USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 668 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 89 THR OG1 : rot 87:sc= 0.926 USER MOD Set 1.2: A 90 HIS : no HD1:sc= -2.38 K(o=-1.5,f=-9.8!) USER MOD Set 2.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 78 HIS : no HE2:sc=-0.00928 K(o=0.76,f=-2!) USER MOD Set 2.3: A 80 TYR OH : rot 89:sc= 0.77 USER MOD Set 3.1: A 58 GLN : amide:sc= -2.44 K(o=-3,f=-8.3!) USER MOD Set 3.2: A 61 GLN : amide:sc= -0.515 X(o=-3,f=-3.4) USER MOD Set 4.1: A 50 LYS NZ :NH3+ 142:sc= 1.41 (180deg=0.0134) USER MOD Set 4.2: A 73 TYR OH : rot -95:sc= 2.14 USER MOD Set 5.1: A 1 ALA N :NH3+ -176:sc= -0.921! (180deg=-1.58!) USER MOD Set 5.2: A 3 TYR OH : rot 180:sc= 0.0458 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 1.02 K(o=1,f=-0.15) USER MOD Single : A 6 LYS NZ :NH3+ -150:sc= 1.29 (180deg=-0.0556) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0705 USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= -0.109 (180deg=-0.246) USER MOD Single : A 18 CYS SG : rot 100:sc= -1.25 USER MOD Single : A 27 GLN : amide:sc= 1.16 K(o=1.2,f=-1.7!) USER MOD Single : A 37 TYR OH : rot -149:sc= 1.29 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -58:sc= 0.269 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -5:sc= 1.09 USER MOD Single : A 53 SER OG : rot 180:sc= 0.283 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0994 USER MOD Single : A 59 SER OG : rot -30:sc= 0.601 USER MOD Single : A 62 SER OG : rot 174:sc= 0.307 USER MOD Single : A 68 GLN : amide:sc= 0.503 K(o=0.5,f=-6.9!) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 21:sc= 0.734 USER MOD Single : A 83 SER OG : rot 4:sc= 0.724 USER MOD Single : A 91 LYS NZ :NH3+ 157:sc= 2.33 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.518 -4.132 1.147 1.00 0.00 N ATOM 2 CA ALA A 1 16.305 -4.354 -0.068 1.00 0.00 C ATOM 3 C ALA A 1 15.522 -5.206 -1.060 1.00 0.00 C ATOM 4 O ALA A 1 15.743 -6.407 -1.175 1.00 0.00 O ATOM 5 CB ALA A 1 17.641 -4.965 0.300 1.00 0.00 C ATOM 0 H1 ALA A 1 16.036 -3.495 1.785 1.00 0.00 H new ATOM 0 H2 ALA A 1 14.605 -3.703 0.895 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.353 -5.041 1.625 1.00 0.00 H new ATOM 0 HA ALA A 1 16.503 -3.403 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 1 18.227 -5.130 -0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.180 -4.289 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.479 -5.917 0.806 1.00 0.00 H new ATOM 12 N THR A 2 14.615 -4.553 -1.787 1.00 0.00 N ATOM 13 CA THR A 2 13.902 -5.113 -2.932 1.00 0.00 C ATOM 14 C THR A 2 13.116 -6.382 -2.577 1.00 0.00 C ATOM 15 O THR A 2 13.509 -7.495 -2.923 1.00 0.00 O ATOM 16 CB THR A 2 14.886 -5.321 -4.099 1.00 0.00 C ATOM 17 OG1 THR A 2 15.610 -4.136 -4.351 1.00 0.00 O ATOM 18 CG2 THR A 2 14.180 -5.691 -5.407 1.00 0.00 C ATOM 0 H THR A 2 14.349 -3.589 -1.587 1.00 0.00 H new ATOM 0 HA THR A 2 13.143 -4.398 -3.250 1.00 0.00 H new ATOM 0 HB THR A 2 15.540 -6.138 -3.793 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.232 -4.284 -5.094 1.00 0.00 H new ATOM 0 HG21 THR A 2 14.921 -5.826 -6.195 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.623 -6.618 -5.270 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.493 -4.893 -5.688 1.00 0.00 H new ATOM 26 N TYR A 3 11.980 -6.209 -1.900 1.00 0.00 N ATOM 27 CA TYR A 3 11.182 -7.309 -1.369 1.00 0.00 C ATOM 28 C TYR A 3 10.007 -7.672 -2.270 1.00 0.00 C ATOM 29 O TYR A 3 9.550 -6.857 -3.068 1.00 0.00 O ATOM 30 CB TYR A 3 10.655 -6.936 0.011 1.00 0.00 C ATOM 31 CG TYR A 3 11.743 -6.603 1.004 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.645 -7.598 1.422 1.00 0.00 C ATOM 33 CD2 TYR A 3 11.884 -5.287 1.469 1.00 0.00 C ATOM 34 CE1 TYR A 3 13.671 -7.280 2.327 1.00 0.00 C ATOM 35 CE2 TYR A 3 12.894 -4.980 2.392 1.00 0.00 C ATOM 36 CZ TYR A 3 13.770 -5.979 2.846 1.00 0.00 C ATOM 37 OH TYR A 3 14.821 -5.639 3.643 1.00 0.00 O ATOM 0 H TYR A 3 11.586 -5.289 -1.704 1.00 0.00 H new ATOM 0 HA TYR A 3 11.835 -8.180 -1.313 1.00 0.00 H new ATOM 0 HB2 TYR A 3 9.987 -6.080 -0.084 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.061 -7.763 0.400 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.549 -8.606 1.047 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.217 -4.513 1.118 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.383 -8.036 2.624 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.999 -3.969 2.756 1.00 0.00 H new ATOM 0 HH TYR A 3 14.736 -4.701 3.915 1.00 0.00 H new ATOM 47 N ASN A 4 9.512 -8.902 -2.102 1.00 0.00 N ATOM 48 CA ASN A 4 8.381 -9.470 -2.811 1.00 0.00 C ATOM 49 C ASN A 4 7.089 -9.002 -2.150 1.00 0.00 C ATOM 50 O ASN A 4 6.528 -9.704 -1.309 1.00 0.00 O ATOM 51 CB ASN A 4 8.510 -10.992 -2.735 1.00 0.00 C ATOM 52 CG ASN A 4 7.503 -11.710 -3.615 1.00 0.00 C ATOM 53 OD1 ASN A 4 7.840 -12.200 -4.688 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.278 -11.777 -3.130 1.00 0.00 N ATOM 0 H ASN A 4 9.916 -9.555 -1.431 1.00 0.00 H new ATOM 0 HA ASN A 4 8.363 -9.152 -3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.518 -11.282 -3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.377 -11.313 -1.702 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.547 -12.258 -3.655 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.062 -11.348 -2.230 1.00 0.00 H new ATOM 61 N VAL A 5 6.621 -7.814 -2.513 1.00 0.00 N ATOM 62 CA VAL A 5 5.402 -7.267 -1.940 1.00 0.00 C ATOM 63 C VAL A 5 4.210 -7.872 -2.665 1.00 0.00 C ATOM 64 O VAL A 5 4.097 -7.679 -3.878 1.00 0.00 O ATOM 65 CB VAL A 5 5.385 -5.741 -2.086 1.00 0.00 C ATOM 66 CG1 VAL A 5 4.053 -5.163 -1.576 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.572 -5.125 -1.336 1.00 0.00 C ATOM 0 H VAL A 5 7.070 -7.212 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 5 5.354 -7.510 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 5 5.478 -5.489 -3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.060 -4.079 -1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.229 -5.582 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.925 -5.418 -0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.549 -4.041 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.508 -5.383 -0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.504 -5.513 -1.748 1.00 0.00 H new ATOM 77 N LYS A 6 3.297 -8.549 -1.954 1.00 0.00 N ATOM 78 CA LYS A 6 2.036 -8.902 -2.560 1.00 0.00 C ATOM 79 C LYS A 6 0.976 -7.831 -2.372 1.00 0.00 C ATOM 80 O LYS A 6 0.736 -7.366 -1.258 1.00 0.00 O ATOM 81 CB LYS A 6 1.553 -10.258 -2.089 1.00 0.00 C ATOM 82 CG LYS A 6 0.555 -10.714 -3.154 1.00 0.00 C ATOM 83 CD LYS A 6 -0.244 -11.918 -2.746 1.00 0.00 C ATOM 84 CE LYS A 6 0.581 -13.016 -2.094 1.00 0.00 C ATOM 85 NZ LYS A 6 -0.050 -14.306 -2.435 1.00 0.00 N ATOM 0 H LYS A 6 3.415 -8.850 -0.987 1.00 0.00 H new ATOM 0 HA LYS A 6 2.216 -8.971 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.380 -10.961 -1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.081 -10.190 -1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.127 -9.893 -3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.094 -10.940 -4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.025 -11.605 -2.053 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.742 -12.326 -3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.610 -12.986 -2.452 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.615 -12.880 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.120 -14.989 -1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.074 -14.170 -2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.358 -14.669 -3.320 1.00 0.00 H new ATOM 99 N LEU A 7 0.313 -7.510 -3.488 1.00 0.00 N ATOM 100 CA LEU A 7 -0.858 -6.676 -3.552 1.00 0.00 C ATOM 101 C LEU A 7 -2.023 -7.566 -3.941 1.00 0.00 C ATOM 102 O LEU A 7 -2.079 -7.983 -5.093 1.00 0.00 O ATOM 103 CB LEU A 7 -0.592 -5.601 -4.607 1.00 0.00 C ATOM 104 CG LEU A 7 0.611 -4.704 -4.309 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.678 -3.642 -5.399 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.573 -4.063 -2.926 1.00 0.00 C ATOM 0 H LEU A 7 0.604 -7.848 -4.405 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.089 -6.189 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.438 -6.086 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.480 -4.976 -4.703 1.00 0.00 H new ATOM 0 HG LEU A 7 1.507 -5.324 -4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.528 -2.985 -5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.796 -4.124 -6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.242 -3.057 -5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.458 -3.442 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.321 -3.446 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.554 -4.842 -2.164 1.00 0.00 H new ATOM 118 N ILE A 8 -2.924 -7.870 -3.000 1.00 0.00 N ATOM 119 CA ILE A 8 -4.193 -8.512 -3.275 1.00 0.00 C ATOM 120 C ILE A 8 -5.087 -7.423 -3.861 1.00 0.00 C ATOM 121 O ILE A 8 -5.671 -6.605 -3.149 1.00 0.00 O ATOM 122 CB ILE A 8 -4.725 -9.196 -2.004 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.800 -10.343 -1.573 1.00 0.00 C ATOM 124 CG2 ILE A 8 -6.163 -9.705 -2.189 1.00 0.00 C ATOM 125 CD1 ILE A 8 -3.832 -10.576 -0.064 1.00 0.00 C ATOM 0 H ILE A 8 -2.779 -7.669 -2.011 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.129 -9.326 -3.997 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.740 -8.445 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.096 -11.258 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.779 -10.120 -1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.502 -10.181 -1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.818 -8.867 -2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.191 -10.429 -3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.162 -11.397 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.510 -9.671 0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.847 -10.827 0.244 1.00 0.00 H new ATOM 137 N THR A 9 -5.106 -7.353 -5.188 1.00 0.00 N ATOM 138 CA THR A 9 -5.958 -6.471 -5.951 1.00 0.00 C ATOM 139 C THR A 9 -7.274 -7.195 -6.247 1.00 0.00 C ATOM 140 O THR A 9 -7.266 -8.427 -6.301 1.00 0.00 O ATOM 141 CB THR A 9 -5.236 -6.152 -7.254 1.00 0.00 C ATOM 142 OG1 THR A 9 -4.838 -7.369 -7.857 1.00 0.00 O ATOM 143 CG2 THR A 9 -3.929 -5.402 -7.008 1.00 0.00 C ATOM 0 H THR A 9 -4.505 -7.932 -5.775 1.00 0.00 H new ATOM 0 HA THR A 9 -6.173 -5.553 -5.404 1.00 0.00 H new ATOM 0 HB THR A 9 -5.918 -5.557 -7.861 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.373 -7.180 -8.699 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.444 -5.193 -7.962 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.139 -4.464 -6.494 