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 96:sc= -0.235 USER MOD Set 1.2: A 90 HIS : no HD1:sc= -0.209 K(o=-0.44,f=-1.8) USER MOD Set 2.1: A 23 TYR OH : rot -57:sc= 1.35 USER MOD Set 2.2: A 78 HIS : no HD1:sc= -0.401 K(o=0.95,f=-7.2!) USER MOD Set 3.1: A 61 GLN : amide:sc= 1.26 K(o=1.1,f=-11!) USER MOD Set 3.2: A 69 MET CE :methyl -174:sc= -0.179 (180deg=-0.0606) USER MOD Set 4.1: A 50 LYS NZ :NH3+ -175:sc= 1.25 (180deg=0) USER MOD Set 4.2: A 73 TYR OH : rot 7:sc= 2.34 USER MOD Single : A 1 ALA N :NH3+ 145:sc= 0.543 (180deg=-2.1!) USER MOD Single : A 2 THR OG1 : rot -111:sc= 1.15 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.634 X(o=-0.63,f=-0.18) USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.08) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0249 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -59:sc= -2.34 USER MOD Single : A 27 GLN : amide:sc= 1.79 K(o=1.8,f=-0.42) USER MOD Single : A 37 TYR OH : rot 128:sc= 1.23 USER MOD Single : A 38 SER OG : rot 56:sc= 0.179 USER MOD Single : A 43 SER OG : rot -46:sc= 0.49 USER MOD Single : A 45 SER OG : rot 8:sc= 0.483 USER MOD Single : A 46 SER OG : rot -160:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0269 USER MOD Single : A 55 SER OG : rot -7:sc= 0.303 USER MOD Single : A 58 GLN :FLIP amide:sc= -2.43 F(o=-3.2!,f=-2.4) USER MOD Single : A 59 SER OG : rot -45:sc= 0.686 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0594 K(o=-0.059,f=-5.7!) USER MOD Single : A 76 THR OG1 : rot 100:sc= 0.646 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.028 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0811 USER MOD Single : A 91 LYS NZ :NH3+ -115:sc= 1.81 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 17.320 -2.954 -0.676 1.00 0.00 N ATOM 2 CA ALA A 1 17.094 -4.398 -0.461 1.00 0.00 C ATOM 3 C ALA A 1 16.209 -5.055 -1.527 1.00 0.00 C ATOM 4 O ALA A 1 16.640 -6.028 -2.139 1.00 0.00 O ATOM 5 CB ALA A 1 16.583 -4.704 0.949 1.00 0.00 C ATOM 0 H1 ALA A 1 17.369 -2.470 0.243 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.214 -2.815 -1.189 1.00 0.00 H new ATOM 0 H3 ALA A 1 16.536 -2.559 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 1 18.079 -4.852 -0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.433 -5.778 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 1 17.314 -4.365 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.638 -4.187 1.113 1.00 0.00 H new ATOM 12 N THR A 2 14.990 -4.546 -1.720 1.00 0.00 N ATOM 13 CA THR A 2 14.003 -5.021 -2.686 1.00 0.00 C ATOM 14 C THR A 2 13.313 -6.298 -2.201 1.00 0.00 C ATOM 15 O THR A 2 13.868 -7.391 -2.301 1.00 0.00 O ATOM 16 CB THR A 2 14.588 -5.110 -4.102 1.00 0.00 C ATOM 17 OG1 THR A 2 15.162 -3.865 -4.438 1.00 0.00 O ATOM 18 CG2 THR A 2 13.517 -5.470 -5.134 1.00 0.00 C ATOM 0 H THR A 2 14.650 -3.751 -1.178 1.00 0.00 H new ATOM 0 HA THR A 2 13.209 -4.278 -2.759 1.00 0.00 H new ATOM 0 HB THR A 2 15.342 -5.897 -4.113 1.00 0.00 H new ATOM 0 HG1 THR A 2 14.632 -3.441 -5.145 1.00 0.00 H new ATOM 0 HG21 THR A 2 13.969 -5.524 -6.124 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.079 -6.436 -4.882 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.738 -4.707 -5.132 1.00 0.00 H new ATOM 26 N TYR A 3 12.091 -6.157 -1.670 1.00 0.00 N ATOM 27 CA TYR A 3 11.365 -7.241 -1.015 1.00 0.00 C ATOM 28 C TYR A 3 10.182 -7.717 -1.842 1.00 0.00 C ATOM 29 O TYR A 3 9.674 -6.995 -2.695 1.00 0.00 O ATOM 30 CB TYR A 3 10.868 -6.781 0.354 1.00 0.00 C ATOM 31 CG TYR A 3 11.982 -6.369 1.296 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.979 -7.292 1.665 1.00 0.00 C ATOM 33 CD2 TYR A 3 12.039 -5.051 1.782 1.00 0.00 C ATOM 34 CE1 TYR A 3 14.025 -6.895 2.517 1.00 0.00 C ATOM 35 CE2 TYR A 3 13.058 -4.673 2.671 1.00 0.00 C ATOM 36 CZ TYR A 3 14.049 -5.594 3.040 1.00 0.00 C ATOM 37 OH TYR A 3 15.068 -5.210 3.859 1.00 0.00 O ATOM 0 H TYR A 3 11.578 -5.276 -1.686 1.00 0.00 H new ATOM 0 HA TYR A 3 12.058 -8.075 -0.905 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.187 -5.941 0.221 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.295 -7.587 0.813 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.940 -8.305 1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.299 -4.329 1.471 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.810 -7.592 2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 3 13.079 -3.670 3.072 1.00 0.00 H new ATOM 0 HH TYR A 3 14.934 -4.279 4.133 1.00 0.00 H new ATOM 47 N ASN A 4 9.745 -8.943 -1.555 1.00 0.00 N ATOM 48 CA ASN A 4 8.609 -9.615 -2.130 1.00 0.00 C ATOM 49 C ASN A 4 7.331 -9.025 -1.545 1.00 0.00 C ATOM 50 O ASN A 4 6.982 -9.304 -0.399 1.00 0.00 O ATOM 51 CB ASN A 4 8.739 -11.107 -1.782 1.00 0.00 C ATOM 52 CG ASN A 4 7.591 -11.965 -2.295 1.00 0.00 C ATOM 53 OD1 ASN A 4 7.432 -13.097 -1.856 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.830 -11.459 -3.255 1.00 0.00 N ATOM 0 H ASN A 4 10.219 -9.524 -0.863 1.00 0.00 H new ATOM 0 HA ASN A 4 8.571 -9.490 -3.212 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.674 -11.486 -2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.802 -11.213 -0.699 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.077 -12.018 -3.657 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.997 -10.511 -3.592 1.00 0.00 H new ATOM 61 N VAL A 5 6.645 -8.206 -2.338 1.00 0.00 N ATOM 62 CA VAL A 5 5.385 -7.599 -1.945 1.00 0.00 C ATOM 63 C VAL A 5 4.229 -8.196 -2.746 1.00 0.00 C ATOM 64 O VAL A 5 4.127 -7.947 -3.950 1.00 0.00 O ATOM 65 CB VAL A 5 5.446 -6.074 -2.098 1.00 0.00 C ATOM 66 CG1 VAL A 5 4.153 -5.473 -1.526 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.684 -5.515 -1.384 1.00 0.00 C ATOM 0 H VAL A 5 6.953 -7.946 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 5 5.208 -7.818 -0.892 1.00 0.00 H new ATOM 0 HB VAL A 5 5.530 -5.806 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.180 -4.388 -1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.296 -5.867 -2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.064 -5.737 -0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.714 -4.432 -1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.636 -5.764 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.583 -5.952 -1.819 1.00 0.00 H new ATOM 77 N LYS A 6 3.339 -8.955 -2.093 1.00 0.00 N ATOM 78 CA LYS A 6 2.087 -9.350 -2.704 1.00 0.00 C ATOM 79 C LYS A 6 1.023 -8.274 -2.539 1.00 0.00 C ATOM 80 O LYS A 6 0.710 -7.864 -1.419 1.00 0.00 O ATOM 81 CB LYS A 6 1.612 -10.681 -2.149 1.00 0.00 C ATOM 82 CG LYS A 6 0.323 -11.087 -2.885 1.00 0.00 C ATOM 83 CD LYS A 6 -0.310 -12.327 -2.273 1.00 0.00 C ATOM 84 CE LYS A 6 0.675 -13.489 -2.390 1.00 0.00 C ATOM 85 NZ LYS A 6 -0.038 -14.768 -2.571 1.00 0.00 N ATOM 0 H LYS A 6 3.473 -9.302 -1.143 1.00 0.00 H new ATOM 0 HA LYS A 6 2.263 -9.473 -3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.380 -11.443 -2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.427 -10.600 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.389 -10.262 -2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.548 -11.274 -3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.559 -12.147 -1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.241 -12.568 -2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.345 -13.319 -3.233 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.295 -13.537 -1.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.642 -15.510 -2.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.512 -15.030 -1.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.747 -14.666 -3.325 1.00 0.00 H new ATOM 99 N LEU A 7 0.409 -7.905 -3.670 1.00 0.00 N ATOM 100 CA LEU A 7 -0.763 -7.063 -3.723 1.00 0.00 C ATOM 101 C LEU A 7 -1.941 -7.952 -4.078 1.00 0.00 C ATOM 102 O LEU A 7 -1.957 -8.492 -5.180 1.00 0.00 O ATOM 103 CB LEU A 7 -0.508 -5.941 -4.739 1.00 0.00 C ATOM 104 CG LEU A 7 0.736 -5.097 -4.426 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.824 -3.927 -5.406 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.740 -4.560 -2.995 1.00 0.00 C ATOM 0 H LEU A 7 0.733 -8.199 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.986 -6.579 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.399 -6.379 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.380 -5.288 -4.773 1.00 0.00 H new ATOM 0 HG LEU A 7 1.601 -5.751 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.708 -3.330 -5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.894 -4.310 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.067 -3.306 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.642 -3.971 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.137 -3.932 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.718 -5.394 -2.293 1.00 0.00 H new ATOM 118 N ILE A 8 -2.881 -8.151 -3.143 1.00 0.00 N ATOM 119 CA ILE A 8 -4.096 -8.907 -3.376 1.00 0.00 C ATOM 120 C ILE A 8 -5.078 -7.926 -4.004 1.00 0.00 C ATOM 121 O ILE A 8 -5.836 -7.240 -3.321 1.00 0.00 O ATOM 122 CB ILE A 8 -4.574 -9.565 -2.070 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.545 -10.582 -1.551 1.00 0.00 C ATOM 124 CG2 ILE A 8 -5.942 -10.241 -2.257 1.00 0.00 C ATOM 125 CD1 ILE A 8 -3.649 -10.782 -0.039 1.00 0.00 C ATOM 0 H ILE A 8 -2.807 -7.782 -2.195 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.962 -9.748 -4.057 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.680 -8.774 -1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.694 -11.537 -2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.541 -10.242 -1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.254 -10.697 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.678 -9.496 -2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.866 -11.010 -3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.903 -11.509 0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.473 -9.832 0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.645 -11.148 0.212 1.00 0.00 H new ATOM 137 N THR A 9 -4.995 -7.805 -5.326 1.00 0.00 N ATOM 138 CA THR A 9 -5.879 -6.971 -6.105 1.00 0.00 C ATOM 139 C THR A 9 -7.171 -7.742 -6.393 1.00 0.00 C ATOM 140 O THR A 9 -7.106 -8.971 -6.491 1.00 0.00 O ATOM 141 CB THR A 9 -5.189 -6.631 -7.419 1.00 0.00 C ATOM 142 OG1 THR A 9 -4.797 -7.834 -8.052 1.00 0.00 O ATOM 143 CG2 THR A 9 -3.883 -5.861 -7.228 1.00 0.00 C ATOM 0 H THR A 9 -4.298 -8.295 -5.886 1.00 0.00 H new ATOM 