534 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.108 -7.223 6.327 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.286 -7.628 8.781 1.00 10.00 C ATOM 0 H VAL A 39 -0.708 -8.755 9.048 1.00 10.00 H new ATOM 0 HA VAL A 39 0.052 -6.218 7.687 1.00 10.00 H new ATOM 0 HB VAL A 39 1.319 -8.945 7.377 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.112 -7.633 6.217 1.00 10.00 H new ATOM 0 HG12 VAL A 39 1.531 -7.429 5.425 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.171 -6.146 6.479 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.282 -8.040 8.618 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.363 -6.557 8.968 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.828 -8.115 9.642 1.00 10.00 H new ATOM 604 N ASP A 40 -1.252 -9.011 6.485 1.00 10.00 N ATOM 605 CA ASP A 40 -2.092 -9.618 5.460 1.00 10.00 C ATOM 606 C ASP A 40 -3.517 -9.021 5.408 1.00 10.00 C ATOM 607 O ASP A 40 -4.235 -9.201 4.427 1.00 10.00 O ATOM 608 CB ASP A 40 -2.094 -11.140 5.692 1.00 10.00 C ATOM 609 CG ASP A 40 -0.719 -11.693 6.049 1.00 10.00 C ATOM 610 OD1 ASP A 40 -0.265 -11.352 7.166 1.00 10.00 O ATOM 611 OD2 ASP A 40 -0.142 -12.405 5.201 1.00 10.00 O ATOM 0 H ASP A 40 -0.910 -9.691 7.164 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.676 -9.395 4.477 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.794 -11.378 6.493 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.457 -11.638 4.793 1.00 10.00 H new ATOM 616 N ASN A 41 -3.918 -8.261 6.437 1.00 10.00 N ATOM 617 CA ASN A 41 -5.189 -7.545 6.535 1.00 10.00 C ATOM 618 C ASN A 41 -5.267 -6.318 5.630 1.00 10.00 C ATOM 619 O ASN A 41 -6.346 -5.758 5.455 1.00 10.00 O ATOM 620 CB ASN A 41 -5.411 -7.033 7.970 1.00 10.00 C ATOM 621 CG ASN A 41 -4.835 -7.910 9.062 1.00 10.00 C ATOM 622 OD1 ASN A 41 -3.894 -7.359 9.811 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -5.238 -9.048 9.258 1.00 10.00 N flip ATOM 0 H ASN A 41 -3.333 -8.125 7.262 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.944 -8.269 6.230 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.974 -6.038 8.056 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.482 -6.926 8.139 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -5.965 -9.441 8.661 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -4.847 -9.604 10.019 1.00 10.00 H new ATOM 630 N LEU A 42 -4.125 -5.849 5.130 1.00 10.00 N ATOM 631 CA LEU A 42 -4.028 -4.589 4.411 1.00 10.00 C ATOM 632 C LEU A 42 -3.906 -4.842 2.906 1.00 10.00 C ATOM 633 O LEU A 42 -4.640 -4.247 2.113 1.00 10.00 O ATOM 634 CB LEU A 42 -2.860 -3.817 5.022 1.00 10.00 C ATOM 635 CG LEU A 42 -3.179 -3.473 6.495 1.00 10.00 C ATOM 636 CD1 LEU A 42 -2.253 -4.199 7.477 1.00 10.00 C ATOM 637 CD2 LEU A 42 -3.107 -1.969 6.740 1.00 10.00 C ATOM 0 H LEU A 42 -3.235 -6.341 5.216 1.00 10.00 H new ATOM 0 HA LEU A 42 -4.927 -3.981 4.513 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -1.949 -4.412 4.966 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -2.679 -2.903 4.456 1.00 10.00 H new ATOM 0 HG LEU A 42 -4.198 -3.817 6.675 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -2.518 -3.924 8.498 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -2.362 -5.276 7.352 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -1.219 -3.914 7.281 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -3.336 -1.759 7.785 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -2.104 -1.610 6.510 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -3.829 -1.461 6.101 1.00 10.00 H new ATOM 649 N VAL A 43 -3.069 -5.811 2.516 1.00 10.00 N ATOM 650 CA VAL A 43 -2.994 -6.294 1.135 1.00 10.00 C ATOM 651 C VAL A 43 -4.386 -6.722 0.619 1.00 10.00 C ATOM 652 O VAL A 43 -4.729 -6.490 -0.542 1.00 10.00 O ATOM 653 CB VAL A 43 -1.901 -7.378 1.006 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.402 -8.782 1.362 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.265 -7.404 -0.393 1.00 10.00 C ATOM 0 H VAL A 43 -2.425 -6.282 3.151 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.688 -5.481 0.477 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.141 -7.095 1.734 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.587 -9.498 1.251 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.756 -8.791 2.393 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.219 -9.057 0.695 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.503 -8.183 -0.432 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.033 -7.610 -1.138 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.807 -6.437 -0.602 1.00 10.00 H new ATOM 665 N LYS A 44 -5.245 -7.274 1.494 1.00 10.00 N ATOM 666 CA LYS A 44 -6.639 -7.514 1.119 1.00 10.00 C ATOM 667 C LYS A 44 -7.432 -6.230 0.808 1.00 10.00 C ATOM 668 O LYS A 44 -8.162 -6.175 -0.178 1.00 10.00 O ATOM 669 CB LYS A 44 -7.362 -8.426 2.113 1.00 10.00 C ATOM 670 CG LYS A 44 -7.249 -7.919 3.547 1.00 10.00 C ATOM 671 CD LYS A 44 -8.424 -8.373 4.411 1.00 10.00 C ATOM 672 CE LYS A 44 -9.518 -7.307 4.308 1.00 10.00 C ATOM 673 NZ LYS A 44 -10.814 -7.800 4.820 1.00 10.00 N ATOM 