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.269 -6.013 -6.392 1.00 0.00 H new ATOM 151 N PRO A 10 -8.372 -6.465 -6.501 1.00 0.00 N ATOM 152 CA PRO A 10 -9.683 -7.024 -6.809 1.00 0.00 C ATOM 153 C PRO A 10 -9.629 -8.047 -7.947 1.00 0.00 C ATOM 154 O PRO A 10 -10.301 -9.073 -7.906 1.00 0.00 O ATOM 155 CB PRO A 10 -10.566 -5.836 -7.175 1.00 0.00 C ATOM 156 CG PRO A 10 -9.898 -4.652 -6.511 1.00 0.00 C ATOM 157 CD PRO A 10 -8.432 -5.017 -6.524 1.00 0.00 C ATOM 0 HA PRO A 10 -10.077 -7.572 -5.953 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.626 -5.704 -8.255 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.585 -5.972 -6.813 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.086 -3.728 -7.057 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.265 -4.502 -5.496 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.941 -4.622 -7.413 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.918 -4.593 -5.661 1.00 0.00 H new ATOM 165 N ASP A 11 -8.795 -7.743 -8.945 1.00 0.00 N ATOM 166 CA ASP A 11 -8.436 -8.555 -10.096 1.00 0.00 C ATOM 167 C ASP A 11 -8.099 -9.979 -9.682 1.00 0.00 C ATOM 168 O ASP A 11 -8.437 -10.942 -10.365 1.00 0.00 O ATOM 169 CB ASP A 11 -7.191 -7.915 -10.716 1.00 0.00 C ATOM 170 CG ASP A 11 -7.526 -6.570 -11.334 1.00 0.00 C ATOM 171 OD1 ASP A 11 -7.728 -5.646 -10.512 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.598 -6.502 -12.579 1.00 0.00 O ATOM 0 H ASP A 11 -8.316 -6.843 -8.964 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.271 -8.598 -10.795 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.424 -7.788 -9.952 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.777 -8.577 -11.477 1.00 0.00 H new ATOM 177 N GLY A 12 -7.407 -10.072 -8.552 1.00 0.00 N ATOM 178 CA GLY A 12 -7.047 -11.296 -7.890 1.00 0.00 C ATOM 179 C GLY A 12 -5.530 -11.401 -7.788 1.00 0.00 C ATOM 180 O GLY A 12 -4.932 -12.281 -8.403 1.00 0.00 O ATOM 0 H GLY A 12 -7.070 -9.246 -8.057 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.490 -11.326 -6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.443 -12.149 -8.441 1.00 0.00 H new ATOM 184 N GLU A 13 -4.943 -10.491 -7.000 1.00 0.00 N ATOM 185 CA GLU A 13 -3.524 -10.380 -6.687 1.00 0.00 C ATOM 186 C GLU A 13 -2.688 -9.952 -7.895 1.00 0.00 C ATOM 187 O GLU A 13 -3.127 -10.019 -9.041 1.00 0.00 O ATOM 188 CB GLU A 13 -2.987 -11.673 -6.067 1.00 0.00 C ATOM 189 CG GLU A 13 -3.499 -11.987 -4.653 1.00 0.00 C ATOM 190 CD GLU A 13 -3.224 -13.435 -4.221 1.00 0.00 C ATOM 191 OE1 GLU A 13 -3.745 -14.336 -4.904 1.00 0.00 O ATOM 192 OE2 GLU A 13 -2.489 -13.632 -3.221 1.00 0.00 O ATOM 0 H GLU A 13 -5.490 -9.766 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.429 -9.587 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.246 -12.505 -6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.899 -11.617 -6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.028 -11.307 -3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.572 -11.799 -4.611 1.00 0.00 H new ATOM 199 N VAL A 14 -1.455 -9.514 -7.615 1.00 0.00 N ATOM 200 CA VAL A 14 -0.456 -9.256 -8.644 1.00 0.00 C ATOM 201 C VAL A 14 0.930 -9.729 -8.204 1.00 0.00 C ATOM 202 O VAL A 14 1.495 -10.624 -8.826 1.00 0.00 O ATOM 203 CB VAL A 14 -0.539 -7.795 -9.113 1.00 0.00 C ATOM 204 CG1 VAL A 14 -0.420 -6.724 -8.033 1.00 0.00 C ATOM 205 CG2 VAL A 14 0.455 -7.523 -10.241 1.00 0.00 C ATOM 0 H VAL A 14 -1.127 -9.330 -6.667 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.671 -9.853 -9.530 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.564 -7.702 -9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.494 -5.737 -8.490 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.223 -6.849 -7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.542 -6.820 -7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.375 -6.482 -10.553 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.468 -7.719 -9.889 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.233 -8.174 -11.087 1.00 0.00 H new ATOM 215 N GLU A 15 1.435 -9.161 -7.107 1.00 0.00 N ATOM 216 CA GLU A 15 2.730 -9.478 -6.509 1.00 0.00 C ATOM 217 C GLU A 15 3.884 -8.898 -7.326 1.00 0.00 C ATOM 218 O GLU A 15 3.906 -9.009 -8.550 1.00 0.00 O ATOM 219 CB GLU A 15 2.864 -10.990 -6.263 1.00 0.00 C ATOM 220 CG GLU A 15 3.627 -11.366 -4.991 1.00 0.00 C ATOM 221 CD GLU A 15 3.364 -12.808 -4.559 1.00 0.00 C ATOM 222 OE1 GLU A 15 2.214 -13.279 -4.713 1.00 0.00 O ATOM 223 OE2 GLU A 15 4.319 -13.396 -4.013 1.00 0.00 O ATOM 0 H GLU A 15 0.931 -8.439 -6.592 1.00 0.00 H new ATOM 0 HA GLU A 15 2.785 -8.996 -5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.866 -11.426 -6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.367 -11.440 -7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.695 -11.229 -5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.340 -10.690 -4.185 1.00 0.00 H new ATOM 230 N PHE A 16 4.819 -8.215 -6.659 1.00 0.00 N ATOM 231 CA PHE A 16 5.842 -7.445 -7.353 1.00 0.00 C ATOM 232 C PHE A 16 7.031 -7.107 -6.456 1.00 0.00 C ATOM 233 O PHE A 16 6.979 -7.337 -5.245 1.00 0.00 O ATOM 234 CB PHE A 16 5.221 -6.232 -8.034 1.00 0.00 C ATOM 235 CG PHE A 16 5.075 -5.042 -7.140 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.165 -5.069 -6.075 1.00 0.00 C ATOM 237 CD2 PHE A 16 5.993 -3.989 -7.264 1.00 0.00 C ATOM 238 CE1 PHE A 16 4.135 -4.003 -5.169 1.00 0.00 C ATOM 239 CE2 PHE A 16 5.933 -2.915 -6.378 1.00 0.00 C ATOM 240 CZ PHE A 16 4.972 -2.892 -5.358 1.00 0.00 C ATOM 0 H PHE A 16 4.884 -8.183 -5.642 1.00 0.00 H new ATOM 0 HA PHE A 16 6.265 -8.069 -8.140 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.834 -5.956 -8.892 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.239 -6.507 -8.419 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.492 -5.905 -5.954 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.742 -4.010 -8.042 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.466 -4.035 -4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.630 -2.096 -6.478 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.876 -2.025 -4.721 1.00 0.00 H new ATOM 250 N LYS A 17 8.126 -6.625 -7.058 1.00 0.00 N ATOM 251 CA LYS A 17 9.340 -6.286 -6.335 1.00 0.00 C ATOM 252 C LYS A 17 9.372 -4.804 -5.999 1.00 0.00 C ATOM 253 O LYS A 17 9.275 -3.962 -6.886 1.00 0.00 O ATOM 254 CB LYS A 17 10.592 -6.729 -7.107 1.00 0.00 C ATOM 255 CG LYS A 17 11.376 -7.772 -6.296 1.00 0.00 C ATOM 256 CD LYS A 17 10.577 -9.064 -6.085 1.00 0.00 C ATOM 257 CE LYS A 17 10.918 -10.145 -7.119 1.00 0.00 C ATOM 258 NZ LYS A 17 10.617 -9.710 -8.499 1.00 0.00 N ATOM 0 H LYS A 17 8.186 -6.462 -8.063 1.00 0.00 H new ATOM 0 HA LYS A 17 9.339 -6.834 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.304 -7.149 -8.071 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.226 -5.866 -7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.308 -8.004 -6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.643 -7.350 -5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.774 -9.449 -5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.511 -8.840 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.975 -10.399 -7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.355 -11.051 -6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.717 -10.517 -9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.643 -9.348 -8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.279 -8.958 -8.778 1.00 0.00 H new ATOM 272 N CYS A 18 9.526 -4.497 -4.711 1.00 0.00 N ATOM 273 CA CYS A 18 9.558 -3.124 -4.234 1.00 0.00 C ATOM 274 C CYS A 18 10.732 -2.868 -3.293 1.00 0.00 C ATOM 275 O CYS A 18 10.906 -3.581 -2.300 1.00 0.00 O ATOM 276 CB CYS A 18 8.230 -2.787 -3.582 1.00 0.00 C ATOM 277 SG CYS A 18 8.131 -0.983 -3.535 1.00 0.00 S ATOM 0 H CYS A 18 9.631 -5.195 -3.974 1.00 0.00 H new ATOM 0 HA CYS A 18 9.710 -2.464 -5.088 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.400 -3.207 -4.150 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.173 -3.206 -2.577 1.00 0.00 H new ATOM 0 HG CYS A 18 7.386 -0.564 -4.515 1.00 0.00 H new ATOM 283 N ASP A 19 11.561 -1.877 -3.630 1.00 0.00 N ATOM 284 CA ASP A 19 12.683 -1.414 -2.837 1.00 0.00 C ATOM 285 C ASP A 19 12.171 -0.749 -1.564 1.00 0.00 C ATOM 286 O ASP A 19 11.247 0.052 -1.593 1.00 0.00 O ATOM 287 CB ASP A 19 13.544 -0.421 -3.636 1.00 0.00 C ATOM 288 CG ASP A 19 13.835 -0.853 -5.068 1.00 0.00 C ATOM 289 OD1 ASP A 19 12.845 -1.086 -5.801 1.00 0.00 O ATOM 290 OD2 ASP A 19 15.032 -0.929 -5.414 1.00 0.00 O ATOM 0 H ASP A 19 11.457 -1.358 -4.502 1.00 0.00 H new ATOM 0 HA ASP A 19 13.302 -2.272 -2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.039 0.545 -3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.490 -0.276 -3.114 1.00 0.00 H new ATOM 295 N ASP A 20 12.833 -1.016 -0.448 1.00 0.00 N ATOM 296 CA ASP A 20 12.661 -0.333 0.825 1.00 0.00 C ATOM 297 C ASP A 20 12.870 1.174 0.696 1.00 0.00 C ATOM 298 O ASP A 20 12.292 1.947 1.455 1.00 0.00 O ATOM 299 CB ASP A 20 13.580 -0.944 1.905 1.00 0.00 C ATOM 300 CG ASP A 20 14.975 -1.369 1.489 1.00 0.00 C ATOM 301 OD1 ASP A 20 15.171 -1.667 0.293 1.00 0.00 O ATOM 302 OD2 ASP A 20 15.723 -1.877 2.353 1.00 0.00 O ATOM 0 H ASP A 20 13.539 -1.751 -0.404 1.00 0.00 H new ATOM 0 HA ASP A 20 11.628 -0.481 1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.678 -0.217 2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.074 -1.816 2.321 1.00 0.00 H new ATOM 307 N ASP A 21 13.675 1.587 -0.280 1.00 0.00 N ATOM 308 CA ASP A 21 13.958 2.981 -0.578 1.00 0.00 C ATOM 309 C ASP A 21 12.922 3.582 -1.535 1.00 0.00 C ATOM 310 O ASP A 21 13.061 4.747 -1.905 1.00 0.00 O ATOM 311 CB ASP A 21 15.368 3.097 -1.180 1.00 0.00 C ATOM 312 CG ASP A 21 16.471 2.805 -0.172 1.00 0.00 C ATOM 313 OD1 ASP A 21 16.565 3.574 0.809 1.00 0.00 O ATOM 314 OD2 ASP A 21 17.218 1.832 -0.413 1.00 0.00 O ATOM 0 H ASP A 21 14.160 0.939 -0.901 1.00 0.00 H new ATOM 0 HA ASP A 21 13.905 3.546 0.353 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.457 2.406 -2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.505 4.102 -1.579 1.00 0.00 H new ATOM 319 N VAL A 22 11.899 2.827 -1.965 1.00 0.00 N ATOM 320 CA VAL A 22 10.923 3.305 -2.936 1.00 0.00 C ATOM 321 C VAL A 22 9.502 2.981 -2.477 1.00 0.00 C ATOM 322 O VAL A 22 9.283 2.092 -1.657 1.00 0.00 O ATOM 323 CB VAL A 22 11.257 2.748 -4.332 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.574 1.417 -4.652 1.00 0.00 C ATOM 325 CG2 VAL A 22 10.868 3.755 -5.411 1.00 0.00 C ATOM 0 H VAL A 22 11.732 1.873 -1.646 1.00 0.00 H new ATOM 0 HA VAL A 22 10.975 4.391 -3.008 1.00 0.00 H new ATOM 0 HB VAL A 22 12.332 2.571 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.860 1.092 -5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.882 0.666 -3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.492 1.543 -4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.110 3.348 -6.393 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.798 3.954 -5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.418 4.683 -5.258 1.00 0.00 H new ATOM 335 N TYR A 23 8.524 3.738 -2.970 1.00 0.00 N ATOM 336 CA TYR A 23 7.160 3.594 -2.507 1.00 0.00 C ATOM 337 C TYR A 23 6.484 2.379 -3.144 1.00 0.00 C ATOM 338 O TYR A 23 6.768 2.051 -4.299 1.00 0.00 O ATOM 339 CB TYR A 23 6.387 4.879 -2.791 1.00 0.00 C ATOM 340 CG TYR A 23 6.997 6.129 -2.181 1.00 0.00 C ATOM 341 CD1 TYR A 23 7.228 6.199 -0.792 1.00 0.00 C ATOM 342 CD2 TYR A 23 7.196 7.275 -2.973 1.00 0.00 C ATOM 343 CE1 TYR A 23 7.480 7.442 -0.189 1.00 0.00 C ATOM 344 CE2 TYR A 23 7.576 8.489 -2.378 1.00 0.00 C ATOM 345 CZ TYR A 23 7.676 8.582 -0.981 1.00 0.00 C ATOM 346 OH TYR A 23 7.870 9.793 -0.387 1.00 0.00 O ATOM 0 H TYR A 23 8.657 4.452 -3.686 1.00 0.00 H new ATOM 0 HA TYR A 23 7.167 3.423 -1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.316 5.014 -3.870 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.370 4.766 -2.416 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.211 5.300 -0.194 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.056 7.221 -4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.523 7.520 0.887 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.791 9.350 -2.994 1.00 0.00 H new ATOM 0 HH TYR A 23 7.991 10.480 -1.076 1.00 0.00 H new ATOM 356 N VAL A 24 5.547 1.739 -2.429 1.00 0.00 N ATOM 357 CA VAL A 24 4.693 0.679 -2.963 1.00 0.00 C ATOM 358 C VAL A 24 3.652 1.264 -3.924 1.00 0.00 C ATOM 359 O VAL A 24 2.446 1.183 -3.707 1.00 0.00 O ATOM 360 CB VAL A 24 3.987 -0.109 -1.845 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.478 -1.442 -2.393 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.868 -0.485 -0.656 1.00 0.00 C ATOM 0 H VAL A 24 5.362 1.950 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 24 5.338 -0.013 -3.504 1.00 0.00 H new ATOM 0 HB VAL A 24 3.203 0.567 -1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.979 -1.996 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.773 -1.257 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.318 -2.025 -2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.277 -1.037 0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.695 -1.107 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.262 0.420 -0.195 1.00 0.00 H new ATOM 372 N LEU A 25 4.152 1.839 -5.005 1.00 0.00 N ATOM 373 CA LEU A 25 3.394 2.441 -6.077 1.00 0.00 C ATOM 374 C LEU A 25 4.377 2.642 -7.216 1.00 0.00 C ATOM 375 O LEU A 25 4.114 2.189 -8.316 1.00 0.00 O ATOM 376 CB LEU A 25 2.728 3.746 -5.621 1.00 0.00 C ATOM 377 CG LEU A 25 2.043 4.550 -6.740 1.00 0.00 C ATOM 378 CD1 LEU A 25 3.040 5.323 -7.617 1.00 0.00 C ATOM 379 CD2 LEU A 25 1.112 3.682 -7.594 1.00 0.00 C ATOM 0 H LEU A 25 5.158 1.899 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 25 2.568 1.808 -6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.987 3.511 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.482 4.376 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 25 1.427 5.292 -6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.498 5.870 -8.388 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.600 6.025 -6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.730 4.623 -8.087 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.653 4.295 -8.369 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.686 2.880 -8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.334 3.253 -6.963 1.00 0.00 H new ATOM 391 N ASP A 26 5.520 3.278 -6.959 1.00 0.00 N ATOM 392 CA ASP A 26 6.485 3.614 -8.002 1.00 0.00 C ATOM 393 C ASP A 26 6.902 2.369 -8.783 1.00 0.00 C ATOM 394 O ASP A 26 6.617 2.233 -9.973 1.00 0.00 O ATOM 395 CB ASP A 26 7.693 4.295 -7.356 1.00 0.00 C ATOM 396 CG ASP A 26 7.447 5.782 -7.166 1.00 0.00 C ATOM 397 OD1 ASP A 26 6.754 6.106 -6.178 1.00 0.00 O ATOM 398 OD2 ASP A 26 7.946 6.559 -8.006 1.00 0.00 O ATOM 0 H ASP A 26 5.801 3.573 -6.024 1.00 0.00 H new ATOM 0 HA ASP A 26 6.027 4.299 -8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.903 3.832 -6.392 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.575 4.146 -7.979 1.00 0.00 H new ATOM 403 N GLN A 27 7.537 1.422 -8.084 1.00 0.00 N ATOM 404 CA GLN A 27 7.903 0.144 -8.684 1.00 0.00 C ATOM 405 C GLN A 27 6.656 -0.566 -9.221 1.00 0.00 C ATOM 406 O GLN A 27 6.706 -1.275 -10.220 1.00 0.00 O ATOM 407 CB GLN A 27 8.617 -0.735 -7.651 1.00 0.00 C ATOM 408 CG GLN A 27 10.126 -0.486 -7.588 1.00 0.00 C ATOM 409 CD GLN A 27 10.909 -1.252 -8.653 1.00 0.00 C ATOM 410 OE1 GLN A 27 10.443 -1.443 -9.772 1.00 0.00 O ATOM 411 NE2 GLN A 27 12.113 -1.697 -8.315 1.00 0.00 N ATOM 0 H GLN A 27 7.806 1.520 -7.105 1.00 0.00 H new ATOM 0 HA GLN A 27 8.582 0.326 -9.517 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.184 -0.553 -6.667 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.438 -1.783 -7.890 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.316 0.581 -7.704 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.493 -0.770 -6.602 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.476 -1.524 -7.378 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.675 -2.212 -8.993 1.00 0.00 H new ATOM 420 N ALA A 28 5.516 -0.373 -8.561 1.00 0.00 N ATOM 421 CA ALA A 28 4.266 -0.956 -9.003 1.00 0.00 C ATOM 422 C ALA A 28 3.946 -0.497 -10.431 1.00 0.00 C ATOM 423 O ALA A 28 3.830 -1.340 -11.320 1.00 0.00 O ATOM 424 CB ALA A 28 3.161 -0.628 -7.999 1.00 0.00 C ATOM 0 H ALA A 28 5.440 0.188 -7.713 1.00 0.00 H new ATOM 0 HA ALA A 28 4.347 -2.042 -9.040 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.222 -1.068 -8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.424 -1.035 -7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.048 0.453 -7.923 1.00 0.00 H new ATOM 430 N GLU A 29 3.839 0.816 -10.664 1.00 0.00 N ATOM 431 CA GLU A 29 3.607 1.387 -11.982 1.00 0.00 C ATOM 432 C GLU A 29 4.662 0.827 -12.956 1.00 0.00 C ATOM 433 O GLU A 29 4.303 0.425 -14.061 1.00 0.00 O ATOM 434 CB GLU A 29 3.539 2.937 -11.976 1.00 0.00 C ATOM 435 CG GLU A 29 2.264 3.532 -11.323 1.00 0.00 C ATOM 436 CD GLU A 29 2.059 5.046 -11.564 1.00 0.00 C ATOM 437 OE1 GLU A 29 2.203 5.444 -12.739 1.00 0.00 O ATOM 438 OE2 GLU A 29 1.725 5.808 -10.615 1.00 0.00 O ATOM 0 H GLU A 29 3.913 1.517 -9.926 1.00 0.00 H new ATOM 0 HA GLU A 29 2.617 1.086 -12.326 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.413 3.322 -11.450 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.603 3.293 -13.004 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.394 2.997 -11.703 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.305 3.351 -10.249 1.00 0.00 H new ATOM 445 N GLU A 30 5.933 0.714 -12.531 1.00 0.00 N ATOM 446 CA GLU A 30 6.977 0.059 -13.328 1.00 0.00 C ATOM 447 C GLU A 30 6.601 -1.358 -13.774 1.00 0.00 C ATOM 448 O GLU A 30 6.823 -1.714 -14.931 1.00 0.00 O ATOM 449 CB GLU A 30 8.357 0.107 -12.654 1.00 0.00 C ATOM 450 CG GLU A 30 8.892 1.537 -12.488 1.00 0.00 C ATOM 451 CD GLU A 30 9.457 2.087 -13.793 1.00 0.00 C ATOM 452 OE1 GLU A 30 10.607 1.710 -14.113 1.00 0.00 O ATOM 453 OE2 GLU A 30 8.736 2.865 -14.451 1.00 0.00 O ATOM 0 H GLU A 30 6.260 1.072 -11.633 1.00 0.00 H new ATOM 0 HA GLU A 30 7.054 0.650 -14.241 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.294 -0.368 -11.675 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.065 -0.474 -13.245 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.090 2.186 -12.137 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.668 1.548 -11.723 1.00 0.00 H new ATOM 460 N GLU A 31 6.034 -2.174 -12.885 1.00 0.00 N ATOM 461 CA GLU A 31 5.667 -3.546 -13.247 1.00 0.00 C ATOM 462 C GLU A 31 4.370 -3.546 -14.057 1.00 0.00 C ATOM 463 O GLU A 31 4.100 -4.470 -14.823 1.00 0.00 O ATOM 464 CB GLU A 31 5.554 -4.423 -11.995 1.00 0.00 C ATOM 465 CG GLU A 31 6.787 -4.221 -11.099 1.00 0.00 C ATOM 466 CD GLU A 31 7.597 -5.500 -10.822 1.00 0.00 C ATOM 467 OE1 GLU A 31 7.776 -6.284 -11.779 1.00 0.00 O ATOM 468 OE2 GLU A 31 8.010 -5.710 -9.655 1.00 0.00 O ATOM 0 H GLU A 31 5.821 -1.915 -11.922 1.00 0.00 H new ATOM 0 HA GLU A 31 6.452 -3.972 -13.872 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.648 -4.170 -11.444 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.470 -5.471 -12.282 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.442 -3.486 -11.566 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.463 -3.799 -10.148 1.00 0.00 H new ATOM 475 N GLY A 32 3.569 -2.498 -13.866 1.00 0.00 N ATOM 476 CA GLY A 32 2.322 -2.236 -14.571 1.00 0.00 C ATOM 477 C GLY A 32 1.132 -2.175 -13.613 1.00 0.00 C ATOM 478 O GLY A 32 -0.016 -2.202 -14.051 1.00 0.00 O ATOM 0 H GLY A 32 3.786 -1.775 -13.180 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.402 -1.294 -15.113 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.152 -3.017 -15.313 1.00 0.00 H new ATOM 482 N ILE A 33 1.388 -2.112 -12.305 1.00 0.00 N ATOM 483 CA ILE A 33 0.337 -2.105 -11.298 1.00 0.00 C ATOM 484 C ILE A 33 -0.339 -0.737 -11.221 1.00 0.00 C ATOM 485 O ILE A 33 0.236 0.225 -10.713 1.00 0.00 O ATOM 486 CB ILE A 33 0.921 -2.490 -9.940 1.00 0.00 C ATOM 487 CG1 ILE A 33 1.488 -3.907 -10.042 1.00 0.00 C ATOM 488 CG2 ILE A 33 -0.162 -2.407 -8.849 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.383 -4.321 -8.875 1.00 0.00 C ATOM 0 H ILE A 33 2.331 -2.065 -11.919 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.421 -2.836 -11.581 1.00 0.00 H new ATOM 0 HB ILE A 33 1.718 -1.799 -9.665 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.659 -4.611 -10.114 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.058 -3.990 -10.967 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.269 -2.684 -7.887 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.546 -1.388 -8.795 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.976 -3.090 -9.092 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.739 -5.339 -9.033 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.235 -3.644 -8.812 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.814 -4.275 -7.946 1.00 0.00 H new ATOM 501 N ASP A 34 -1.601 -0.685 -11.644 1.00 0.00 N ATOM 502 CA ASP A 34 -2.431 0.512 -11.545 1.00 0.00 C ATOM 503 C ASP A 34 -3.154 0.507 -10.195 1.00 0.00 C ATOM 504 O ASP A 34 -4.347 0.214 -10.119 1.00 0.00 O ATOM 505 CB ASP A 34 -3.415 0.545 -12.722 1.00 0.00 C ATOM 506 CG ASP A 34 -4.094 1.903 -12.924 1.00 0.00 C ATOM 507 OD1 ASP A 34 -3.434 2.946 -12.704 1.00 0.00 O ATOM 508 OD2 ASP A 34 -5.265 1.877 -13.363 1.00 0.00 O ATOM 0 H ASP A 34 -2.079 -1.480 -12.068 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.819 