0 HA THR A 9 -6.116 -6.057 -5.560 1.00 0.00 H new ATOM 0 HB THR A 9 -5.902 -6.033 -7.987 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.353 -7.627 -8.901 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.440 -5.649 -8.201 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.086 -4.924 -6.709 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.190 -6.460 -6.637 1.00 0.00 H new ATOM 151 N PRO A 10 -8.305 -7.054 -6.610 1.00 0.00 N ATOM 152 CA PRO A 10 -9.594 -7.658 -6.919 1.00 0.00 C ATOM 153 C PRO A 10 -9.530 -8.642 -8.091 1.00 0.00 C ATOM 154 O PRO A 10 -10.192 -9.676 -8.077 1.00 0.00 O ATOM 155 CB PRO A 10 -10.532 -6.493 -7.217 1.00 0.00 C ATOM 156 CG PRO A 10 -9.921 -5.327 -6.466 1.00 0.00 C ATOM 157 CD PRO A 10 -8.441 -5.611 -6.549 1.00 0.00 C ATOM 0 HA PRO A 10 -9.943 -8.259 -6.080 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.591 -6.292 -8.287 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.546 -6.700 -6.875 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.176 -4.372 -6.926 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.267 -5.286 -5.433 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.004 -5.142 -7.431 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.919 -5.208 -5.681 1.00 0.00 H new ATOM 165 N ASP A 11 -8.706 -8.306 -9.087 1.00 0.00 N ATOM 166 CA ASP A 11 -8.350 -9.105 -10.252 1.00 0.00 C ATOM 167 C ASP A 11 -7.990 -10.528 -9.851 1.00 0.00 C ATOM 168 O ASP A 11 -8.315 -11.490 -10.541 1.00 0.00 O ATOM 169 CB ASP A 11 -7.126 -8.446 -10.897 1.00 0.00 C ATOM 170 CG ASP A 11 -7.512 -7.150 -11.586 1.00 0.00 C ATOM 171 OD1 ASP A 11 -7.781 -6.197 -10.821 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.555 -7.148 -12.834 1.00 0.00 O ATOM 0 H ASP A 11 -8.238 -7.400 -9.096 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.195 -9.151 -10.939 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.371 -8.248 -10.136 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.679 -9.128 -11.620 1.00 0.00 H new ATOM 177 N GLY A 12 -7.297 -10.622 -8.719 1.00 0.00 N ATOM 178 CA GLY A 12 -6.944 -11.848 -8.057 1.00 0.00 C ATOM 179 C GLY A 12 -5.430 -11.925 -7.913 1.00 0.00 C ATOM 180 O GLY A 12 -4.806 -12.811 -8.492 1.00 0.00 O ATOM 0 H GLY A 12 -6.956 -9.798 -8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.417 -11.894 -7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.310 -12.701 -8.628 1.00 0.00 H new ATOM 184 N GLU A 13 -4.878 -10.987 -7.134 1.00 0.00 N ATOM 185 CA GLU A 13 -3.469 -10.840 -6.796 1.00 0.00 C ATOM 186 C GLU A 13 -2.630 -10.417 -7.998 1.00 0.00 C ATOM 187 O GLU A 13 -3.071 -10.474 -9.144 1.00 0.00 O ATOM 188 CB GLU A 13 -2.918 -12.127 -6.186 1.00 0.00 C ATOM 189 CG GLU A 13 -3.555 -12.528 -4.853 1.00 0.00 C ATOM 190 CD GLU A 13 -3.182 -13.947 -4.432 1.00 0.00 C ATOM 191 OE1 GLU A 13 -1.965 -14.208 -4.275 1.00 0.00 O ATOM 192 OE2 GLU A 13 -4.114 -14.746 -4.218 1.00 0.00 O ATOM 0 H GLU A 13 -5.449 -10.264 -6.696 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.401 -10.044 -6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.058 -12.940 -6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.844 -12.013 -6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.241 -11.828 -4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.639 -12.449 -4.933 1.00 0.00 H new ATOM 199 N VAL A 14 -1.394 -10.000 -7.714 1.00 0.00 N ATOM 200 CA VAL A 14 -0.429 -9.694 -8.759 1.00 0.00 C ATOM 201 C VAL A 14 0.983 -10.063 -8.315 1.00 0.00 C ATOM 202 O VAL A 14 1.617 -10.919 -8.926 1.00 0.00 O ATOM 203 CB VAL A 14 -0.613 -8.240 -9.217 1.00 0.00 C ATOM 204 CG1 VAL A 14 -0.513 -7.186 -8.120 1.00 0.00 C ATOM 205 CG2 VAL A 14 0.328 -7.887 -10.365 1.00 0.00 C ATOM 0 H VAL A 14 -1.043 -9.868 -6.766 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.606 -10.308 -9.642 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.647 -8.209 -9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.658 -6.196 -8.552 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.280 -7.370 -7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.471 -7.238 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.168 -6.850 -10.661 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.361 -8.017 -10.042 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.128 -8.542 -11.213 1.00 0.00 H new ATOM 215 N GLU A 15 1.428 -9.449 -7.218 1.00 0.00 N ATOM 216 CA GLU A 15 2.731 -9.645 -6.596 1.00 0.00 C ATOM 217 C GLU A 15 3.881 -9.066 -7.419 1.00 0.00 C ATOM 218 O GLU A 15 3.875 -9.111 -8.647 1.00 0.00 O ATOM 219 CB GLU A 15 2.945 -11.123 -6.239 1.00 0.00 C ATOM 220 CG GLU A 15 4.053 -11.340 -5.204 1.00 0.00 C ATOM 221 CD GLU A 15 4.208 -12.809 -4.842 1.00 0.00 C ATOM 222 OE1 GLU A 15 3.171 -13.490 -4.694 1.00 0.00 O ATOM 223 OE2 GLU A 15 5.382 -13.205 -4.680 1.00 0.00 O ATOM 0 H GLU A 15 0.858 -8.768 -6.717 1.00 0.00 H new ATOM 0 HA GLU A 15 2.734 -9.075 -5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.012 -11.536 -5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.190 -11.677 -7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.996 -10.961 -5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.828 -10.766 -4.305 1.00 