0 H LYS A 44 -5.001 -7.555 2.444 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.593 -8.054 0.173 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -8.414 -8.500 1.837 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -6.945 -9.431 2.051 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -6.318 -8.277 3.985 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -7.202 -6.830 3.543 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -8.798 -9.339 4.071 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -8.110 -8.500 5.447 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -9.218 -6.423 4.870 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -9.631 -7.001 3.268 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -11.529 -7.050 4.734 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -11.113 -8.629 4.268 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -10.713 -8.068 5.820 1.00 10.00 H new ATOM 687 N SER A 45 -7.300 -5.176 1.616 1.00 10.00 N ATOM 688 CA SER A 45 -8.047 -3.940 1.401 1.00 10.00 C ATOM 689 C SER A 45 -7.587 -3.268 0.105 1.00 10.00 C ATOM 690 O SER A 45 -8.376 -2.655 -0.611 1.00 10.00 O ATOM 691 CB SER A 45 -7.867 -3.016 2.604 1.00 10.00 C ATOM 692 OG SER A 45 -8.240 -3.723 3.777 1.00 10.00 O ATOM 0 H SER A 45 -6.681 -5.156 2.426 1.00 10.00 H new ATOM 0 HA SER A 45 -9.109 -4.165 1.300 1.00 10.00 H new ATOM 0 HB2 SER A 45 -6.831 -2.685 2.675 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.480 -2.122 2.490 1.00 10.00 H new ATOM 0 HG SER A 45 -7.481 -4.257 4.093 1.00 10.00 H new ATOM 698 N VAL A 46 -6.300 -3.431 -0.211 1.00 10.00 N ATOM 699 CA VAL A 46 -5.724 -3.003 -1.469 1.00 10.00 C ATOM 700 C VAL A 46 -6.399 -3.709 -2.655 1.00 10.00 C ATOM 701 O VAL A 46 -6.938 -3.055 -3.550 1.00 10.00 O ATOM 702 CB VAL A 46 -4.207 -3.216 -1.393 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.516 -3.115 -2.747 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.565 -2.208 -0.444 1.00 10.00 C ATOM 0 H VAL A 46 -5.626 -3.872 0.416 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.904 -1.942 -1.643 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.072 -4.232 -1.022 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.445 -3.276 -2.622 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.920 -3.872 -3.419 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.687 -2.125 -3.170 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.489 -2.378 -0.406 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.760 -1.197 -0.801 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.987 -2.328 0.554 1.00 10.00 H new ATOM 714 N LYS A 47 -6.424 -5.045 -2.644 1.00 10.00 N ATOM 715 CA LYS A 47 -7.074 -5.808 -3.713 1.00 10.00 C ATOM 716 C LYS A 47 -8.567 -5.484 -3.855 1.00 10.00 C ATOM 717 O LYS A 47 -9.100 -5.440 -4.959 1.00 10.00 O ATOM 718 CB LYS A 47 -6.731 -7.293 -3.594 1.00 10.00 C ATOM 719 CG LYS A 47 -7.744 -8.158 -2.828 1.00 10.00 C ATOM 720 CD LYS A 47 -7.009 -9.282 -2.086 1.00 10.00 C ATOM 721 CE LYS A 47 -6.761 -10.532 -2.941 1.00 10.00 C ATOM 722 NZ LYS A 47 -5.710 -11.401 -2.351 1.00 10.00 N ATOM 0 H LYS A 47 -6.004 -5.617 -1.911 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.665 -5.487 -4.671 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.620 -7.702 -4.598 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.762 -7.384 -3.104 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.299 -7.543 -2.119 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -8.472 -8.582 -3.520 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -6.052 -8.903 -1.728 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.589 -9.564 -1.207 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -7.688 -11.097 -3.038 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -6.464 -10.233 -3.946 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -5.570 -12.235 -2.956 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -4.819 -10.870 -2.282 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -6.005 -11.707 -1.402 1.00 10.00 H new ATOM 736 N THR A 48 -9.211 -5.153 -2.733 1.00 10.00 N ATOM 737 CA THR A 48 -10.624 -4.774 -2.696 1.00 10.00 C ATOM 738 C THR A 48 -10.878 -3.395 -3.320 1.00 10.00 C ATOM 739 O THR A 48 -11.974 -3.157 -3.821 1.00 10.00 O ATOM 740 CB THR A 48 -11.112 -4.804 -1.236 1.00 10.00 C ATOM 741 OG1 THR A 48 -11.179 -6.146 -0.805 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.492 -4.177 -1.015 1.00 10.00 C ATOM 0 H THR A 48 -8.762 -5.141 -1.817 1.00 10.00 H new ATOM 0 HA THR A 48 -11.184 -5.493 -3.294 1.00 10.00 H new ATOM 0 HB THR A 48 -10.394 -4.211 -0.669 1.00 10.00 H new ATOM 0 HG1 THR A 48 -10.288 -6.445 -0.526 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.756 -4.242 0.041 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.469 -3.131 -1.320 1.00 10.00 H new ATOM 0 HG23 THR A 48 -13.234 -4.712 -1.608 1.00 10.00 H new ATOM 750 N GLY A 49 -9.899 -2.482 -3.307 1.00 10.00 N ATOM 751 CA GLY A 49 -10.120 -1.119 -3.794 1.00 10.00 C ATOM 752 C GLY A 49 -10.947 -0.276 -2.822 1.00 