1.412 -11.597 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.884 0.276 -13.635 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.181 -0.214 -12.564 1.00 0.00 H new ATOM 513 N ILE A 35 -2.434 0.768 -9.096 1.00 0.00 N ATOM 514 CA ILE A 35 -3.086 0.882 -7.792 1.00 0.00 C ATOM 515 C ILE A 35 -4.092 2.047 -7.842 1.00 0.00 C ATOM 516 O ILE A 35 -3.981 2.925 -8.695 1.00 0.00 O ATOM 517 CB ILE A 35 -2.033 0.998 -6.654 1.00 0.00 C ATOM 518 CG1 ILE A 35 -1.989 -0.190 -5.679 1.00 0.00 C ATOM 519 CG2 ILE A 35 -2.000 2.354 -5.930 1.00 0.00 C ATOM 520 CD1 ILE A 35 -0.621 -0.321 -4.987 1.00 0.00 C ATOM 0 H ILE A 35 -1.423 0.901 -9.085 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.650 -0.022 -7.561 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.097 0.946 -7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.766 -0.068 -4.924 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.211 -1.110 -6.219 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.234 2.334 -5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.771 3.143 -6.646 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.971 2.547 -5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.637 -1.173 -4.308 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.154 -0.470 -5.739 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.410 0.588 -4.424 1.00 0.00 H new ATOM 532 N PRO A 36 -5.081 2.085 -6.943 1.00 0.00 N ATOM 533 CA PRO A 36 -6.154 3.066 -6.977 1.00 0.00 C ATOM 534 C PRO A 36 -5.683 4.415 -6.419 1.00 0.00 C ATOM 535 O PRO A 36 -6.227 4.911 -5.437 1.00 0.00 O ATOM 536 CB PRO A 36 -7.286 2.426 -6.166 1.00 0.00 C ATOM 537 CG PRO A 36 -6.574 1.487 -5.192 1.00 0.00 C ATOM 538 CD PRO A 36 -5.283 1.102 -5.903 1.00 0.00 C ATOM 0 HA PRO A 36 -6.491 3.300 -7.987 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.870 3.179 -5.637 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.977 1.881 -6.810 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.371 1.981 -4.242 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.182 0.610 -4.971 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.444 1.095 -5.207 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.356 0.100 -6.325 1.00 0.00 H new ATOM 546 N TYR A 37 -4.670 5.012 -7.052 1.00 0.00 N ATOM 547 CA TYR A 37 -4.133 6.303 -6.649 1.00 0.00 C ATOM 548 C TYR A 37 -4.955 7.449 -7.231 1.00 0.00 C ATOM 549 O TYR A 37 -5.638 7.296 -8.244 1.00 0.00 O ATOM 550 CB TYR A 37 -2.670 6.444 -7.087 1.00 0.00 C ATOM 551 CG TYR A 37 -2.399 6.324 -8.581 1.00 0.00 C ATOM 552 CD1 TYR A 37 -2.580 7.420 -9.449 1.00 0.00 C ATOM 553 CD2 TYR A 37 -2.035 5.083 -9.125 1.00 0.00 C ATOM 554 CE1 TYR A 37 -2.681 7.199 -10.838 1.00 0.00 C ATOM 555 CE2 TYR A 37 -2.129 4.861 -10.505 1.00 0.00 C ATOM 556 CZ TYR A 37 -2.565 5.889 -11.349 1.00 0.00 C ATOM 557 OH TYR A 37 -2.952 5.586 -12.621 1.00 0.00 O ATOM 0 H TYR A 37 -4.201 4.607 -7.862 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.186 6.354 -5.561 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.304 7.414 -6.749 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -2.083 5.684 -6.571 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.641 8.423 -9.053 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.681 4.295 -8.477 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.847 8.029 -11.508 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.865 3.898 -10.917 1.00 0.00 H new ATOM 0 HH TYR A 37 -3.268 4.659 -12.655 1.00 0.00 H new ATOM 567 N SER A 38 -4.811 8.633 -6.633 1.00 0.00 N ATOM 568 CA SER A 38 -5.209 9.888 -7.257 1.00 0.00 C ATOM 569 C SER A 38 -4.303 11.066 -6.857 1.00 0.00 C ATOM 570 O SER A 38 -4.601 12.199 -7.227 1.00 0.00 O ATOM 571 CB SER A 38 -6.700 10.160 -6.989 1.00 0.00 C ATOM 572 OG SER A 38 -7.325 10.662 -8.157 1.00 0.00 O ATOM 0 H SER A 38 -4.414 8.745 -5.700 1.00 0.00 H new ATOM 0 HA SER A 38 -5.076 9.787 -8.334 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.193 9.241 -6.671 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.805 10.877 -6.175 1.00 0.00 H new ATOM 0 HG SER A 38 -8.273 10.830 -7.974 1.00 0.00 H new ATOM 578 N CYS A 39 -3.189 10.818 -6.148 1.00 0.00 N ATOM 579 CA CYS A 39 -2.266 11.866 -5.716 1.00 0.00 C ATOM 580 C CYS A 39 -0.819 11.347 -5.631 1.00 0.00 C ATOM 581 O CYS A 39 -0.033 11.609 -6.545 1.00 0.00 O ATOM 582 CB CYS A 39 -2.799 12.606 -4.498 1.00 0.00 C ATOM 583 SG CYS A 39 -1.967 12.500 -2.887 1.00 0.00 S ATOM 0 H CYS A 39 -2.908 9.881 -5.861 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.209 12.641 -6.481 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.844 13.662 -4.763 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.825 12.271 -4.348 1.00 0.00 H new ATOM 588 N ARG A 40 -0.492 10.527 -4.627 1.00 0.00 N ATOM 589 CA ARG A 40 0.855 10.195 -4.167 1.00 0.00 C ATOM 590 C ARG A 40 1.536 11.372 -3.441 1.00 0.00 C ATOM 591 O ARG A 40 2.517 11.906 -3.954 1.00 0.00 O ATOM 592 CB ARG A 40 1.742 9.568 -5.268 1.00 0.00 C ATOM 593 CG ARG A 40 1.325 8.151 -5.672 1.00 0.00 C ATOM 594 CD ARG A 40 0.251 8.076 -6.763 1.00 0.00 C ATOM 595 NE ARG A 40 0.783 7.960 -8.130 1.00 0.00 N ATOM 596 CZ ARG A 40 0.822 8.888 -9.092 1.00 0.00 C ATOM 597 NH1 ARG A 40 0.533 10.174 -8.827 1.00 0.00 N ATOM 598 NH2 ARG A 40 1.148 8.479 -10.329 1.00 0.00 N ATOM 0 H ARG A 40 -1.209 10.048 -4.081 1.00 0.00 H new ATOM 0 HA ARG A 40 0.729 9.410 -3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.716 10.209 -6.150 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.775 9.546 -4.920 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.208 7.613 -6.016 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.959 7.630 -4.787 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.394 7.220 -6.563 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.374 8.967 -6.703 1.00 0.00 H new ATOM 0 HE ARG A 40 1.174 7.051 -8.377 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.279 10.455 -7.880 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.568 10.869 -9.573 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.353 7.495 -10.503 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.190 9.152 -11.094 1.00 0.00 H new ATOM 612 N ALA A 41 1.057 11.715 -2.233 1.00 0.00 N ATOM 613 CA ALA A 41 1.625 12.674 -1.276 1.00 0.00 C ATOM 614 C ALA A 41 0.684 12.891 -0.072 1.00 0.00 C ATOM 615 O ALA A 41 0.104 13.968 0.064 1.00 0.00 O ATOM 616 CB ALA A 41 1.919 14.026 -1.950 1.00 0.00 C ATOM 0 H ALA A 41 0.198 11.297 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 41 2.562 12.248 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.338 14.715 -1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.633 13.881 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.994 14.442 -2.351 1.00 0.00 H new ATOM 622 N GLY A 42 0.555 11.918 0.840 1.00 0.00 N ATOM 623 CA GLY A 42 -0.182 12.065 2.084 1.00 0.00 C ATOM 624 C GLY A 42 -1.604 12.639 1.977 1.00 0.00 C ATOM 625 O GLY A 42 -2.557 11.887 1.819 1.00 0.00 O ATOM 0 H GLY A 42 0.970 10.994 0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.244 11.087 2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.396 12.707 2.749 1.00 0.00 H new ATOM 629 N SER A 43 -1.781 13.937 2.236 1.00 0.00 N ATOM 630 CA SER A 43 -3.034 14.505 2.743 1.00 0.00 C ATOM 631 C SER A 43 -4.171 14.553 1.706 1.00 0.00 C ATOM 632 O SER A 43 -4.544 15.642 1.266 1.00 0.00 O ATOM 633 CB SER A 43 -2.735 15.901 3.316 1.00 0.00 C ATOM 634 OG SER A 43 -3.916 16.542 3.759 1.00 0.00 O ATOM 0 H SER A 43 -1.048 14.633 2.098 1.00 0.00 H new ATOM 0 HA SER A 43 -3.408 13.841 3.522 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.034 15.813 4.146 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.251 16.512 2.554 1.00 0.00 H new ATOM 0 HG SER A 43 -4.550 16.609 3.015 1.00 0.00 H new ATOM 640 N CYS A 44 -4.762 13.402 1.379 1.00 0.00 N ATOM 641 CA CYS A 44 -5.745 13.230 0.315 1.00 0.00 C ATOM 642 C CYS A 44 -6.905 12.323 0.762 1.00 0.00 C ATOM 643 O CYS A 44 -7.235 12.265 1.947 1.00 0.00 O ATOM 644 CB CYS A 44 -5.001 12.619 -0.837 1.00 0.00 C ATOM 645 SG CYS A 44 -4.607 10.891 -0.500 1.00 0.00 S ATOM 0 H CYS A 44 -4.559 12.531 1.870 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.196 14.184 0.041 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.603 12.690 -1.743 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.083 13.177 -1.020 1.00 0.00 H new ATOM 650 N SER A 45 -7.532 11.617 -0.190 1.00 0.00 N ATOM 651 CA SER A 45 -8.508 10.570 0.053 1.00 0.00 C ATOM 652 C SER A 45 -8.567 9.644 -1.174 1.00 0.00 C ATOM 653 O SER A 45 -9.573 9.623 -1.879 1.00 0.00 O ATOM 654 CB SER A 45 -9.866 11.214 0.390 1.00 0.00 C ATOM 655 OG SER A 45 -10.692 10.324 1.117 1.00 0.00 O ATOM 0 H SER A 45 -7.360 11.773 -1.183 1.00 0.00 H new ATOM 0 HA SER A 45 -8.224 9.955 0.907 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.706 12.122 0.972 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.369 11.510 -0.531 1.00 0.00 H new ATOM 0 HG SER A 45 -11.546 10.761 1.318 1.00 0.00 H new ATOM 661 N SER A 46 -7.487 8.906 -1.473 1.00 0.00 N ATOM 662 CA SER A 46 -7.467 7.920 -2.559 1.00 0.00 C ATOM 663 C SER A 46 -6.360 6.886 -2.332 1.00 0.00 C ATOM 664 O SER A 46 -5.425 6.800 -3.127 1.00 0.00 O ATOM 665 CB SER A 46 -7.266 8.598 -3.923 1.00 0.00 C ATOM 666 OG SER A 46 -8.304 9.505 -4.243 1.00 0.00 O ATOM 0 H SER A 46 -6.604 8.978 -0.967 1.00 0.00 H new ATOM 0 HA SER A 46 -8.433 7.416 -2.560 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.314 9.128 -3.923 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.206 7.834 -4.698 1.00 0.00 H new ATOM 0 HG SER A 46 -9.003 9.457 -3.558 1.00 0.00 H new ATOM 672 N CYS A 47 -6.445 6.118 -1.246 1.00 0.00 N ATOM 673 CA CYS A 47 -5.344 5.275 -0.796 1.00 0.00 C ATOM 674 C CYS A 47 -5.897 3.942 -0.276 1.00 0.00 C ATOM 675 O CYS A 47 -6.947 3.473 -0.712 1.00 0.00 O ATOM 676 CB CYS A 47 -4.559 6.006 0.283 1.00 0.00 C ATOM 677 SG CYS A 47 -4.285 7.783 0.107 1.00 0.00 S ATOM 0 H CYS A 47 -7.276 6.064 -0.657 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.671 5.062 -1.626 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.071 5.843 1.231 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.583 5.528 0.362 1.00 0.00 H new ATOM 682 N ALA A 48 -5.198 3.382 0.717 1.00 0.00 N ATOM 683 CA ALA A 48 -5.685 2.412 1.677 1.00 0.00 C ATOM 684 C ALA A 48 -5.685 0.986 1.142 1.00 0.00 C ATOM 685 O ALA A 48 -6.260 0.671 0.097 1.00 0.00 O ATOM 686 CB ALA A 48 -7.037 2.817 2.255 1.00 0.00 C ATOM 0 H ALA A 48 -4.217 3.615 0.873 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.971 2.414 2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.367 2.064 2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.944 3.779 2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.767 