0.00 H new ATOM 230 N PHE A 16 4.871 -8.496 -6.725 1.00 0.00 N ATOM 231 CA PHE A 16 6.052 -7.904 -7.336 1.00 0.00 C ATOM 232 C PHE A 16 7.160 -7.687 -6.305 1.00 0.00 C ATOM 233 O PHE A 16 7.010 -8.044 -5.133 1.00 0.00 O ATOM 234 CB PHE A 16 5.720 -6.662 -8.168 1.00 0.00 C ATOM 235 CG PHE A 16 5.485 -5.418 -7.360 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.497 -5.409 -6.366 1.00 0.00 C ATOM 237 CD2 PHE A 16 6.368 -4.334 -7.481 1.00 0.00 C ATOM 238 CE1 PHE A 16 4.405 -4.328 -5.490 1.00 0.00 C ATOM 239 CE2 PHE A 16 6.216 -3.217 -6.655 1.00 0.00 C ATOM 240 CZ PHE A 16 5.204 -3.191 -5.684 1.00 0.00 C ATOM 0 H PHE A 16 4.869 -8.435 -5.707 1.00 0.00 H new ATOM 0 HA PHE A 16 6.449 -8.619 -8.057 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.537 -6.478 -8.866 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.831 -6.866 -8.765 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.809 -6.237 -6.279 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.163 -4.363 -8.211 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.716 -4.366 -4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.879 -2.372 -6.765 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.041 -2.303 -5.091 1.00 0.00 H new ATOM 250 N LYS A 17 8.300 -7.167 -6.767 1.00 0.00 N ATOM 251 CA LYS A 17 9.437 -6.799 -5.943 1.00 0.00 C ATOM 252 C LYS A 17 9.458 -5.283 -5.770 1.00 0.00 C ATOM 253 O LYS A 17 9.470 -4.550 -6.755 1.00 0.00 O ATOM 254 CB LYS A 17 10.733 -7.333 -6.574 1.00 0.00 C ATOM 255 CG LYS A 17 11.359 -8.452 -5.735 1.00 0.00 C ATOM 256 CD LYS A 17 10.452 -9.680 -5.625 1.00 0.00 C ATOM 257 CE LYS A 17 10.535 -10.608 -6.845 1.00 0.00 C ATOM 258 NZ LYS A 17 9.749 -11.846 -6.641 1.00 0.00 N ATOM 0 H LYS A 17 8.455 -6.988 -7.759 1.00 0.00 H new ATOM 0 HA LYS A 17 9.353 -7.248 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.522 -7.706 -7.576 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.447 -6.517 -6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.310 -8.746 -6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.576 -8.074 -4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.720 -10.242 -4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.421 -9.351 -5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.168 -10.084 -7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.577 -10.865 -7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.827 -12.450 -7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.116 -12.358 -5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.751 -11.601 -6.482 1.00 0.00 H new ATOM 272 N CYS A 18 9.464 -4.812 -4.523 1.00 0.00 N ATOM 273 CA CYS A 18 9.414 -3.387 -4.224 1.00 0.00 C ATOM 274 C CYS A 18 10.630 -2.975 -3.424 1.00 0.00 C ATOM 275 O CYS A 18 10.937 -3.601 -2.405 1.00 0.00 O ATOM 276 CB CYS A 18 8.131 -3.019 -3.508 1.00 0.00 C ATOM 277 SG CYS A 18 8.039 -1.206 -3.537 1.00 0.00 S ATOM 0 H CYS A 18 9.504 -5.408 -3.696 1.00 0.00 H new ATOM 0 HA CYS A 18 9.425 -2.839 -5.166 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.267 -3.461 -4.005 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.135 -3.392 -2.484 1.00 0.00 H new ATOM 0 HG CYS A 18 9.083 -0.709 -2.943 1.00 0.00 H new ATOM 283 N ASP A 19 11.316 -1.933 -3.893 1.00 0.00 N ATOM 284 CA ASP A 19 12.476 -1.387 -3.224 1.00 0.00 C ATOM 285 C ASP A 19 12.013 -0.715 -1.942 1.00 0.00 C ATOM 286 O ASP A 19 10.980 -0.055 -1.873 1.00 0.00 O ATOM 287 CB ASP A 19 13.266 -0.421 -4.114 1.00 0.00 C ATOM 288 CG ASP A 19 13.885 -1.085 -5.341 1.00 0.00 C ATOM 289 OD1 ASP A 19 13.445 -2.209 -5.685 1.00 0.00 O ATOM 290 OD2 ASP A 19 14.832 -0.483 -5.886 1.00 0.00 O ATOM 0 H ASP A 19 11.073 -1.446 -4.756 1.00 0.00 H new ATOM 0 HA ASP A 19 13.166 -2.198 -2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.605 0.381 -4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.058 0.039 -3.523 1.00 0.00 H new ATOM 295 N ASP A 20 12.832 -0.900 -0.928 1.00 0.00 N ATOM 296 CA ASP A 20 12.713 -0.426 0.435 1.00 0.00 C ATOM 297 C ASP A 20 12.787 1.097 0.487 1.00 0.00 C ATOM 298 O ASP A 20 12.302 1.705 1.438 1.00 0.00 O ATOM 299 CB ASP A 20 13.731 -1.161 1.349 1.00 0.00 C ATOM 300 CG ASP A 20 15.026 -1.646 0.687 1.00 0.00 C ATOM 301 OD1 ASP A 20 14.950 -2.207 -0.435 1.00 0.00 O ATOM 302 OD2 ASP A 20 16.128 -1.611 1.271 1.00 0.00 O ATOM 0 H ASP A 20 13.687 -1.443 -1.052 1.00 0.00 H new ATOM 0 HA ASP A 20 11.729 -0.673 0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.997 -0.493 2.168 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.231 -2.023 1.791 1.00 0.00 H new ATOM 307 N ASP A 21 13.319 1.705 -0.576 1.00 0.00 N ATOM 308 CA ASP A 21 13.385 3.142 -0.761 1.00 0.00 C ATOM 309 C ASP A 21 12.393 3.612 -1.834 1.00 0.00 C ATOM 310 O ASP A 21 12.536 4.727 -2.335 1.00 0.00 O ATOM 311 CB ASP A 21 14.829 3.518 -1.125 1.00 0.00 C ATOM 312 CG ASP A 21 15.767 3.456 0.073 1.00 0.00 C ATOM 313 OD1 ASP A 21 15.630 4.338 0.948 1.00 0.00 O ATOM 314 OD2 ASP A 21 16.620 2.542 0.080 1.00 0.00 O ATOM 0 H ASP A 21 13.727 1.186 -1.353 1.00 0.00 H new ATOM 0 HA ASP A 21 13.101 3.645 0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.192 2.845 -1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.845 