10.00 C ATOM 753 O GLY A 49 -12.173 -0.240 -2.889 1.00 10.00 O ATOM 0 H GLY A 49 -8.954 -2.662 -2.967 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.157 -0.636 -3.961 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.628 -1.159 -4.758 1.00 10.00 H new ATOM 757 N LEU A 50 -10.271 0.421 -1.908 1.00 10.00 N ATOM 758 CA LEU A 50 -10.913 1.377 -1.011 1.00 10.00 C ATOM 759 C LEU A 50 -11.578 2.527 -1.789 1.00 10.00 C ATOM 760 O LEU A 50 -11.357 2.718 -2.976 1.00 10.00 O ATOM 761 CB LEU A 50 -9.862 1.892 -0.019 1.00 10.00 C ATOM 762 CG LEU A 50 -10.416 2.349 1.340 1.00 10.00 C ATOM 763 CD1 LEU A 50 -9.774 1.527 2.463 1.00 10.00 C ATOM 764 CD2 LEU A 50 -10.107 3.833 1.561 1.00 10.00 C ATOM 0 H LEU A 50 -9.264 0.337 -1.770 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.715 0.882 -0.463 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -9.129 1.103 0.152 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.331 2.727 -0.477 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.496 2.200 1.348 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -10.169 1.854 3.425 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -10.002 0.471 2.317 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -8.694 1.671 2.447 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -10.504 4.147 2.526 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -9.028 3.986 1.545 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -10.569 4.423 0.769 1.00 10.00 H new ATOM 776 N ASN A 51 -12.391 3.334 -1.117 1.00 10.00 N ATOM 777 CA ASN A 51 -13.264 4.339 -1.744 1.00 10.00 C ATOM 778 C ASN A 51 -12.507 5.280 -2.685 1.00 10.00 C ATOM 779 O ASN A 51 -12.792 5.389 -3.874 1.00 10.00 O ATOM 780 CB ASN A 51 -13.986 5.165 -0.668 1.00 10.00 C ATOM 781 CG ASN A 51 -14.506 4.242 0.414 1.00 10.00 C ATOM 782 OD1 ASN A 51 -13.653 3.993 1.397 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -15.577 3.663 0.317 1.00 10.00 N flip ATOM 0 H ASN A 51 -12.469 3.313 -0.100 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.989 3.789 -2.344 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -13.303 5.898 -0.238 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.811 5.721 -1.114 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -16.207 3.882 -0.454 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -15.841 2.960 1.007 1.00 10.00 H new ATOM 790 N ALA A 52 -11.512 5.948 -2.107 1.00 10.00 N ATOM 791 CA ALA A 52 -10.559 6.800 -2.802 1.00 10.00 C ATOM 792 C ALA A 52 -9.362 6.014 -3.370 1.00 10.00 C ATOM 793 O ALA A 52 -8.331 6.619 -3.662 1.00 10.00 O ATOM 794 CB ALA A 52 -10.114 7.877 -1.807 1.00 10.00 C ATOM 0 H ALA A 52 -11.343 5.907 -1.102 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.033 7.252 -3.673 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.396 8.542 -2.287 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.981 8.453 -1.483 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.649 7.404 -0.942 1.00 10.00 H new ATOM 800 N MET A 53 -9.473 4.682 -3.511 1.00 10.00 N ATOM 801 CA MET A 53 -8.357 3.835 -3.957 1.00 10.00 C ATOM 802 C MET A 53 -8.704 2.837 -5.084 1.00 10.00 C ATOM 803 O MET A 53 -9.663 2.076 -4.974 1.00 10.00 O ATOM 804 CB MET A 53 -7.838 3.107 -2.723 1.00 10.00 C ATOM 805 CG MET A 53 -6.367 2.723 -2.808 1.00 10.00 C ATOM 806 SD MET A 53 -5.762 2.378 -1.145 1.00 10.00 S ATOM 807 CE MET A 53 -5.647 0.580 -1.216 1.00 10.00 C ATOM 0 H MET A 53 -10.332 4.167 -3.320 1.00 10.00 H new ATOM 0 HA MET A 53 -7.601 4.478 -4.408 1.00 10.00 H new ATOM 0 HB2 MET A 53 -7.988 3.741 -1.849 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.431 2.205 -2.569 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.241 1.847 -3.445 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.791 3.531 -3.259 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.302 0.199 -0.255 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.628 0.161 -1.442 1.00 10.00 H new ATOM 0 HE3 MET A 53 -4.941 0.291 -1.995 1.00 10.00 H new ATOM 817 N PRO A 54 -7.918 2.771 -6.172 1.00 10.00 N ATOM 818 CA PRO A 54 -8.222 1.870 -7.276 1.00 10.00 C ATOM 819 C PRO A 54 -8.130 0.385 -6.863 1.00 10.00 C ATOM 820 O PRO A 54 -7.252 0.017 -6.077 1.00 10.00 O ATOM 821 CB PRO A 54 -7.244 2.244 -8.395 1.00 10.00 C ATOM 822 CG PRO A 54 -6.085 2.932 -7.669 1.00 10.00 C ATOM 823 CD PRO A 54 -6.734 3.567 -6.446 1.00 10.00 C ATOM 0 HA PRO A 54 -9.253 1.983 -7.611 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -6.905 1.362 -8.939 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -7.708 2.909 -9.123 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -5.313 2.217 -7.384 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -5.608 3.681 -8.301 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.053 3.562 -5.595 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -6.997 4.607 -6.638 1.00 10.00 H new ATOM 831 N PRO A 55 -9.019 -0.476 -7.391 1.00 10.00 N ATOM 832 CA PRO A 55 -9.057 -1.899 -7.069 1.00 10.00 C ATOM 833 C PRO A 55 -7.752 -2.562 -7.490 1.00 10.00 C ATOM 834 O PRO A 55 -7.248 -2.286 -8.577 1.00 10.00 O ATOM 835 CB PRO A 55 -10.269 -2.457 -7.822 1.00 10.00 C ATOM 836 CG PRO A 55 -10.375 -1.531 -9.033 1.00 10.00 C ATOM 837 CD PRO A 55 -9.963 -0.177 -8.458 1.00 10.00 C ATOM 0 HA PRO A 55 -9.156 -2.089 -6.000 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -10.117 -3.495 -8.119 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.172 -2.429 -7.212 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -9.715 -1.845 -9.842 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -11.387 -1.508 -9.438 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -9.505 0.450 -9.222 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -10.827 0.366 -8.076 1.00 10.00 H new ATOM 845 N GLY A 56 -7.155 -3.377 -6.612 1.00 10.00 N ATOM 846 CA GLY A 56 -5.837 -3.912 -6.911 1.00 10.00 C ATOM 847 C GLY A 56 -4.718 -2.884 -6.700 1.00 10.00 C ATOM 848 O GLY A 56 -3.567 -3.122 -7.069 1.00 10.00 O ATOM 0 H GLY A 56 -7.553 -3.669 -5.719 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -5.650 -4.781 -6.280 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.816 -4.259 -7.944 1.00 10.00 H new ATOM 852 N GLY A 57 -5.010 -1.744 -6.061 1.00 10.00 N ATOM 853 CA GLY A 57 -4.004 -0.720 -5.820 1.00 10.00 C ATOM 854 C GLY A 57 -3.364 -0.263 -7.135 1.00 10.00 C ATOM 855 O GLY A 57 -2.148 -0.327 -7.305 1.00 10.00 O ATOM 0 H GLY A 57 -5.937 -1.514 -5.704 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.460 0.133 -5.317 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.235 -1.110 -5.153 1.00 10.00 H new ATOM 859 N MET A 58 -4.212 0.147 -8.082 1.00 10.00 N ATOM 860 CA MET A 58 -3.866 0.640 -9.416 1.00 10.00 C ATOM 861 C MET A 58 -3.562 -0.495 -10.404 1.00 10.00 C ATOM 862 O MET A 58 -4.033 -0.473 -11.539 1.00 10.00 O ATOM 863 CB MET A 58 -2.718 1.661 -9.364 1.00 10.00 C ATOM 864 CG MET A 58 -2.727 2.557 -10.609 1.00 10.00 C ATOM 865 SD MET A 58 -1.099 3.015 -11.251 1.00 10.00 S ATOM 866 CE MET A 58 -1.614 3.998 -12.669 1.00 10.00 C ATOM 0 H MET A 58 -5.220 0.143 -7.927 1.00 10.00 H new ATOM 0 HA MET A 58 -4.750 1.154 -9.793 1.00 10.00 H new ATOM 0 HB2 MET A 58 -2.812 2.275 -8.468 1.00 10.00 H new ATOM 0 HB3 MET A 58 -1.764 1.139 -9.294 1.00 10.00 H new ATOM 0 HG2 MET A 58 -3.279 2.047 -11.398 1.00 10.00 H new ATOM 0 HG3 MET A 58 -3.276 3.469 -10.375 1.00 10.00 H new ATOM 0 HE1 MET A 58 -0.734 4.369 -13.194 1.00 10.00 H new ATOM 0 HE2 MET A 58 -2.205 3.380 -13.345 1.00 10.00 H new ATOM 0 HE3 MET A 58 -2.215 4.841 -12.328 1.00 10.00 H new ATOM 876 N CYS A 59 -2.769 -1.480 -9.979 1.00 10.00 N ATOM 877 CA CYS A 59 -2.474 -2.677 -10.763 1.00 10.00 C ATOM 878 C CYS A 59 -3.626 -3.695 -10.697 1.00 10.00 C ATOM 879 O CYS A 59 -4.468 -3.626 -9.810 1.00 10.00 O ATOM 880 CB CYS A 59 -1.123 -3.234 -10.283 1.00 10.00 C ATOM 881 SG CYS A 59 -0.820 -5.018 -10.396 1.00 10.00 S ATOM 0 H CYS A 59 -2.309 -1.467 -9.069 1.00 10.00 H new ATOM 0 HA CYS A 59 -2.388 -2.434 -11.822 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -0.339 -2.730 -10.849 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -0.999 -2.944 -9.240 1.00 10.00 H new ATOM 886 N THR A 60 -3.646 -4.646 -11.636 1.00 10.00 N ATOM 887 CA THR A 60 -4.589 -5.770 -11.655 1.00 10.00 C ATOM 888 C THR A 60 -3.847 -7.097 -11.456 1.00 10.00 C ATOM 889 O THR A 60 -4.130 -7.848 -10.523 1.00 10.00 O ATOM 890 CB THR A 60 -5.390 -5.758 -12.968 1.00 10.00 C ATOM 891 OG1 THR A 60 -6.130 -4.558 -13.049 1.00 10.00 O ATOM 892 CG2 THR A 60 -6.381 -6.920 -13.048 1.00 10.00 C ATOM 0 H THR A 60 -2.994 -4.657 -12.420 1.00 10.00 H new ATOM 0 HA THR A 60 -5.293 -5.664 -10.829 1.00 10.00 H new ATOM 0 HB THR A 60 -4.675 -5.848 -13.785 1.00 10.00 H new ATOM 0 HG1 THR A 60 -6.641 -4.545 -13.885 1.00 10.00 H new ATOM 0 HG21 THR A 60 -6.924 -6.871 -13.992 1.00 10.00 H new ATOM 0 HG22 THR A 60 -5.840 -7.864 -12.989 1.00 10.00 H new ATOM 0 HG23 THR A 60 -7.087 -6.854 -12.220 1.00 10.00 H new ATOM 900 N ASP A 61 -2.879 -7.389 -12.329 1.00 10.00 N ATOM 901 CA ASP A 61 -2.103 -8.620 -12.302 1.00 10.00 C ATOM 902 C ASP A 61 -0.956 -8.494 -11.280 1.00 10.00 C ATOM 903 O ASP A 61 0.218 -8.358 -11.620 1.00 10.00 O ATOM 904 CB ASP A 61 -1.662 -8.930 -13.740 1.00 10.00 C ATOM 905 CG ASP A 61 -1.305 -10.399 -13.914 1.00 10.00 C ATOM 906 OD1 ASP A 61 -0.881 -11.011 -12.913 1.00 10.00 O ATOM 907 OD2 ASP A 61 -1.501 -10.885 -15.047 1.00 10.00 O ATOM 0 H ASP A 61 -2.612 -6.761 -13.087 1.00 10.00 H new ATOM 0 HA ASP A 61 -2.688 -9.473 -11.959 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -2.462 -8.665 -14.431 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -0.801 -8.313 -13.998 1.00 10.00 H new ATOM 912 N CYS A 62 -1.346 -8.433 -10.005 1.00 10.00 N ATOM 913 CA CYS A 62 -0.467 -8.257 -8.847 1.00 10.00 C ATOM 914 C CYS A 62 -0.400 -9.553 -8.022 1.00 10.00 C ATOM 915 O CYS A 62 -1.402 -10.007 -7.473 1.00 10.00 O ATOM 916 CB CYS A 62 -0.941 -7.061 -8.002 1.00 10.00 C ATOM 917 SG CYS A 62 -1.978 -5.815 -8.814 1.00 10.00 S ATOM 0 H CYS A 62 -2.328 -8.508 -9.740 1.00 10.00 H new ATOM 0 HA CYS A 62 0.544 -8.040 -9.192 