2.898 1.450 1.00 0.00 H new ATOM 692 N GLY A 49 -5.050 0.112 1.919 1.00 0.00 N ATOM 693 CA GLY A 49 -4.995 -1.309 1.713 1.00 0.00 C ATOM 694 C GLY A 49 -4.914 -2.022 3.053 1.00 0.00 C ATOM 695 O GLY A 49 -4.512 -1.408 4.036 1.00 0.00 O ATOM 0 H GLY A 49 -4.537 0.405 2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.878 -1.641 1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.129 -1.564 1.102 1.00 0.00 H new ATOM 699 N LYS A 50 -5.308 -3.296 3.106 1.00 0.00 N ATOM 700 CA LYS A 50 -5.332 -4.106 4.308 1.00 0.00 C ATOM 701 C LYS A 50 -4.022 -4.877 4.443 1.00 0.00 C ATOM 702 O LYS A 50 -3.769 -5.776 3.653 1.00 0.00 O ATOM 703 CB LYS A 50 -6.527 -5.060 4.212 1.00 0.00 C ATOM 704 CG LYS A 50 -6.995 -5.528 5.594 1.00 0.00 C ATOM 705 CD LYS A 50 -8.522 -5.578 5.641 1.00 0.00 C ATOM 706 CE LYS A 50 -8.987 -5.401 7.096 1.00 0.00 C ATOM 707 NZ LYS A 50 -10.456 -5.261 7.199 1.00 0.00 N ATOM 0 H LYS A 50 -5.629 -3.802 2.280 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.437 -3.479 5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.350 -4.561 3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.253 -5.926 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.584 -6.514 5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.622 -4.851 6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.943 -4.793 5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.879 -6.529 5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.663 -6.258 7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.509 -4.520 7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.794 -5.761 8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.705 -4.254 7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.904 -5.670 6.354 1.00 0.00 H new ATOM 721 N VAL A 51 -3.192 -4.538 5.423 1.00 0.00 N ATOM 722 CA VAL A 51 -1.995 -5.285 5.774 1.00 0.00 C ATOM 723 C VAL A 51 -2.413 -6.703 6.167 1.00 0.00 C ATOM 724 O VAL A 51 -3.042 -6.897 7.206 1.00 0.00 O ATOM 725 CB VAL A 51 -1.273 -4.583 6.951 1.00 0.00 C ATOM 726 CG1 VAL A 51 0.017 -5.316 7.342 1.00 0.00 C ATOM 727 CG2 VAL A 51 -0.923 -3.122 6.643 1.00 0.00 C ATOM 0 H VAL A 51 -3.339 -3.716 6.008 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.308 -5.329 4.929 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.981 -4.609 7.780 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.495 -4.794 8.171 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.221 -6.336 7.645 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.695 -5.340 6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.419 -2.680 7.502 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.265 -3.081 5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.836 -2.566 6.432 1.00 0.00 H new ATOM 737 N VAL A 52 -2.070 -7.695 5.344 1.00 0.00 N ATOM 738 CA VAL A 52 -2.355 -9.092 5.644 1.00 0.00 C ATOM 739 C VAL A 52 -1.239 -9.669 6.514 1.00 0.00 C ATOM 740 O VAL A 52 -1.508 -10.418 7.451 1.00 0.00 O ATOM 741 CB VAL A 52 -2.517 -9.875 4.337 1.00 0.00 C ATOM 742 CG1 VAL A 52 -2.746 -11.374 4.578 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.686 -9.316 3.522 1.00 0.00 C ATOM 0 H VAL A 52 -1.589 -7.550 4.456 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.288 -9.172 6.201 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.584 -9.759 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.855 -11.884 3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.894 -11.790 5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.652 -11.513 5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.788 -9.883 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.606 -9.398 4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.498 -8.268 3.287 1.00 0.00 H new ATOM 753 N SER A 53 0.021 -9.354 6.198 1.00 0.00 N ATOM 754 CA SER A 53 1.163 -9.828 6.970 1.00 0.00 C ATOM 755 C SER A 53 2.351 -8.896 6.744 1.00 0.00 C ATOM 756 O SER A 53 2.187 -7.827 6.163 1.00 0.00 O ATOM 757 CB SER A 53 1.498 -11.275 6.582 1.00 0.00 C ATOM 758 OG SER A 53 2.417 -11.830 7.508 1.00 0.00 O ATOM 0 H SER A 53 0.272 -8.766 5.403 1.00 0.00 H new ATOM 0 HA SER A 53 0.920 -9.820 8.033 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.587 -11.873 6.559 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.922 -11.301 5.578 1.00 0.00 H new ATOM 0 HG SER A 53 2.622 -12.753 7.252 1.00 0.00 H new ATOM 764 N GLY A 54 3.541 -9.317 7.174 1.00 0.00 N ATOM 765 CA GLY A 54 4.760 -8.522 7.106 1.00 0.00 C ATOM 766 C GLY A 54 4.593 -7.172 7.806 1.00 0.00 C ATOM 767 O GLY A 54 3.778 -7.028 8.718 1.00 0.00 O ATOM 0 H GLY A 54 3.684 -10.239 7.587 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.580 -9.072 7.567 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.032 -8.360 6.063 1.00 0.00 H new ATOM 771 N SER A 55 5.365 -6.168 7.386 1.00 0.00 N ATOM 772 CA SER A 55 5.220 -4.790 7.811 1.00 0.00 C ATOM 773 C SER A 55 5.852 -3.908 6.740 1.00 0.00 C ATOM 774 O SER A 55 6.747 -4.370 6.024 1.00 0.00 O ATOM 775 CB SER A 55 5.938 -4.554 9.141 1.00 0.00 C ATOM 776 OG SER A 55 5.577 -5.510 10.120 1.00 0.00 O ATOM 0 H SER A 55 6.127 -6.304 6.722 1.00 0.00 H new ATOM 0 HA SER A 55 4.164 -4.556 7.947 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.016 -4.589 8.981 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.702 -3.555 9.507 1.00 0.00 H new ATOM 0 HG SER A 55 6.059 -5.324 10.953 1.00 0.00 H new ATOM 782 N ILE A 56 5.398 -2.656 6.658 1.00 0.00 N ATOM 783 CA ILE A 56 5.954 -1.591 5.850 1.00 0.00 C ATOM 784 C ILE A 56 5.846 -0.315 6.685 1.00 0.00 C ATOM 785 O ILE A 56 5.120 -0.313 7.681 1.00 0.00 O ATOM 786 CB ILE A 56 5.192 -1.490 4.522 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.730 -1.055 4.666 1.00 0.00 C ATOM 788 CG2 ILE A 56 5.239 -2.821 3.773 1.00 0.00 C ATOM 789 CD1 ILE A 56 3.068 -0.975 3.281 1.00 0.00 C ATOM 0 H ILE A 56 4.583 -2.349 7.189 1.00 0.00 H new ATOM 0 HA ILE A 56 6.997 -1.772 5.588 1.00 0.00 H new ATOM 0 HB ILE A 56 5.703 -0.708 3.960 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.191 -1.763 5.296 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.677 -0.085 5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.693 -2.730 2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.276 -3.085 3.566 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.781 -3.599 4.384 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.029 -0.665 3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.599 -0.249 2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.106 -1.954 2.803 1.00 0.00 H new ATOM 801 N ASP A 57 6.537 0.753 6.283 1.00 0.00 N ATOM 802 CA ASP A 57 6.496 2.044 6.945 1.00 0.00 C ATOM 803 C ASP A 57 5.748 2.997 6.026 1.00 0.00 C ATOM 804 O ASP A 57 6.156 3.204 4.887 1.00 0.00 O ATOM 805 CB ASP A 57 7.919 2.544 7.212 1.00 0.00 C ATOM 806 CG ASP A 57 7.884 3.978 7.732 1.00 0.00 C ATOM 807 OD1 ASP A 57 7.590 4.884 6.921 1.00 0.00 O ATOM 808 OD2 ASP A 57 8.092 4.146 8.949 1.00 0.00 O ATOM 0 H ASP A 57 7.152 0.737 5.470 1.00 0.00 H new ATOM 0 HA ASP A 57 5.990 1.975 7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.409 1.897 7.940 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.507 2.496 6.296 1.00 0.00 H new ATOM 813 N GLN A 58 4.636 3.547 6.506 1.00 0.00 N ATOM 814 CA GLN A 58 3.894 4.594 5.822 1.00 0.00 C ATOM 815 C GLN A 58 4.051 5.943 6.533 1.00 0.00 C ATOM 816 O GLN A 58 3.071 6.658 6.719 1.00 0.00 O ATOM 817 CB GLN A 58 2.440 4.143 5.675 1.00 0.00 C ATOM 818 CG GLN A 58 1.888 3.623 6.996 1.00 0.00 C ATOM 819 CD GLN A 58 0.374 3.516 7.007 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.354 4.079 6.192 1.00 0.00 O ATOM 821 NE2 GLN A 58 -0.124 2.728 7.937 1.00 0.00 N ATOM 0 H GLN A 58 4.221 3.271 7.396 1.00 0.00 H new ATOM 0 HA GLN A 58 4.297 4.755 4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.831 4.977 5.327 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.374 3.362 4.918 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.317 2.642 7.202 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.205 4.285 7.802 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.497 2.270 8.604 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.131 2.575 7.991 1.00 0.00 H new ATOM 830 N SER A 59 5.280 6.319 6.905 1.00 0.00 N ATOM 831 CA SER A 59 5.535 7.534 7.676 1.00 0.00 C ATOM 832 C SER A 59 5.149 8.832 6.949 1.00 0.00 C ATOM 833 O SER A 59 5.164 9.884 7.585 1.00 0.00 O ATOM 834 CB SER A 59 7.002 7.576 8.135 1.00 0.00 C ATOM 835 OG SER A 59 7.226 8.686 8.989 1.00 0.00 O ATOM 0 H SER A 59 6.122 5.789 6.679 1.00 0.00 H new ATOM 0 HA SER A 59 4.880 7.484 8.546 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.252 6.652 8.657 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.659 7.639 7.267 1.00 0.00 H new ATOM 0 HG SER A 59 6.622 9.417 8.741 1.00 0.00 H new ATOM 841 N ASP A 60 4.835 8.786 5.648 1.00 0.00 N ATOM 842 CA ASP A 60 4.203 9.899 4.941 1.00 0.00 C ATOM 843 C ASP A 60 2.853 10.206 5.599 1.00 0.00 C ATOM 844 O ASP A 60 2.652 11.272 6.175 1.00 0.00 O ATOM 845 CB ASP A 60 4.044 9.505 3.466 1.00 0.00 C ATOM 846 CG ASP A 60 3.114 10.442 2.706 1.00 0.00 C ATOM 847 OD1 ASP A 60 3.547 11.575 2.420 1.00 0.00 O ATOM 848 OD2 ASP A 60 1.991 9.992 2.394 1.00 0.00 O ATOM 0 H ASP A 60 5.014 7.973 5.058 1.00 0.00 H new ATOM 0 HA ASP A 60 4.812 10.801 4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.023 9.503 2.987 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.658 8.488 3.405 1.00 0.00 H new ATOM 853 N GLN A 61 1.974 9.205 5.559 1.00 0.00 N ATOM 854 CA GLN A 61 0.717 9.100 6.276 1.00 0.00 C ATOM 855 C GLN A 61 -0.366 10.014 5.702 1.00 0.00 C ATOM 856 O GLN A 61 -0.324 11.230 5.873 1.00 0.00 O ATOM 857 CB GLN A 61 0.919 9.250 7.795 1.00 0.00 C ATOM 858 CG GLN A 61 -0.157 8.507 8.603 1.00 0.00 C ATOM 859 CD GLN A 61 -0.059 6.994 8.409 1.00 0.00 C ATOM 860 OE1 GLN A 61 0.875 6.359 8.886 1.00 0.00 O ATOM 861 NE2 GLN A 61 -1.011 6.401 7.693 1.00 0.00 N ATOM 0 H GLN A 61 2.142 8.385 4.976 1.00 0.00 H new ATOM 0 HA GLN A 61 0.337 8.090 6.122 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.903 8.869 8.068 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.903 10.307 8.059 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.049 8.747 9.661 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.145 8.851 8.297 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.777 6.953 7.307 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.974 5.395 7.530 1.00 0.00 H new ATOM 870 N SER A 62 -1.354 9.418 5.027 1.00 0.00 N ATOM 871 CA SER A 62 -2.367 10.159 4.307 1.00 0.00 C ATOM 872 C SER A 62 -3.490 10.597 5.232 1.00 0.00 C ATOM 873 O SER A 62 -3.520 11.738 5.690 1.00 0.00 O ATOM 874 CB SER A 62 -2.848 9.330 3.104 1.00 