4.525 -1.543 1.00 0.00 H new ATOM 319 N VAL A 22 11.382 2.806 -2.202 1.00 0.00 N ATOM 320 CA VAL A 22 10.376 3.228 -3.172 1.00 0.00 C ATOM 321 C VAL A 22 8.965 2.883 -2.701 1.00 0.00 C ATOM 322 O VAL A 22 8.746 1.936 -1.949 1.00 0.00 O ATOM 323 CB VAL A 22 10.694 2.666 -4.569 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.033 1.319 -4.847 1.00 0.00 C ATOM 325 CG2 VAL A 22 10.205 3.616 -5.662 1.00 0.00 C ATOM 0 H VAL A 22 11.246 1.862 -1.839 1.00 0.00 H new ATOM 0 HA VAL A 22 10.411 4.314 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 22 11.778 2.549 -4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.300 0.983 -5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.376 0.588 -4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.950 1.423 -4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.441 3.197 -6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.127 3.747 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.698 4.582 -5.552 1.00 0.00 H new ATOM 335 N TYR A 23 8.002 3.684 -3.153 1.00 0.00 N ATOM 336 CA TYR A 23 6.594 3.495 -2.869 1.00 0.00 C ATOM 337 C TYR A 23 6.093 2.192 -3.503 1.00 0.00 C ATOM 338 O TYR A 23 6.385 1.914 -4.667 1.00 0.00 O ATOM 339 CB TYR A 23 5.819 4.688 -3.431 1.00 0.00 C ATOM 340 CG TYR A 23 5.720 5.951 -2.595 1.00 0.00 C ATOM 341 CD1 TYR A 23 6.716 6.303 -1.665 1.00 0.00 C ATOM 342 CD2 TYR A 23 4.695 6.869 -2.894 1.00 0.00 C ATOM 343 CE1 TYR A 23 6.702 7.575 -1.068 1.00 0.00 C ATOM 344 CE2 TYR A 23 4.672 8.133 -2.283 1.00 0.00 C ATOM 345 CZ TYR A 23 5.691 8.496 -1.388 1.00 0.00 C ATOM 346 OH TYR A 23 5.679 9.728 -0.802 1.00 0.00 O ATOM 0 H TYR A 23 8.190 4.498 -3.739 1.00 0.00 H new ATOM 0 HA TYR A 23 6.441 3.428 -1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.273 4.957 -4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.804 4.352 -3.644 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.491 5.595 -1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.922 6.599 -3.598 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.472 7.846 -0.360 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.872 8.825 -2.501 1.00 0.00 H new ATOM 0 HH TYR A 23 5.662 9.627 0.173 1.00 0.00 H new ATOM 356 N VAL A 24 5.257 1.435 -2.778 1.00 0.00 N ATOM 357 CA VAL A 24 4.675 0.184 -3.282 1.00 0.00 C ATOM 358 C VAL A 24 3.660 0.388 -4.414 1.00 0.00 C ATOM 359 O VAL A 24 3.030 -0.573 -4.844 1.00 0.00 O ATOM 360 CB VAL A 24 4.042 -0.661 -2.155 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.998 -2.155 -2.522 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.828 -0.573 -0.850 1.00 0.00 C ATOM 0 H VAL A 24 4.966 1.672 -1.829 1.00 0.00 H new ATOM 0 HA VAL A 24 5.520 -0.363 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 24 3.040 -0.252 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.546 -2.717 -1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.405 -2.290 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.011 -2.517 -2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.341 -1.185 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.843 -0.935 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.861 0.464 -0.515 1.00 0.00 H new ATOM 372 N LEU A 25 3.464 1.613 -4.899 1.00 0.00 N ATOM 373 CA LEU A 25 2.590 1.879 -6.027 1.00 0.00 C ATOM 374 C LEU A 25 3.459 2.263 -7.207 1.00 0.00 C ATOM 375 O LEU A 25 3.376 1.634 -8.249 1.00 0.00 O ATOM 376 CB LEU A 25 1.523 2.928 -5.705 1.00 0.00 C ATOM 377 CG LEU A 25 1.121 2.975 -4.217 1.00 0.00 C ATOM 378 CD1 LEU A 25 2.037 3.901 -3.403 1.00 0.00 C ATOM 379 CD2 LEU A 25 -0.336 3.418 -4.093 1.00 0.00 C ATOM 0 H LEU A 25 3.910 2.447 -4.516 1.00 0.00 H new ATOM 0 HA LEU A 25 2.022 0.982 -6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.891 3.910 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.636 2.725 -6.305 1.00 0.00 H new ATOM 0 HG LEU A 25 1.233 1.972 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.718 3.904 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.065 3.544 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.979 4.913 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.618 3.451 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.453 4.409 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.977 2.711 -4.619 1.00 0.00 H new ATOM 391 N ASP A 26 4.349 3.234 -7.015 1.00 0.00 N ATOM 392 CA ASP A 26 5.286 3.725 -8.010 1.00 0.00 C ATOM 393 C ASP A 26 5.971 2.572 -8.742 1.00 0.00 C ATOM 394 O ASP A 26 5.799 2.395 -9.946 1.00 0.00 O ATOM 395 CB ASP A 26 6.287 4.630 -7.281 1.00 0.00 C ATOM 396 CG ASP A 26 5.565 5.886 -6.801 1.00 0.00 C ATOM 397 OD1 ASP A 26 4.654 5.710 -5.965 1.00 0.00 O ATOM 398 OD2 ASP A 26 5.885 6.998 -7.277 1.00 0.00 O ATOM 0 H ASP A 26 4.437 3.718 -6.121 1.00 0.00 H new ATOM 0 HA ASP A 26 4.769 4.295 -8.782 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.725 4.101 -6.435 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.106 4.899 -7.948 1.00 0.00 H new ATOM 403 N GLN A 27 6.724 1.749 -8.008 1.00 0.00 N ATOM 404 CA GLN A 27 7.414 0.633 -8.620 1.00 0.00 C ATOM 405 C GLN A 27 6.421 -0.394 -9.179 1.00 0.00 C ATOM 406 O GLN A 27 6.718 -1.058 -10.164 1.00 0.00 O