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.493 -7.452 -7.147 1.00 10.00 H new ATOM 0 HB3 CYS A 62 -0.058 -6.558 -7.608 1.00 10.00 H new ATOM 922 N THR A 63 0.788 -10.150 -7.932 1.00 10.00 N ATOM 923 CA THR A 63 1.084 -11.393 -7.231 1.00 10.00 C ATOM 924 C THR A 63 1.336 -11.093 -5.753 1.00 10.00 C ATOM 925 O THR A 63 2.142 -10.220 -5.444 1.00 10.00 O ATOM 926 CB THR A 63 2.377 -11.950 -7.853 1.00 10.00 C ATOM 927 OG1 THR A 63 3.260 -10.856 -7.974 1.00 10.00 O ATOM 928 CG2 THR A 63 2.127 -12.484 -9.265 1.00 10.00 C ATOM 0 H THR A 63 1.617 -9.753 -8.374 1.00 10.00 H new ATOM 0 HA THR A 63 0.259 -12.100 -7.315 1.00 10.00 H new ATOM 0 HB THR A 63 2.764 -12.758 -7.233 1.00 10.00 H new ATOM 0 HG1 THR A 63 4.153 -11.121 -7.670 1.00 10.00 H new ATOM 0 HG21 THR A 63 3.059 -12.871 -9.678 1.00 10.00 H new ATOM 0 HG22 THR A 63 1.388 -13.284 -9.226 1.00 10.00 H new ATOM 0 HG23 THR A 63 1.756 -11.678 -9.898 1.00 10.00 H new ATOM 936 N ASP A 64 0.699 -11.816 -4.825 1.00 10.00 N ATOM 937 CA ASP A 64 0.893 -11.649 -3.389 1.00 10.00 C ATOM 938 C ASP A 64 2.382 -11.541 -2.982 1.00 10.00 C ATOM 939 O ASP A 64 2.722 -10.740 -2.116 1.00 10.00 O ATOM 940 CB ASP A 64 0.124 -12.768 -2.677 1.00 10.00 C ATOM 941 CG ASP A 64 -1.348 -12.414 -2.446 1.00 10.00 C ATOM 942 OD1 ASP A 64 -2.045 -12.123 -3.442 1.00 10.00 O ATOM 943 OD2 ASP A 64 -1.771 -12.430 -1.272 1.00 10.00 O ATOM 0 H ASP A 64 0.024 -12.544 -5.059 1.00 10.00 H new ATOM 0 HA ASP A 64 0.487 -10.689 -3.070 1.00 10.00 H new ATOM 0 HB2 ASP A 64 0.186 -13.681 -3.270 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.599 -12.977 -1.718 1.00 10.00 H new ATOM 948 N GLU A 65 3.282 -12.268 -3.653 1.00 10.00 N ATOM 949 CA GLU A 65 4.731 -12.076 -3.558 1.00 10.00 C ATOM 950 C GLU A 65 5.163 -10.606 -3.752 1.00 10.00 C ATOM 951 O GLU A 65 5.752 -9.996 -2.855 1.00 10.00 O ATOM 952 CB GLU A 65 5.424 -12.987 -4.585 1.00 10.00 C ATOM 953 CG GLU A 65 5.315 -14.480 -4.218 1.00 10.00 C ATOM 954 CD GLU A 65 6.388 -14.945 -3.234 1.00 10.00 C ATOM 955 OE1 GLU A 65 6.495 -14.322 -2.155 1.00 10.00 O ATOM 956 OE2 GLU A 65 7.082 -15.923 -3.581 1.00 10.00 O ATOM 0 H GLU A 65 3.017 -13.020 -4.289 1.00 10.00 H new ATOM 0 HA GLU A 65 5.036 -12.345 -2.547 1.00 10.00 H new ATOM 0 HB2 GLU A 65 4.981 -12.824 -5.567 1.00 10.00 H new ATOM 0 HB3 GLU A 65 6.476 -12.710 -4.660 1.00 10.00 H new ATOM 0 HG2 GLU A 65 4.332 -14.669 -3.788 1.00 10.00 H new ATOM 0 HG3 GLU A 65 5.385 -15.076 -5.128 1.00 10.00 H new ATOM 963 N ASP A 66 4.859 -10.006 -4.906 1.00 10.00 N ATOM 964 CA ASP A 66 5.272 -8.647 -5.206 1.00 10.00 C ATOM 965 C ASP A 66 4.410 -7.648 -4.408 1.00 10.00 C ATOM 966 O ASP A 66 4.860 -6.564 -4.046 1.00 10.00 O ATOM 967 CB ASP A 66 5.223 -8.467 -6.728 1.00 10.00 C ATOM 968 CG ASP A 66 6.184 -9.412 -7.437 1.00 10.00 C ATOM 969 OD1 ASP A 66 5.794 -10.586 -7.643 1.00 10.00 O ATOM 970 OD2 ASP A 66 7.291 -8.931 -7.755 1.00 10.00 O ATOM 0 H ASP A 66 4.322 -10.452 -5.650 1.00 10.00 H new ATOM 0 HA ASP A 66 6.296 -8.447 -4.892 1.00 10.00 H new ATOM 0 HB2 ASP A 66 4.208 -8.646 -7.083 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.473 -7.437 -6.981 1.00 10.00 H new ATOM 975 N TYR A 67 3.181 -8.045 -4.057 1.00 10.00 N ATOM 976 CA TYR A 67 2.251 -7.264 -3.259 1.00 10.00 C ATOM 977 C TYR A 67 2.776 -7.076 -1.835 1.00 10.00 C ATOM 978 O TYR A 67 2.941 -5.951 -1.375 1.00 10.00 O ATOM 979 CB TYR A 67 0.893 -7.986 -3.243 1.00 10.00 C ATOM 980 CG TYR A 67 -0.353 -7.211 -3.601 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.375 -5.803 -3.661 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.463 -7.951 -4.050 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.398 -5.163 -4.379 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.545 -7.293 -4.644 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.466 -5.918 -4.883 1.00 10.00 C ATOM 986 OH TYR A 67 -3.390 -5.351 -5.686 1.00 10.00 O ATOM 0 H TYR A 67 2.802 -8.950 -4.334 1.00 10.00 H new ATOM 0 HA TYR A 67 2.138 -6.273 -3.699 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.962 -8.832 -3.927 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.750 -8.395 -2.243 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.386 -5.223 -3.160 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.479 -9.025 -3.936 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.362 -4.096 -4.542 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.434 -7.843 -4.916 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.003 -4.565 -6.126 1.00 10.00 H new ATOM 996 N LYS A 68 3.078 -8.175 -1.136 1.00 10.00 N ATOM 997 CA LYS A 68 3.629 -8.140 0.212 1.00 10.00 C ATOM 998 C LYS A 68 4.972 -7.425 0.174 1.00 10.00 C ATOM 999 O LYS A 68 5.200 -6.522 0.967 1.00 10.00 O ATOM 1000 CB LYS A 68 3.655 -9.525 0.898 1.00 10.00 C ATOM 1001 CG LYS A 68 4.612 -10.585 0.320 1.00 10.00 C ATOM 1002 CD LYS A 68 5.770 -11.025 1.243 1.00 10.00 C ATOM 1003 CE LYS A 68 6.699 -9.859 1.637 1.00 10.00 C ATOM 1004 NZ LYS A 68 8.010 -10.273 2.185 1.00 10.00 N ATOM 0 H LYS A 68 2.944 -9.119 -1.498 1.00 10.00 