0.00 C ATOM 875 OG SER A 62 -3.291 8.045 3.508 1.00 0.00 O ATOM 0 H SER A 62 -1.465 8.406 4.971 1.00 0.00 H new ATOM 0 HA SER A 62 -1.941 11.082 3.914 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.659 9.855 2.599 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.037 9.227 2.383 1.00 0.00 H new ATOM 0 HG SER A 62 -3.675 7.575 2.739 1.00 0.00 H new ATOM 881 N PHE A 63 -4.425 9.689 5.499 1.00 0.00 N ATOM 882 CA PHE A 63 -5.567 9.970 6.360 1.00 0.00 C ATOM 883 C PHE A 63 -5.985 8.750 7.181 1.00 0.00 C ATOM 884 O PHE A 63 -7.022 8.803 7.835 1.00 0.00 O ATOM 885 CB PHE A 63 -6.733 10.515 5.520 1.00 0.00 C ATOM 886 CG PHE A 63 -7.317 9.498 4.563 1.00 0.00 C ATOM 887 CD1 PHE A 63 -6.676 9.238 3.340 1.00 0.00 C ATOM 888 CD2 PHE A 63 -8.370 8.668 4.989 1.00 0.00 C ATOM 889 CE1 PHE A 63 -7.026 8.104 2.592 1.00 0.00 C ATOM 890 CE2 PHE A 63 -8.760 7.570 4.207 1.00 0.00 C ATOM 891 CZ PHE A 63 -8.105 7.302 2.993 1.00 0.00 C ATOM 0 H PHE A 63 -4.411 8.740 5.125 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.269 10.733 7.080 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.519 10.866 6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.388 11.379 4.953 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.914 9.911 2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.879 8.876 5.919 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.464 7.848 1.706 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.564 6.930 4.539 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.431 6.482 2.371 1.00 0.00 H new ATOM 901 N LEU A 64 -5.206 7.659 7.173 1.00 0.00 N ATOM 902 CA LEU A 64 -5.534 6.535 8.033 1.00 0.00 C ATOM 903 C LEU A 64 -5.330 6.941 9.488 1.00 0.00 C ATOM 904 O LEU A 64 -4.364 7.639 9.801 1.00 0.00 O ATOM 905 CB LEU A 64 -4.697 5.288 7.747 1.00 0.00 C ATOM 906 CG LEU A 64 -5.105 4.547 6.472 1.00 0.00 C ATOM 907 CD1 LEU A 64 -4.616 5.243 5.197 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.523 3.139 6.570 1.00 0.00 C ATOM 0 H LEU A 64 -4.372 7.540 6.597 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.574 6.278 7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.649 5.576 7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.778 4.606 8.594 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.192 4.529 6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.935 4.672 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.037 6.247 5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.528 5.306 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.790 2.572 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.438 3.199 6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.925 2.640 7.451 1.00 0.00 H new ATOM 920 N ASP A 65 -6.207 6.454 10.362 1.00 0.00 N ATOM 921 CA ASP A 65 -6.102 6.658 11.801 1.00 0.00 C ATOM 922 C ASP A 65 -5.368 5.481 12.434 1.00 0.00 C ATOM 923 O ASP A 65 -5.186 4.429 11.813 1.00 0.00 O ATOM 924 CB ASP A 65 -7.489 6.847 12.427 1.00 0.00 C ATOM 925 CG ASP A 65 -8.068 8.223 12.132 1.00 0.00 C ATOM 926 OD1 ASP A 65 -7.480 9.202 12.641 1.00 0.00 O ATOM 927 OD2 ASP A 65 -9.095 8.272 11.421 1.00 0.00 O ATOM 0 H ASP A 65 -7.019 5.901 10.086 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.531 7.567 11.990 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.165 6.081 12.047 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.422 6.706 13.506 1.00 0.00 H new ATOM 932 N ASP A 66 -4.971 5.661 13.696 1.00 0.00 N ATOM 933 CA ASP A 66 -4.264 4.657 14.477 1.00 0.00 C ATOM 934 C ASP A 66 -5.088 3.379 14.504 1.00 0.00 C ATOM 935 O ASP A 66 -4.550 2.287 14.345 1.00 0.00 O ATOM 936 CB ASP A 66 -4.016 5.162 15.905 1.00 0.00 C ATOM 937 CG ASP A 66 -2.965 6.259 15.951 1.00 0.00 C ATOM 938 OD1 ASP A 66 -1.790 5.933 15.680 1.00 0.00 O ATOM 939 OD2 ASP A 66 -3.359 7.405 16.257 1.00 0.00 O ATOM 0 H ASP A 66 -5.138 6.527 14.209 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.296 4.457 14.017 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.950 5.538 16.323 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.698 4.330 16.533 1.00 0.00 H new ATOM 944 N GLU A 67 -6.403 3.535 14.676 1.00 0.00 N ATOM 945 CA GLU A 67 -7.349 2.439 14.700 1.00 0.00 C ATOM 946 C GLU A 67 -7.166 1.581 13.456 1.00 0.00 C ATOM 947 O GLU A 67 -6.869 0.401 13.553 1.00 0.00 O ATOM 948 CB GLU A 67 -8.791 2.962 14.783 1.00 0.00 C ATOM 949 CG GLU A 67 -8.934 4.325 15.457 1.00 0.00 C ATOM 950 CD GLU A 67 -10.372 4.564 15.908 1.00 0.00 C ATOM 951 OE1 GLU A 67 -11.274 4.220 15.114 1.00 0.00 O ATOM 952 OE2 GLU A 67 -10.540 5.057 17.044 1.00 0.00 O ATOM 0 H GLU A 67 -6.839 4.448 14.804 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.161 1.833 15.586 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.199 3.025 13.774 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.396 2.237 15.327 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.266 4.382 16.316 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.631 5.111 14.765 1.00 0.00 H new ATOM 959 N GLN A 68 -7.346 2.183 12.279 1.00 0.00 N ATOM 960 CA GLN A 68 -7.210 1.510 11.005 1.00 0.00 C ATOM 961 C GLN A 68 -5.839 0.843 10.881 1.00 0.00 C ATOM 962 O GLN A 68 -5.754 -0.338 10.540 1.00 0.00 O ATOM 963 CB GLN A 68 -7.461 2.527 9.898 1.00 0.00 C ATOM 964 CG GLN A 68 -8.911 3.006 9.978 1.00 0.00 C ATOM 965 CD GLN A 68 -9.136 4.262 9.169 1.00 0.00 C ATOM 966 OE1 GLN A 68 -8.217 5.032 8.928 1.00 0.00 O ATOM 967 NE2 GLN A 68 -10.364 4.470 8.735 1.00 0.00 N ATOM 0 H GLN A 68 -7.594 3.169 12.193 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.944 0.709 10.921 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.780 3.372 10.002 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.266 2.078 8.924 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.574 2.219 9.618 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.174 3.193 11.019 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.103 3.803 8.958 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.574 5.297 8.177 1.00 0.00 H new ATOM 976 N MET A 69 -4.758 1.577 11.151 1.00 0.00 N ATOM 977 CA MET A 69 -3.436 0.978 11.137 1.00 0.00 C ATOM 978 C MET A 69 -3.367 -0.291 11.992 1.00 0.00 C ATOM 979 O MET A 69 -3.105 -1.373 11.463 1.00 0.00 O ATOM 980 CB MET A 69 -2.388 2.011 11.537 1.00 0.00 C ATOM 981 CG MET A 69 -2.333 3.126 10.495 1.00 0.00 C ATOM 982 SD MET A 69 -0.896 4.214 10.623 1.00 0.00 S ATOM 983 CE MET A 69 -1.717 5.712 11.177 1.00 0.00 C ATOM 0 H MET A 69 -4.777 2.571 11.378 1.00 0.00 H new ATOM 0 HA MET A 69 -3.217 0.657 10.119 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.630 2.427 12.515 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.411 1.535 11.625 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.343 2.677 9.502 1.00 0.00 H new ATOM 0 HG3 MET A 69 -3.237 3.729 10.581 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.979 6.503 11.311 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.450 6.022 10.432 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.221 5.521 12.124 1.00 0.00 H new ATOM 993 N ASP A 70 -3.651 -0.167 13.288 1.00 0.00 N ATOM 994 CA ASP A 70 -3.616 -1.270 14.247 1.00 0.00 C ATOM 995 C ASP A 70 -4.507 -2.420 13.774 1.00 0.00 C ATOM 996 O ASP A 70 -4.132 -3.591 13.802 1.00 0.00 O ATOM 997 CB ASP A 70 -4.095 -0.763 15.612 1.00 0.00 C ATOM 998 CG ASP A 70 -3.980 -1.859 16.661 1.00 0.00 C ATOM 999 OD1 ASP A 70 -2.843 -2.076 17.131 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -5.030 -2.462 16.969 1.00 0.00 O ATOM 0 H ASP A 70 -3.918 0.723 13.709 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.594 -1.641 14.330 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.502 0.100 15.914 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.130 -0.429 15.539 1.00 0.00 H new ATOM 1005 N ALA A 71 -5.689 -2.046 13.286 1.00 0.00 N ATOM 1006 CA ALA A 71 -6.720 -2.941 12.789 1.00 0.00 C ATOM 1007 C ALA A 71 -6.247 -3.729 11.567 1.00 0.00 C ATOM 1008 O ALA A 71 -6.802 -4.787 11.273 1.00 0.00 O ATOM 1009 CB ALA A 71 -7.967 -2.122 12.455 1.00 0.00 C ATOM 0 H ALA A 71 -5.961 -1.065 13.226 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.953 -3.671 13.564 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.748 -2.784 12.081 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.321 -1.615 13.353 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.723 -1.382 11.693 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.244 -3.219 10.847 1.00 0.00 N ATOM 1016 CA GLY A 72 -4.561 -3.936 9.794 1.00 0.00 C ATOM 1017 C GLY A 72 -4.665 -3.194 8.474 1.00 0.00 C ATOM 1018 O GLY A 72 -4.772 -3.849 7.447 1.00 0.00 O ATOM 0 H GLY A 72 -4.885 -2.275 10.992 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.512 -4.067 10.060 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.990 -4.932 9.690 1.00 0.00 H new ATOM 1022 N TYR A 73 -4.644 -1.857 8.460 1.00 0.00 N ATOM 1023 CA TYR A 73 -4.670 -1.073 7.227 1.00 0.00 C ATOM 1024 C TYR A 73 -3.396 -0.243 7.024 1.00 0.00 C ATOM 1025 O TYR A 73 -2.632 -0.015 7.956 1.00 0.00 O ATOM 1026 CB TYR A 73 -5.924 -0.211 7.197 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.187 -1.036 7.088 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.559 -1.557 5.837 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -8.046 -1.194 8.190 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -8.837 -2.104 5.658 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.327 -1.738 8.006 1.00 0.00 C ATOM 1032 CZ TYR A 73 -9.758 -2.101 6.719 1.00 0.00 C ATOM 1033 OH TYR A 73 -10.980 -2.684 6.552 1.00 0.00 O ATOM 0 H TYR A 73 -4.608 -1.290 9.307 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.700 -1.767 6.387 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.966 0.396 8.101 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.869 0.477 6.354 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.860 -1.536 5.014 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.721 -0.897 9.176 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.114 -2.528 4.704 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.981 -1.877 8.854 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.636 -2.002 6.297 1.00 0.00 H new ATOM 1043 N VAL A 74 -3.151 0.203 5.789 1.00 0.00 N ATOM 1044 CA VAL A 74 -1.963 0.952 5.405 1.00 0.00 C ATOM 1045 C VAL A 74 -2.250 1.692 4.102 1.00 0.00 C ATOM 1046 O VAL A 74 -2.994 1.170 3.276 1.00 0.00 O ATOM 1047 CB VAL A 74 -0.790 -0.031 5.264 1.00 0.00 C ATOM 1048 CG1 VAL A 74 -0.871 -0.909 4.009 1.00 0.00 C ATOM 1049 CG2 VAL A 74 0.564 0.656 5.339 1.00 0.00 C ATOM 0 H VAL A 74 -3.793 0.046 5.012 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.697 1.692 6.160 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.885 -0.692 