ATOM 407 CB GLN A 27 8.439 0.065 -7.635 1.00 0.00 C ATOM 408 CG GLN A 27 9.293 -1.033 -8.279 1.00 0.00 C ATOM 409 CD GLN A 27 10.699 -1.118 -7.676 1.00 0.00 C ATOM 410 OE1 GLN A 27 11.463 -0.166 -7.782 1.00 0.00 O ATOM 411 NE2 GLN A 27 11.063 -2.229 -7.040 1.00 0.00 N ATOM 0 H GLN A 27 6.865 1.840 -7.002 1.00 0.00 H new ATOM 0 HA GLN A 27 7.978 0.968 -9.491 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.085 0.867 -7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.923 -0.339 -6.764 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.792 -1.994 -8.160 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.372 -0.845 -9.350 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.411 -3.010 -6.963 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.994 -2.300 -6.629 1.00 0.00 H new ATOM 420 N ALA A 28 5.222 -0.499 -8.602 1.00 0.00 N ATOM 421 CA ALA A 28 4.178 -1.347 -9.157 1.00 0.00 C ATOM 422 C ALA A 28 3.830 -0.872 -10.573 1.00 0.00 C ATOM 423 O ALA A 28 3.859 -1.653 -11.524 1.00 0.00 O ATOM 424 CB ALA A 28 2.949 -1.338 -8.244 1.00 0.00 C ATOM 0 H ALA A 28 4.955 -0.005 -7.750 1.00 0.00 H new ATOM 0 HA ALA A 28 4.535 -2.375 -9.219 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.175 -1.976 -8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.225 -1.712 -7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.571 -0.320 -8.153 1.00 0.00 H new ATOM 430 N GLU A 29 3.534 0.422 -10.721 1.00 0.00 N ATOM 431 CA GLU A 29 3.249 1.049 -11.998 1.00 0.00 C ATOM 432 C GLU A 29 4.420 0.832 -12.957 1.00 0.00 C ATOM 433 O GLU A 29 4.187 0.496 -14.116 1.00 0.00 O ATOM 434 CB GLU A 29 2.926 2.539 -11.825 1.00 0.00 C ATOM 435 CG GLU A 29 1.586 2.759 -11.109 1.00 0.00 C ATOM 436 CD GLU A 29 1.212 4.235 -11.035 1.00 0.00 C ATOM 437 OE1 GLU A 29 2.146 5.064 -10.975 1.00 0.00 O ATOM 438 OE2 GLU A 29 -0.005 4.519 -11.042 1.00 0.00 O ATOM 0 H GLU A 29 3.487 1.070 -9.935 1.00 0.00 H new ATOM 0 HA GLU A 29 2.364 0.581 -12.429 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.723 3.019 -11.257 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.897 3.019 -12.803 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.802 2.212 -11.632 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.642 2.349 -10.101 1.00 0.00 H new ATOM 445 N GLU A 30 5.665 0.951 -12.477 1.00 0.00 N ATOM 446 CA GLU A 30 6.841 0.593 -13.271 1.00 0.00 C ATOM 447 C GLU A 30 6.741 -0.812 -13.865 1.00 0.00 C ATOM 448 O GLU A 30 7.150 -1.026 -15.006 1.00 0.00 O ATOM 449 CB GLU A 30 8.150 0.817 -12.502 1.00 0.00 C ATOM 450 CG GLU A 30 8.401 2.299 -12.176 1.00 0.00 C ATOM 451 CD GLU A 30 8.931 3.065 -13.384 1.00 0.00 C ATOM 452 OE1 GLU A 30 10.112 2.830 -13.723 1.00 0.00 O ATOM 453 OE2 GLU A 30 8.154 3.863 -13.949 1.00 0.00 O ATOM 0 H GLU A 30 5.881 1.293 -11.541 1.00 0.00 H new ATOM 0 HA GLU A 30 6.862 1.277 -14.119 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.124 0.245 -11.575 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.983 0.433 -13.091 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.473 2.758 -11.834 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.115 2.375 -11.356 1.00 0.00 H new ATOM 460 N GLU A 31 6.180 -1.771 -13.127 1.00 0.00 N ATOM 461 CA GLU A 31 6.003 -3.125 -13.643 1.00 0.00 C ATOM 462 C GLU A 31 4.776 -3.197 -14.555 1.00 0.00 C ATOM 463 O GLU A 31 4.690 -4.069 -15.418 1.00 0.00 O ATOM 464 CB GLU A 31 5.899 -4.134 -12.496 1.00 0.00 C ATOM 465 CG GLU A 31 6.912 -3.828 -11.382 1.00 0.00 C ATOM 466 CD GLU A 31 7.705 -5.039 -10.890 1.00 0.00 C ATOM 467 OE1 GLU A 31 7.281 -6.181 -11.173 1.00 0.00 O ATOM 468 OE2 GLU A 31 8.704 -4.814 -10.176 1.00 0.00 O ATOM 0 H GLU A 31 5.842 -1.634 -12.174 1.00 0.00 H new ATOM 0 HA GLU A 31 6.880 -3.385 -14.237 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.889 -4.117 -12.086 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.071 -5.140 -12.879 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.612 -3.075 -11.743 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.381 -3.391 -10.537 1.00 0.00 H new ATOM 475 N GLY A 32 3.822 -2.290 -14.341 1.00 0.00 N ATOM 476 CA GLY A 32 2.587 -2.160 -15.097 1.00 0.00 C ATOM 477 C GLY A 32 1.368 -2.401 -14.212 1.00 0.00 C ATOM 478 O GLY A 32 0.262 -2.556 -14.727 1.00 0.00 O ATOM 0 H GLY A 32 3.898 -1.595 -13.598 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.530 -1.164 -15.535 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.587 -2.872 -15.922 1.00 0.00 H new ATOM 482 N ILE A 33 1.549 -2.457 -12.889 1.00 0.00 N ATOM 483 CA ILE A 33 0.453 -2.746 -11.975 1.00 0.00 C ATOM 484 C ILE A 33 -0.350 -1.476 -11.699 1.00 0.00 C ATOM 485 O ILE A 33 0.197 -0.476 -11.244 1.00 0.00 O ATOM 486 CB ILE A 33 0.966 -3.353 -10.666 1.00 0.00 C ATOM 487 CG1 ILE A 33 1.899 -4.528 -10.968 1.00 0.00 C ATOM 488 CG2 ILE A 33 -0.224 -3.841 -9.824 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.508 -5.170 -9.720 1.00 0.00 C ATOM 0 H ILE A 33 2.448 -2.305 -12.432 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.199 -3.481 -12.448 1.00 0.00 H new ATOM 0 HB ILE A 33 1.516 -2.594 -10.110 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.345 -5.286 -11.522 