H new ATOM 0 HA LYS A 68 2.965 -7.566 0.858 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.911 -9.376 1.947 1.00 10.00 H new ATOM 0 HB3 LYS A 68 2.645 -9.933 0.871 1.00 10.00 H new ATOM 0 HG2 LYS A 68 4.029 -11.467 0.056 1.00 10.00 H new ATOM 0 HG3 LYS A 68 5.038 -10.196 -0.605 1.00 10.00 H new ATOM 0 HD2 LYS A 68 5.357 -11.475 2.146 1.00 10.00 H new ATOM 0 HD3 LYS A 68 6.355 -11.796 0.741 1.00 10.00 H new ATOM 0 HE2 LYS A 68 6.868 -9.234 0.760 1.00 10.00 H new ATOM 0 HE3 LYS A 68 6.190 -9.240 2.376 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 8.607 -9.434 2.328 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 7.869 -10.756 3.095 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 8.476 -10.920 1.518 1.00 10.00 H new ATOM 1018 N ALA A 69 5.822 -7.741 -0.811 1.00 10.00 N ATOM 1019 CA ALA A 69 7.071 -7.020 -1.019 1.00 10.00 C ATOM 1020 C ALA A 69 6.853 -5.510 -1.196 1.00 10.00 C ATOM 1021 O ALA A 69 7.752 -4.728 -0.904 1.00 10.00 O ATOM 1022 CB ALA A 69 7.794 -7.628 -2.212 1.00 10.00 C ATOM 0 H ALA A 69 5.660 -8.497 -1.477 1.00 10.00 H new ATOM 0 HA ALA A 69 7.689 -7.125 -0.127 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.731 -7.097 -2.379 1.00 10.00 H new ATOM 0 HB2 ALA A 69 8.003 -8.679 -2.014 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.167 -7.544 -3.099 1.00 10.00 H new ATOM 1028 N ALA A 70 5.667 -5.078 -1.646 1.00 10.00 N ATOM 1029 CA ALA A 70 5.369 -3.653 -1.774 1.00 10.00 C ATOM 1030 C ALA A 70 4.858 -3.105 -0.435 1.00 10.00 C ATOM 1031 O ALA A 70 5.362 -2.105 0.069 1.00 10.00 O ATOM 1032 CB ALA A 70 4.395 -3.428 -2.935 1.00 10.00 C ATOM 0 H ALA A 70 4.904 -5.695 -1.925 1.00 10.00 H new ATOM 0 HA ALA A 70 6.274 -3.095 -2.014 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.176 -2.364 -3.026 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.844 -3.786 -3.861 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.471 -3.973 -2.745 1.00 10.00 H new ATOM 1038 N ILE A 71 3.905 -3.816 0.169 1.00 10.00 N ATOM 1039 CA ILE A 71 3.294 -3.502 1.467 1.00 10.00 C ATOM 1040 C ILE A 71 4.329 -3.408 2.606 1.00 10.00 C ATOM 1041 O ILE A 71 4.166 -2.668 3.581 1.00 10.00 O ATOM 1042 CB ILE A 71 2.173 -4.538 1.745 1.00 10.00 C ATOM 1043 CG1 ILE A 71 0.889 -3.863 2.209 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.530 -5.578 2.819 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.154 -3.124 1.094 1.00 10.00 C ATOM 0 H ILE A 71 3.519 -4.663 -0.248 1.00 10.00 H new ATOM 0 HA ILE A 71 2.852 -2.507 1.426 1.00 10.00 H new ATOM 0 HB ILE A 71 2.043 -5.043 0.788 1.00 10.00 H new ATOM 0 HG12 ILE A 71 0.225 -4.616 2.635 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.126 -3.159 3.007 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.694 -6.264 2.953 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.412 -6.137 2.505 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.738 -5.071 3.761 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.751 -2.667 1.495 1.00 10.00 H new ATOM 0 HD12 ILE A 71 0.801 -2.348 0.684 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -0.114 -3.828 0.306 1.00 10.00 H new ATOM 1057 N GLU A 72 5.410 -4.180 2.472 1.00 10.00 N ATOM 1058 CA GLU A 72 6.560 -4.143 3.368 1.00 10.00 C ATOM 1059 C GLU A 72 7.606 -3.089 2.980 1.00 10.00 C ATOM 1060 O GLU A 72 8.240 -2.523 3.865 1.00 10.00 O ATOM 1061 CB GLU A 72 7.129 -5.552 3.606 1.00 10.00 C ATOM 1062 CG GLU A 72 7.772 -6.193 2.365 1.00 10.00 C ATOM 1063 CD GLU A 72 9.181 -6.723 2.567 1.00 10.00 C ATOM 1064 OE1 GLU A 72 10.099 -5.885 2.674 1.00 10.00 O ATOM 1065 OE2 GLU A 72 9.295 -7.975 2.581 1.00 10.00 O ATOM 0 H GLU A 72 5.509 -4.862 1.720 1.00 10.00 H new ATOM 0 HA GLU A 72 6.202 -3.796 4.338 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.873 -5.501 4.401 1.00 10.00 H new ATOM 0 HB3 GLU A 72 6.327 -6.200 3.961 1.00 10.00 H new ATOM 0 HG2 GLU A 72 7.137 -7.013 2.029 1.00 10.00 H new ATOM 0 HG3 GLU A 72 7.790 -5.455 1.563 1.00 10.00 H new ATOM 1072 N PHE A 73 7.738 -2.735 1.696 1.00 10.00 N ATOM 1073 CA PHE A 73 8.714 -1.739 1.251 1.00 10.00 C ATOM 1074 C PHE A 73 8.611 -0.431 2.049 1.00 10.00 C ATOM 1075 O PHE A 73 9.600 0.082 2.569 1.00 10.00 O ATOM 1076 CB PHE A 73 8.536 -1.472 -0.249 1.00 10.00 C ATOM 1077 CG PHE A 73 9.721 -0.774 -0.880 1.00 10.00 C ATOM 1078 CD1 PHE A 73 9.971 0.586 -0.615 1.00 10.00 C ATOM 1079 CD2 PHE A 73 10.621 -1.508 -1.676 1.00 10.00 C ATOM 1080 CE1 PHE A 73 11.116 1.208 -1.142 1.00 10.00 C ATOM 1081 CE2 PHE A 73 11.757 -0.881 -2.214 1.00 10.00 C ATOM 1082 CZ PHE A 73 11.998 0.479 -1.958 1.00 10.00 C ATOM 0 H PHE A 73 7.174 -3.129 0.943 1.00 10.00 H new ATOM 0 HA PHE A 73 9.710 -2.144 1.432 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.366 -2.419 -0.761 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.644 -0.864 -0.399 1.00 10.00 H new ATOM 0 HD1 PHE A 73 9.282 1.152 -0.006 1.00 10.00 H new ATOM 0 HD2 PHE A 73 10.438 -2.554 -1.873 1.00 10.00 H new ATOM 0 HE1 PHE A 73 11.318 2.245 -0.920 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.446 -1.445 -2.825 