6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.010 -1.577 3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.787 -1.499 4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.873 -0.276 3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.355 -0.086 5.234 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.645 1.389 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.664 1.159 6.301 1.00 0.00 H new ATOM 1059 N LEU A 75 -1.697 2.888 3.887 1.00 0.00 N ATOM 1060 CA LEU A 75 -1.795 3.533 2.576 1.00 0.00 C ATOM 1061 C LEU A 75 -0.936 2.797 1.538 1.00 0.00 C ATOM 1062 O LEU A 75 -0.106 1.964 1.900 1.00 0.00 O ATOM 1063 CB LEU A 75 -1.484 5.026 2.682 1.00 0.00 C ATOM 1064 CG LEU A 75 -0.047 5.326 3.123 1.00 0.00 C ATOM 1065 CD1 LEU A 75 0.890 5.506 1.935 1.00 0.00 C ATOM 1066 CD2 LEU A 75 -0.036 6.629 3.914 1.00 0.00 C ATOM 0 H LEU A 75 -1.185 3.421 4.590 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.822 3.463 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.663 5.495 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.175 5.483 3.391 1.00 0.00 H new ATOM 0 HG LEU A 75 0.296 4.481 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.897 5.717 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.901 4.594 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.543 6.337 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.982 6.852 4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.405 7.439 3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.677 6.528 4.790 1.00 0.00 H new ATOM 1078 N THR A 76 -1.143 3.079 0.244 1.00 0.00 N ATOM 1079 CA THR A 76 -0.520 2.331 -0.850 1.00 0.00 C ATOM 1080 C THR A 76 0.031 3.284 -1.919 1.00 0.00 C ATOM 1081 O THR A 76 -0.101 3.038 -3.113 1.00 0.00 O ATOM 1082 CB THR A 76 -1.531 1.313 -1.411 1.00 0.00 C ATOM 1083 OG1 THR A 76 -2.778 1.909 -1.708 1.00 0.00 O ATOM 1084 CG2 THR A 76 -1.789 0.176 -0.421 1.00 0.00 C ATOM 0 H THR A 76 -1.750 3.836 -0.071 1.00 0.00 H new ATOM 0 HA THR A 76 0.338 1.772 -0.477 1.00 0.00 H new ATOM 0 HB THR A 76 -1.081 0.926 -2.325 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.389 1.230 -2.063 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.507 -0.524 -0.849 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.854 -0.345 -0.213 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.190 0.585 0.506 1.00 0.00 H new ATOM 1092 N CYS A 77 0.660 4.370 -1.463 1.00 0.00 N ATOM 1093 CA CYS A 77 1.006 5.525 -2.280 1.00 0.00 C ATOM 1094 C CYS A 77 2.417 6.006 -1.946 1.00 0.00 C ATOM 1095 O CYS A 77 3.265 6.152 -2.824 1.00 0.00 O ATOM 1096 CB CYS A 77 0.008 6.610 -1.987 1.00 0.00 C ATOM 1097 SG CYS A 77 -1.696 6.228 -2.441 1.00 0.00 S ATOM 0 H CYS A 77 0.948 4.468 -0.489 1.00 0.00 H new ATOM 0 HA CYS A 77 0.982 5.261 -3.337 1.00 0.00 H new ATOM 0 HB2 CYS A 77 0.042 6.835 -0.921 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.313 7.514 -2.513 1.00 0.00 H new ATOM 1102 N HIS A 78 2.659 6.268 -0.660 1.00 0.00 N ATOM 1103 CA HIS A 78 3.946 6.632 -0.090 1.00 0.00 C ATOM 1104 C HIS A 78 4.249 5.726 1.108 1.00 0.00 C ATOM 1105 O HIS A 78 4.449 6.192 2.228 1.00 0.00 O ATOM 1106 CB HIS A 78 3.954 8.116 0.294 1.00 0.00 C ATOM 1107 CG HIS A 78 4.218 9.073 -0.839 1.00 0.00 C ATOM 1108 ND1 HIS A 78 4.205 8.781 -2.185 1.00 0.00 N ATOM 1109 CD2 HIS A 78 4.753 10.325 -0.692 1.00 0.00 C ATOM 1110 CE1 HIS A 78 4.714 9.846 -2.829 1.00 0.00 C ATOM 1111 NE2 HIS A 78 5.083 10.804 -1.962 1.00 0.00 N ATOM 0 H HIS A 78 1.921 6.228 0.043 1.00 0.00 H new ATOM 0 HA HIS A 78 4.734 6.486 -0.829 1.00 0.00 H new ATOM 0 HB2 HIS A 78 2.991 8.364 0.740 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.711 8.271 1.063 1.00 0.00 H new ATOM 0 HD1 HIS A 78 3.871 7.918 -2.613 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.895 10.850 0.241 1.00 0.00 H new ATOM 0 HE1 HIS A 78 4.813 9.921 -3.902 1.00 0.00 H new ATOM 1119 N ALA A 79 4.270 4.413 0.870 1.00 0.00 N ATOM 1120 CA ALA A 79 4.640 3.420 1.870 1.00 0.00 C ATOM 1121 C ALA A 79 5.911 2.719 1.403 1.00 0.00 C ATOM 1122 O ALA A 79 6.018 2.415 0.222 1.00 0.00 O ATOM 1123 CB ALA A 79 3.491 2.430 2.065 1.00 0.00 C ATOM 0 H ALA A 79 4.027 4.009 -0.034 1.00 0.00 H new ATOM 0 HA ALA A 79 4.831 3.894 2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.772 1.689 2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.602 2.965 2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.278 1.929 1.121 1.00 0.00 H new ATOM 1129 N TYR A 80 6.856 2.479 2.308 1.00 0.00 N ATOM 1130 CA TYR A 80 8.154 1.865 2.053 1.00 0.00 C ATOM 1131 C TYR A 80 8.150 0.433 2.592 1.00 0.00 C ATOM 1132 O TYR A 80 7.920 0.240 3.789 1.00 0.00 O ATOM 1133 CB TYR A 80 9.224 2.672 2.795 1.00 0.00 C ATOM 1134 CG TYR A 80 9.497 4.038 2.203 1.00 0.00 C ATOM 1135 CD1 TYR A 80 10.080 4.134 0.927 1.00 0.00 C ATOM 1136 CD2 TYR A 80 9.236 5.204 2.943 1.00 0.00 C ATOM 1137 CE1 TYR A 80 10.411 5.390 0.397 1.00 0.00 C ATOM 1138 CE2 TYR A 80 9.598 6.461 2.424 1.00 0.00 C ATOM 1139 CZ TYR A 80 10.202 6.550 1.158 1.00 0.00 C ATOM 1140 OH TYR A 80 10.517 7.767 0.629 1.00 0.00 O ATOM 0 H TYR A 80 6.729 2.721 3.291 1.00 0.00 H new ATOM 0 HA TYR A 80 8.359 1.852 0.983 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.915 2.794 3.833 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.152 2.101 2.804 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.273 3.239 0.354 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.758 5.135 3.909 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.827 5.464 -0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.412 7.357 2.998 1.00 0.00 H new ATOM 0 HH TYR A 80 9.746 8.120 0.138 1.00 0.00 H new ATOM 1150 N PRO A 81 8.382 -0.573 1.735 1.00 0.00 N ATOM 1151 CA PRO A 81 8.324 -1.967 2.130 1.00 0.00 C ATOM 1152 C PRO A 81 9.548 -2.384 2.937 1.00 0.00 C ATOM 1153 O PRO A 81 10.654 -2.400 2.410 1.00 0.00 O ATOM 1154 CB PRO A 81 8.183 -2.779 0.846 1.00 0.00 C ATOM 1155 CG PRO A 81 8.562 -1.828 -0.285 1.00 0.00 C ATOM 1156 CD PRO A 81 8.566 -0.428 0.304 1.00 0.00 C ATOM 0 HA PRO A 81 7.475 -2.143 2.791 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.837 -3.651 0.860 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.164 -3.146 0.724 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.542 -2.080 -0.690 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.849 -1.900 -1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.505 0.081 0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.768 0.175 -0.129 1.00 0.00 H new ATOM 1164 N THR A 82 9.362 -2.761 4.204 1.00 0.00 N ATOM 1165 CA THR A 82 10.469 -3.100 5.084 1.00 0.00 C ATOM 1166 C THR A 82 10.803 -4.595 5.012 1.00 0.00 C ATOM 1167 O THR A 82 11.873 -5.006 5.458 1.00 0.00 O ATOM 1168 CB THR A 82 10.144 -2.610 6.505 1.00 0.00 C ATOM 1169 OG1 THR A 82 8.842 -2.984 6.916 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.203 -1.081 6.563 1.00 0.00 C ATOM 0 H THR A 82 8.444 -2.838 4.641 1.00 0.00 H new ATOM 0 HA THR A 82 11.376 -2.592 4.757 1.00 0.00 H new ATOM 0 HB THR A 82 10.883 -3.069 7.162 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.532 -3.739 6.374 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.971 -0.746 7.574 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.203 -0.745 6.290 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.477 -0.662 5.866 1.00 0.00 H new ATOM 1178 N SER A 83 9.905 -5.417 4.455 1.00 0.00 N ATOM 1179 CA SER A 83 10.105 -6.840 4.221 1.00 0.00 C ATOM 1180 C SER A 83 9.133 -7.295 3.125 1.00 0.00 C ATOM 1181 O SER A 83 8.383 -6.478 2.589 1.00 0.00 O ATOM 1182 CB SER A 83 9.889 -7.631 5.523 1.00 0.00 C ATOM 1183 OG SER A 83 10.826 -7.277 6.522 1.00 0.00 O ATOM 0 H SER A 83 8.989 -5.091 4.146 1.00 0.00 H new ATOM 0 HA SER A 83 11.127 -7.027 3.893 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.880 -7.451 5.893 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.967 -8.698 5.316 1.00 0.00 H new ATOM 0 HG SER A 83 11.387 -6.542 6.198 1.00 0.00 H new ATOM 1189 N ASP A 84 9.133 -8.592 2.812 1.00 0.00 N ATOM 1190 CA ASP A 84 8.152 -9.274 1.980 1.00 0.00 C ATOM 1191 C ASP A 84 6.778 -9.236 2.655 1.00 0.00 C ATOM 1192 O ASP A 84 6.359 -10.151 3.358 1.00 0.00 O ATOM 1193 CB ASP A 84 8.603 -10.710 1.708 1.00 0.00 C ATOM 1194 CG ASP A 84 8.997 -11.505 2.953 1.00 0.00 C ATOM 1195 OD1 ASP A 84 9.771 -10.937 3.761 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.571 -12.676 3.046 1.00 0.00 O ATOM 0 H ASP A 84 9.857 -9.224 3.152 1.00 0.00 H new ATOM 0 HA ASP A 84 8.070 -8.762 1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.798 -11.238 1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.453 -10.686 1.026 1.00 0.00 H new ATOM 1201 N VAL A 85 6.080 -8.131 2.432 1.00 0.00 N ATOM 1202 CA VAL A 85 4.754 -7.864 2.967 1.00 0.00 C ATOM 1203 C VAL A 85 3.668 -8.459 2.064 1.00 0.00 C ATOM 1204 O VAL A 85 3.855 -8.625 0.857 1.00 0.00 O ATOM 1205 CB VAL A 85 4.572 -6.347 3.201 1.00 0.00 C ATOM 1206 CG1 VAL A 85 5.059 -5.545 1.992 1.00 0.00 C ATOM 1207 CG2 VAL A 85 3.115 -5.958 3.490 1.00 0.00 C ATOM 0 H VAL A 85 6.435 -7.370 1.853 1.00 0.00 H new ATOM 0 HA VAL A 85 4.652 -8.356 3.934 1.00 0.00 H new ATOM 0 HB VAL A 85 5.171 -6.109 4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.920 -4.481 2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.116 -5.748 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.488 -5.834 1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.050 -4.881 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.488 -6.241 2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.771 -6.475 4.386 1.00 0.00 H new ATOM 1217 N VAL A 86 2.506 -8.735 2.662 1.00 0.00 N ATOM 1218 CA VAL A 86 1.284 -9.067 1.956 1.00 0.00 C ATOM 1219 C VAL A 86 0.263 -8.024 2.392 1.00 0.00 C ATOM 1220 O VAL A 86 0.056 -7.844 3.594 1.00 0.00 O ATOM 1221 CB VAL A 86 0.822 -10.486 2.327 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.422 -10.897 1.527 1.00 0.00 C ATOM 1223 CG2 VAL A 86 1.935 -11.511 2.064 1.00 0.00 C ATOM 0 H VAL A 86 2.395 -8.731 3.676 1.00 0.00 H new ATOM 0 HA VAL A 86 1.420 -9.057 0.875 1.00 0.00 H new ATOM 0 HB VAL A 86 0.578 -10.472 3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.722 -11.905 1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.236 -10.203 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.193 -10.876 0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.584 -12.507 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.202 -11.495 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.810 -11.260 2.663 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.346 -7.326 1.435 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.364 -6.324 1.672 1.00 0.00 C ATOM 1235 C ILE A 87 -2.453 -6.470 0.604 1.00 0.00 C ATOM 