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.704 -4.183 -11.617 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.142 -4.273 -8.893 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.881 -3.000 -9.601 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.778 -4.596 -10.381 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.157 -5.995 -10.015 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.090 -4.427 -9.176 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.711 -5.547 -9.079 1.00 0.00 H new ATOM 501 N ASP A 34 -1.660 -1.559 -11.921 1.00 0.00 N ATOM 502 CA ASP A 34 -2.620 -0.510 -11.594 1.00 0.00 C ATOM 503 C ASP A 34 -3.143 -0.724 -10.178 1.00 0.00 C ATOM 504 O ASP A 34 -3.854 -1.700 -9.934 1.00 0.00 O ATOM 505 CB ASP A 34 -3.763 -0.541 -12.620 1.00 0.00 C ATOM 506 CG ASP A 34 -4.845 0.504 -12.359 1.00 0.00 C ATOM 507 OD1 ASP A 34 -4.710 1.264 -11.375 1.00 0.00 O ATOM 508 OD2 ASP A 34 -5.799 0.529 -13.166 1.00 0.00 O ATOM 0 H ASP A 34 -2.093 -2.380 -12.344 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.142 0.469 -11.635 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.350 -0.384 -13.617 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.217 -1.532 -12.616 1.00 0.00 H new ATOM 513 N ILE A 35 -2.780 0.161 -9.241 1.00 0.00 N ATOM 514 CA ILE A 35 -3.364 0.195 -7.912 1.00 0.00 C ATOM 515 C ILE A 35 -3.629 1.666 -7.563 1.00 0.00 C ATOM 516 O ILE A 35 -2.961 2.537 -8.120 1.00 0.00 O ATOM 517 CB ILE A 35 -2.440 -0.523 -6.906 1.00 0.00 C ATOM 518 CG1 ILE A 35 -1.268 0.355 -6.447 1.00 0.00 C ATOM 519 CG2 ILE A 35 -1.919 -1.857 -7.447 1.00 0.00 C ATOM 520 CD1 ILE A 35 -0.355 -0.374 -5.457 1.00 0.00 C ATOM 0 H ILE A 35 -2.067 0.875 -9.394 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.311 -0.342 -7.871 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.063 -0.728 -6.035 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.686 0.665 -7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.655 1.262 -5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.274 -2.324 -6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.760 -2.516 -7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.352 -1.682 -8.361 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.460 0.286 -5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.929 -0.661 -4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.055 -1.267 -5.929 1.00 0.00 H new ATOM 532 N PRO A 36 -4.581 1.974 -6.664 1.00 0.00 N ATOM 533 CA PRO A 36 -4.956 3.345 -6.359 1.00 0.00 C ATOM 534 C PRO A 36 -3.770 4.180 -5.855 1.00 0.00 C ATOM 535 O PRO A 36 -3.275 3.944 -4.756 1.00 0.00 O ATOM 536 CB PRO A 36 -6.102 3.270 -5.343 1.00 0.00 C ATOM 537 CG PRO A 36 -6.179 1.812 -4.901 1.00 0.00 C ATOM 538 CD PRO A 36 -5.463 1.034 -5.998 1.00 0.00 C ATOM 0 HA PRO A 36 -5.283 3.863 -7.261 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.913 3.926 -4.493 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.042 3.592 -5.791 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.698 1.666 -3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.213 1.485 -4.795 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.897 0.203 -5.577 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -6.179 0.609 -6.702 1.00 0.00 H new ATOM 546 N TYR A 37 -3.324 5.139 -6.678 1.00 0.00 N ATOM 547 CA TYR A 37 -2.168 6.001 -6.421 1.00 0.00 C ATOM 548 C TYR A 37 -2.306 7.400 -7.038 1.00 0.00 C ATOM 549 O TYR A 37 -1.567 8.309 -6.663 1.00 0.00 O ATOM 550 CB TYR A 37 -0.921 5.333 -7.015 1.00 0.00 C ATOM 551 CG TYR A 37 0.365 6.145 -6.939 1.00 0.00 C ATOM 552 CD1 TYR A 37 0.800 6.701 -5.719 1.00 0.00 C ATOM 553 CD2 TYR A 37 1.066 6.449 -8.121 1.00 0.00 C ATOM 554 CE1 TYR A 37 1.928 7.539 -5.685 1.00 0.00 C ATOM 555 CE2 TYR A 37 2.230 7.235 -8.076 1.00 0.00 C ATOM 556 CZ TYR A 37 2.678 7.759 -6.852 1.00 0.00 C ATOM 557 OH TYR A 37 3.785 8.553 -6.809 1.00 0.00 O ATOM 0 H TYR A 37 -3.775 5.341 -7.570 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.094 6.127 -5.341 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.761 4.385 -6.502 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.120 5.100 -8.061 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.265 6.482 -4.807 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.707 6.076 -9.069 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.219 8.015 -4.760 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.781 7.436 -8.983 1.00 0.00 H new ATOM 0 HH TYR A 37 4.544 8.077 -7.206 1.00 0.00 H new ATOM 567 N SER A 38 -3.176 7.571 -8.039 1.00 0.00 N ATOM 568 CA SER A 38 -3.199 8.735 -8.911 1.00 0.00 C ATOM 569 C SER A 38 -3.718 9.977 -8.177 1.00 0.00 C ATOM 570 O SER A 38 -4.854 10.393 -8.399 1.00 0.00 O ATOM 571 CB SER A 38 -4.061 8.371 -10.123 1.00 0.00 C ATOM 572 OG SER A 38 -5.283 7.828 -9.663 1.00 0.00 O ATOM 0 H SER A 38 -3.897 6.885 -8.265 1.00 0.00 H new ATOM 0 HA SER A 38 -2.192 8.994 -9.237 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.246 9.254 -10.734 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.541 7.650 -10.754 1.00 0.00 H new ATOM 0 HG SER A 38 -5.719 8.467 -9.061 1.00 0.00 H new ATOM 578 N CYS A 39 -2.866 10.539 -7.318 1.00 0.00 