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.861 0.965 -2.388 1.00 10.00 H new ATOM 1092 N MET A 74 7.396 0.117 2.144 1.00 10.00 N ATOM 1093 CA MET A 74 7.136 1.335 2.903 1.00 10.00 C ATOM 1094 C MET A 74 7.375 1.157 4.412 1.00 10.00 C ATOM 1095 O MET A 74 7.828 2.085 5.079 1.00 10.00 O ATOM 1096 CB MET A 74 5.694 1.781 2.658 1.00 10.00 C ATOM 1097 CG MET A 74 5.443 2.318 1.237 1.00 10.00 C ATOM 1098 SD MET A 74 5.161 1.128 -0.098 1.00 10.00 S ATOM 1099 CE MET A 74 3.472 0.584 0.264 1.00 10.00 C ATOM 0 H MET A 74 6.568 -0.274 1.695 1.00 10.00 H new ATOM 0 HA MET A 74 7.838 2.094 2.557 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.027 0.939 2.841 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.435 2.555 3.380 1.00 10.00 H new ATOM 0 HG2 MET A 74 4.577 2.979 1.280 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.299 2.932 0.958 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.160 -0.152 -0.477 1.00 10.00 H new ATOM 0 HE2 MET A 74 3.439 0.136 1.257 1.00 10.00 H new ATOM 0 HE3 MET A 74 2.799 1.440 0.230 1.00 10.00 H new ATOM 1109 N SER A 75 7.038 -0.017 4.959 1.00 10.00 N ATOM 1110 CA SER A 75 7.359 -0.386 6.335 1.00 10.00 C ATOM 1111 C SER A 75 7.139 -1.890 6.566 1.00 10.00 C ATOM 1112 O SER A 75 8.103 -2.635 6.713 1.00 10.00 O ATOM 1113 CB SER A 75 6.591 0.483 7.356 1.00 10.00 C ATOM 1114 OG SER A 75 7.352 0.639 8.542 1.00 10.00 O ATOM 0 H SER A 75 6.530 -0.741 4.451 1.00 10.00 H new ATOM 0 HA SER A 75 8.418 -0.185 6.497 1.00 10.00 H new ATOM 0 HB2 SER A 75 6.376 1.460 6.923 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.632 0.020 7.589 1.00 10.00 H new ATOM 0 HG SER A 75 6.855 1.193 9.179 1.00 10.00 H new ATOM 1120 N LYS A 76 5.868 -2.307 6.656 1.00 10.00 N ATOM 1121 CA LYS A 76 5.374 -3.623 7.047 1.00 10.00 C ATOM 1122 C LYS A 76 3.871 -3.564 7.397 1.00 10.00 C ATOM 1123 O LYS A 76 3.450 -4.147 8.393 1.00 10.00 O ATOM 1124 CB LYS A 76 6.252 -4.239 8.154 1.00 10.00 C ATOM 1125 CG LYS A 76 6.573 -3.366 9.390 1.00 10.00 C ATOM 1126 CD LYS A 76 8.038 -3.495 9.870 1.00 10.00 C ATOM 1127 CE LYS A 76 8.904 -2.261 9.547 1.00 10.00 C ATOM 1128 NZ LYS A 76 9.190 -1.433 10.736 1.00 10.00 N ATOM 0 H LYS A 76 5.099 -1.674 6.437 1.00 10.00 H new ATOM 0 HA LYS A 76 5.456 -4.301 6.198 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.761 -5.147 8.504 1.00 10.00 H new ATOM 0 HB3 LYS A 76 7.197 -4.541 7.703 1.00 10.00 H new ATOM 0 HG2 LYS A 76 6.367 -2.322 9.152 1.00 10.00 H new ATOM 0 HG3 LYS A 76 5.905 -3.644 10.205 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.045 -3.662 10.947 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.487 -4.374 9.408 1.00 10.00 H new ATOM 0 HE2 LYS A 76 9.844 -2.589 9.104 1.00 10.00 H new ATOM 0 HE3 LYS A 76 8.395 -1.652 8.800 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 9.775 -0.619 10.459 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 8.296 -1.094 11.146 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 9.701 -2.002 11.441 1.00 10.00 H new ATOM 1142 N ALA A 77 3.049 -2.861 6.595 1.00 10.00 N ATOM 1143 CA ALA A 77 1.612 -2.746 6.877 1.00 10.00 C ATOM 1144 C ALA A 77 0.740 -2.310 5.690 1.00 10.00 C ATOM 1145 O ALA A 77 0.065 -3.145 5.100 1.00 10.00 O ATOM 1146 CB ALA A 77 1.367 -1.845 8.092 1.00 10.00 C ATOM 0 H ALA A 77 3.355 -2.370 5.755 1.00 10.00 H new ATOM 0 HA ALA A 77 1.290 -3.764 7.097 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.296 -1.774 8.282 1.00 10.00 H new ATOM 0 HB2 ALA A 77 1.864 -2.268 8.965 1.00 10.00 H new ATOM 0 HB3 ALA A 77 1.767 -0.850 7.894 1.00 10.00 H new ATOM 1152 N LYS A 78 0.679 -1.004 5.414 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.161 -0.408 4.371 1.00 10.00 C ATOM 1154 C LYS A 78 0.577 -0.159 3.040 1.00 10.00 C ATOM 1155 O LYS A 78 0.091 0.695 2.266 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.842 0.869 4.909 1.00 10.00 C ATOM 1157 CG LYS A 78 0.121 2.054 4.985 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.536 3.373 5.367 1.00 10.00 C ATOM 1159 CE LYS A 78 -0.832 3.420 6.864 1.00 10.00 C ATOM 1160 NZ LYS A 78 -0.382 4.665 7.493 1.00 10.00 N ATOM 1161 OXT LYS A 78 1.623 -0.796 2.808 1.00 10.00 O ATOM 0 H LYS A 78 1.228 -0.313 5.925 1.00 10.00 H new ATOM 0 HA LYS A 78 -0.929 -1.140 4.123 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.683 1.128 4.265 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.249 0.671 5.901 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.901 1.827 5.711 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.610 2.172 4.018 1.00 10.00 H new ATOM 0 HD2 LYS A 78 0.118 4.202 5.095 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.461 3.499 4.805 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -1.905 3.306 7.021 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -0.346 2.575 7.352 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -0.080 4.471 8.469 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 0.417 5.057 6.954 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -1.163 5.351 7.502 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.738 