1236 O ILE A 87 -2.160 -6.929 -0.496 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.691 -4.935 1.717 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.665 -3.753 1.693 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.395 -4.734 0.660 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -1.919 -3.328 0.252 1.00 0.00 C ATOM 0 H ILE A 87 -0.133 -7.452 0.446 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.859 -6.454 2.634 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.211 -4.940 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.604 -4.033 2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.254 -2.919 2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.818 -3.734 0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.181 -5.476 0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.039 -4.848 -0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.612 -2.487 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.978 -3.031 -0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.349 -4.162 -0.303 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.693 -6.070 0.900 1.00 0.00 N ATOM 1253 CA GLU A 88 -4.772 -5.960 -0.080 1.00 0.00 C ATOM 1254 C GLU A 88 -4.960 -4.503 -0.478 1.00 0.00 C ATOM 1255 O GLU A 88 -5.117 -3.687 0.419 1.00 0.00 O ATOM 1256 CB GLU A 88 -6.098 -6.450 0.506 1.00 0.00 C ATOM 1257 CG GLU A 88 -6.078 -7.732 1.335 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.419 -7.979 2.026 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.350 -7.167 1.809 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.491 -8.965 2.788 1.00 0.00 O ATOM 0 H GLU A 88 -3.978 -5.810 1.844 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.498 -6.571 -0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.503 -5.654 1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.796 -6.595 -0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.839 -8.578 0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.289 -7.669 2.084 1.00 0.00 H new ATOM 1267 N THR A 89 -4.989 -4.160 -1.768 1.00 0.00 N ATOM 1268 CA THR A 89 -5.181 -2.768 -2.204 1.00 0.00 C ATOM 1269 C THR A 89 -6.685 -2.477 -2.342 1.00 0.00 C ATOM 1270 O THR A 89 -7.497 -3.382 -2.161 1.00 0.00 O ATOM 1271 CB THR A 89 -4.381 -2.493 -3.497 1.00 0.00 C ATOM 1272 OG1 THR A 89 -4.986 -3.128 -4.597 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.936 -2.976 -3.374 1.00 0.00 C ATOM 0 H THR A 89 -4.882 -4.826 -2.533 1.00 0.00 H new ATOM 0 HA THR A 89 -4.789 -2.080 -1.455 1.00 0.00 H new ATOM 0 HB THR A 89 -4.378 -1.414 -3.652 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.671 -2.540 -4.978 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.402 -2.767 -4.301 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.448 -2.457 -2.549 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.926 -4.049 -3.184 1.00 0.00 H new ATOM 1281 N HIS A 90 -7.060 -1.233 -2.671 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.445 -0.817 -2.922 1.00 0.00 C ATOM 1283 C HIS A 90 -9.296 -0.905 -1.652 1.00 0.00 C ATOM 1284 O HIS A 90 -10.332 -1.566 -1.650 1.00 0.00 O ATOM 1285 CB HIS A 90 -9.097 -1.606 -4.081 1.00 0.00 C ATOM 1286 CG HIS A 90 -8.398 -1.551 -5.416 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -7.066 -1.790 -5.640 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -8.990 -1.387 -6.640 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.861 -1.812 -6.962 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -8.004 -1.559 -7.618 1.00 0.00 N ATOM 0 H HIS A 90 -6.391 -0.470 -2.772 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.404 0.228 -3.230 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.174 -2.651 -3.780 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.114 -1.237 -4.214 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.032 -1.165 -6.819 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.910 -2.006 -7.435 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.129 -1.503 -8.629 1.00 0.00 H new ATOM 1298 N LYS A 91 -8.866 -0.243 -0.571 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.551 -0.297 0.719 1.00 0.00 C ATOM 1300 C LYS A 91 -9.981 1.078 1.223 1.00 0.00 C ATOM 1301 O LYS A 91 -10.381 1.200 2.380 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.681 -1.058 1.725 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.288 -2.431 1.162 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.496 -3.341 1.037 1.00 0.00 C ATOM 1305 CE LYS A 91 -9.260 -4.550 0.133 1.00 0.00 C ATOM 1306 NZ LYS A 91 -10.081 -5.696 0.563 1.00 0.00 N ATOM 0 H LYS A 91 -8.032 0.345 -0.570 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.485 -0.843 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.785 -0.480 1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.223 -1.184 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.821 -2.306 0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.546 -2.895 1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.782 -3.690 2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.336 -2.765 0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.501 -4.291 -0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.205 -4.825 0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.217 -6.346 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.600 -6.196 1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.007 -5.356 0.893 1.00 0.00 H new ATOM 1320 N GLU A 92 -9.955 2.090 0.350 1.00 0.00 N ATOM 1321 CA GLU A 92 -10.451 3.433 0.628 1.00 0.00 C ATOM 1322 C GLU A 92 -11.822 3.323 1.302 1.00 0.00 C ATOM 1323 O GLU A 92 -11.979 3.631 2.484 1.00 0.00 O ATOM 1324 CB GLU A 92 -10.486 4.201 -0.700 1.00 0.00 C ATOM 1325 CG GLU A 92 -10.848 5.682 -0.552 1.00 0.00 C ATOM 1326 CD GLU A 92 -11.081 6.315 -1.920 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -10.370 5.898 -2.861 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -11.981 7.175 -2.004 1.00 0.00 O ATOM 0 H GLU A 92 -9.578 1.991 -0.592 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.807 3.982 1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.510 4.122 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.208 3.725 -1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.744 5.784 0.060 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.047 6.208 -0.033 1.00 0.00 H new ATOM 1335 N GLU A 93 -12.789 2.758 0.578 1.00 0.00 N ATOM 1336 CA GLU A 93 -14.137 2.546 1.075 1.00 0.00 C ATOM 1337 C GLU A 93 -14.261 1.245 1.894 1.00 0.00 C ATOM 1338 O GLU A 93 -15.348 0.672 1.950 1.00 0.00 O ATOM 1339 CB GLU A 93 -15.116 2.590 -0.109 1.00 0.00 C ATOM 1340 CG GLU A 93 -15.001 3.885 -0.931 1.00 0.00 C ATOM 1341 CD GLU A 93 -15.987 3.883 -2.094 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -15.806 3.025 -2.984 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -16.918 4.720 -2.061 1.00 0.00 O ATOM 0 H GLU A 93 -12.651 2.434 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.389 3.346 1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.931 1.735 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -16.135 2.492 0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -15.192 4.745 -0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.985 3.990 -1.311 1.00 0.00 H new ATOM 1350 N GLU A 94 -13.178 0.785 2.540 1.00 0.00 N ATOM 1351 CA GLU A 94 -13.193 -0.279 3.540 1.00 0.00 C ATOM 1352 C GLU A 94 -12.537 0.165 4.857 1.00 0.00 C ATOM 1353 O GLU A 94 -12.636 -0.571 5.842 1.00 0.00 O ATOM 1354 CB GLU A 94 -12.501 -1.551 3.027 1.00 0.00 C ATOM 1355 CG GLU A 94 -13.209 -2.236 1.848 1.00 0.00 C ATOM 1356 CD GLU A 94 -13.091 -3.757 1.952 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -13.845 -4.330 2.765 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -12.212 -4.331 1.269 1.00 0.00 O ATOM 0 H GLU A 94 -12.244 1.158 2.372 1.00 0.00 H new ATOM 0 HA GLU A 94 -14.242 -0.503 3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.484 -1.299 2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -12.423 -2.262 3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.260 -1.949 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.772 -1.896 0.909 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.823 1.303 4.899 1.00 0.00 N ATOM 1366 CA ILE A 95 -11.306 1.857 6.139 1.00 0.00 C ATOM 1367 C ILE A 95 -12.285 2.840 6.776 1.00 0.00 C ATOM 1368 O ILE A 95 -12.410 2.852 8.001 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.890 2.428 5.962 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.825 3.569 4.949 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -8.944 1.289 5.590 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -8.481 4.281 4.968 1.00 0.00 C ATOM 0 H ILE A 95 -11.595 1.855 4.072 1.00 0.00 H new ATOM 0 HA ILE A 95 -11.208 1.038 6.851 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.580 2.871 6.909 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.011 3.176 3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.617 4.287 5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.935 1.681 5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.944 0.542 6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -9.276 0.830 4.659 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.484 5.084 4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.305 4.699 5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.690 3.571 4.728 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.934 3.673 5.960 1.00 0.00 N ATOM 1385 CA VAL A 96 -13.922 4.628 6.440 1.00 0.00 C ATOM 1386 C VAL A 96 -15.218 3.903 6.817 1.00 0.00 C ATOM 1387 O VAL A 96 -15.999 4.502 7.588 1.00 0.00 O ATOM 1388 CB VAL A 96 -14.159 5.740 5.401 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -12.852 6.464 5.049 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -14.807 5.214 4.115 1.00 0.00 C ATOM 1391 OXT VAL A 96 -15.415 2.771 6.316 1.00 0.00 O ATOM 0 H VAL A 96 -12.787 3.701 4.951 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.541 5.111 7.340 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.849 6.443 5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.054 7.243 4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.432 6.915 5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.140 5.750 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -14.952 6.039 3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -14.159 4.464 3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.772 4.765 4.351 1.00 0.00 H new TER 1401 VAL A 96 HETATM 1402 FE1 FES A 97 -2.863 10.567 -1.898 1.00 0.00 FE HETATM 1403 FE2 FES A 97 -2.781 8.116 -1.661 1.00 0.00 FE HETATM 1404 S1 FES A 97 -1.269 9.469 -0.895 1.00 0.00 S HETATM 1405 S2 FES A 97 -3.566 9.216 -3.394 1.00 0.00 S