3.489 -0.635 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.498 3.805 2.387 1.00 10.00 C HETATM 1178 CHB HEC A 90 -2.207 0.645 0.538 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.314 3.100 -3.735 1.00 10.00 C HETATM 1180 CHD HEC A 90 -5.100 6.566 -1.638 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.894 2.370 1.114 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.708 2.664 2.171 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.580 1.574 3.106 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.683 0.677 2.579 1.00 10.00 C HETATM 1185 C4A HEC A 90 -3.192 1.226 1.343 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.373 -0.685 3.135 1.00 10.00 C HETATM 1187 CAA HEC A 90 -5.175 1.534 4.488 1.00 10.00 C HETATM 1188 CBA HEC A 90 -4.282 2.290 5.476 1.00 10.00 C HETATM 1189 CGA HEC A 90 -5.051 2.870 6.645 1.00 10.00 C HETATM 1190 O1A HEC A 90 -4.573 3.903 7.156 1.00 10.00 O HETATM 1191 O2A HEC A 90 -6.069 2.251 7.022 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.505 2.108 -1.455 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.942 1.075 -0.764 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.961 0.464 -1.622 1.00 10.00 C HETATM 1195 C3B HEC A 90 -1.058 1.083 -2.853 1.00 10.00 C HETATM 1196 C4B HEC A 90 -2.014 2.163 -2.727 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.034 -0.591 -1.182 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.166 0.821 -4.044 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.165 -0.642 -4.519 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.732 4.624 -2.395 1.00 10.00 N HETATM 1201 C1C HEC A 90 -3.111 4.240 -3.543 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.398 5.249 -4.546 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.159 6.233 -3.938 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.363 5.823 -2.568 1.00 10.00 C HETATM 1205 CMC HEC A 90 -2.942 5.229 -5.989 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.754 7.502 -4.541 1.00 10.00 C HETATM 1207 CBC HEC A 90 -5.090 7.446 -6.025 1.00 10.00 C HETATM 1208 ND HEC A 90 -5.002 4.974 0.256 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.388 6.131 -0.350 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.217 6.855 0.583 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.398 6.046 1.679 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.586 4.866 1.484 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.846 8.215 0.380 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.391 6.290 2.790 1.00 10.00 C HETATM 1215 CBD HEC A 90 -6.790 6.899 4.061 1.00 10.00 C HETATM 1216 CGD HEC A 90 -7.866 7.228 5.090 1.00 10.00 C HETATM 1217 O1D HEC A 90 -7.504 7.877 6.093 1.00 10.00 O HETATM 1218 O2D HEC A 90 -9.025 6.824 4.857 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -6.065 8.955 0.206 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.513 8.182 -0.481 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.414 8.489 1.269 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.853 5.214 -6.026 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.334 4.340 -6.482 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.310 6.119 -6.499 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.664 -0.189 -0.388 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.502 -1.465 -0.812 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.657 -0.879 -2.029 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.989 -0.585 4.150 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -4.281 -1.288 3.148 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.624 -1.171 2.510 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -6.072 6.202 4.494 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -6.241 7.805 3.806 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -4.185 7.238 -6.595 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -5.821 6.657 -6.203 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.505 8.403 -6.340 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 0.182 -1.287 -3.711 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.176 -0.932 -4.806 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.500 -0.746 -5.377 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -3.514 1.615 5.853 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -3.769 3.095 4.950 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -8.174 6.952 2.421 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.869 5.344 3.047 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -6.171 1.978 4.475 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -5.291 0.499 4.811 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.470 7.545 -1.943 1.00 10.00 H new HETATM 0 HHC HEC A 90 -1.900 2.929 -4.729 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.621 -0.179 0.944 1.00 10.00 H new HETATM 0 HHA HEC A 90 -6.074 3.865 3.310 1.00 10.00 H new HETATM 0 H2D HEC A 90 -9.619 7.094 5.589 1.00 10.00 H new HETATM 0 H2A HEC A 90 -6.455 2.701 7.802 1.00 10.00 H new