N ATOM 579 CA CYS A 39 -3.174 11.543 -6.312 1.00 0.00 C ATOM 580 C CYS A 39 -1.857 12.259 -5.969 1.00 0.00 C ATOM 581 O CYS A 39 -1.597 13.363 -6.445 1.00 0.00 O ATOM 582 CB CYS A 39 -3.685 10.825 -5.085 1.00 0.00 C ATOM 583 SG CYS A 39 -5.319 11.093 -4.417 1.00 0.00 S ATOM 0 H CYS A 39 -1.878 10.284 -7.311 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.919 12.257 -6.663 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.607 9.758 -5.295 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.982 11.044 -4.282 1.00 0.00 H new ATOM 588 N ARG A 40 -1.018 11.585 -5.164 1.00 0.00 N ATOM 589 CA ARG A 40 0.241 12.039 -4.598 1.00 0.00 C ATOM 590 C ARG A 40 0.111 13.285 -3.703 1.00 0.00 C ATOM 591 O ARG A 40 0.218 14.396 -4.217 1.00 0.00 O ATOM 592 CB ARG A 40 1.268 12.215 -5.724 1.00 0.00 C ATOM 593 CG ARG A 40 2.640 12.645 -5.194 1.00 0.00 C ATOM 594 CD ARG A 40 3.682 12.516 -6.312 1.00 0.00 C ATOM 595 NE ARG A 40 4.671 13.604 -6.271 1.00 0.00 N ATOM 596 CZ ARG A 40 4.443 14.850 -6.721 1.00 0.00 C ATOM 597 NH1 ARG A 40 3.216 15.194 -7.126 1.00 0.00 N ATOM 598 NH2 ARG A 40 5.440 15.741 -6.765 1.00 0.00 N ATOM 0 H ARG A 40 -1.231 10.630 -4.875 1.00 0.00 H new ATOM 0 HA ARG A 40 0.596 11.268 -3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.369 11.278 -6.271 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.904 12.960 -6.432 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.598 13.674 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.924 12.025 -4.344 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.193 11.558 -6.222 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.179 12.520 -7.279 1.00 0.00 H new ATOM 0 HE ARG A 40 5.589 13.400 -5.876 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.458 14.512 -7.093 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.038 16.138 -7.468 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.375 15.475 -6.457 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.265 16.686 -7.107 1.00 0.00 H new ATOM 612 N ALA A 41 0.019 13.075 -2.375 1.00 0.00 N ATOM 613 CA ALA A 41 0.378 14.003 -1.285 1.00 0.00 C ATOM 614 C ALA A 41 -0.456 13.786 -0.007 1.00 0.00 C ATOM 615 O ALA A 41 -1.104 14.727 0.441 1.00 0.00 O ATOM 616 CB ALA A 41 0.362 15.486 -1.698 1.00 0.00 C ATOM 0 H ALA A 41 -0.333 12.190 -2.010 1.00 0.00 H new ATOM 0 HA ALA A 41 1.413 13.751 -1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.636 16.105 -0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.076 15.646 -2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.637 15.758 -2.037 1.00 0.00 H new ATOM 622 N GLY A 42 -0.344 12.599 0.612 1.00 0.00 N ATOM 623 CA GLY A 42 -0.905 12.150 1.901 1.00 0.00 C ATOM 624 C GLY A 42 -2.265 12.749 2.338 1.00 0.00 C ATOM 625 O GLY A 42 -3.262 12.042 2.465 1.00 0.00 O ATOM 0 H GLY A 42 0.198 11.851 0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.012 11.066 1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.175 12.370 2.680 1.00 0.00 H new ATOM 629 N SER A 43 -2.332 14.056 2.605 1.00 0.00 N ATOM 630 CA SER A 43 -3.567 14.762 2.933 1.00 0.00 C ATOM 631 C SER A 43 -4.319 15.131 1.645 1.00 0.00 C ATOM 632 O SER A 43 -4.529 16.317 1.381 1.00 0.00 O ATOM 633 CB SER A 43 -3.215 16.005 3.767 1.00 0.00 C ATOM 634 OG SER A 43 -4.363 16.785 4.037 1.00 0.00 O ATOM 0 H SER A 43 -1.512 14.662 2.598 1.00 0.00 H new ATOM 0 HA SER A 43 -4.228 14.124 3.521 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.753 15.697 4.705 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.481 16.608 3.233 1.00 0.00 H new ATOM 0 HG SER A 43 -4.883 16.898 3.214 1.00 0.00 H new ATOM 640 N CYS A 44 -4.733 14.129 0.865 1.00 0.00 N ATOM 641 CA CYS A 44 -5.273 14.297 -0.486 1.00 0.00 C ATOM 642 C CYS A 44 -6.746 13.887 -0.583 1.00 0.00 C ATOM 643 O CYS A 44 -7.598 14.734 -0.857 1.00 0.00 O ATOM 644 CB CYS A 44 -4.408 13.574 -1.494 1.00 0.00 C ATOM 645 SG CYS A 44 -3.678 12.022 -0.924 1.00 0.00 S ATOM 0 H CYS A 44 -4.701 13.154 1.163 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.247 15.360 -0.724 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.008 13.369 -2.380 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.603 14.242 -1.801 1.00 0.00 H new ATOM 650 N SER A 45 -7.077 12.602 -0.430 1.00 0.00 N ATOM 651 CA SER A 45 -8.454 12.121 -0.556 1.00 0.00 C ATOM 652 C SER A 45 -8.703 10.937 0.386 1.00 0.00 C ATOM 653 O SER A 45 -8.827 11.142 1.592 1.00 0.00 O ATOM 654 CB SER A 45 -8.782 11.842 -2.034 1.00 0.00 C ATOM 655 OG SER A 45 -8.887 13.068 -2.736 1.00 0.00 O ATOM 0 H SER A 45 -6.401 11.869 -0.216 1.00 0.00 H new ATOM 0 HA SER A 45 -9.153 12.894 -0.235 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.004 11.222 -2.479 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.716 11.286 -2.111 1.00 0.00 H new ATOM 0 HG SER A 45 -8.608 13.804 -2.152 1.00 0.00 H new ATOM 661 N SER A 46 -8.806 9.714 -0.136 1.00 0.00 N ATOM 662 CA SER A 46 -8.826 8.493 0.647 1.00 0.00 C ATOM 663 C SER A 46 -8.296 7.391 -0.269 1.00 0.00 C ATOM 664 O SER A 46 -8.764 7.292 -1.401 1.00 0.00 O ATOM 665 CB SER A 46 -10.259 8.200 1.113 1.00 0.00 C ATOM 666 OG SER A 46 -10.305 7.034 1.917 1.00 0.00 O ATOM 0 H SER A 46 -8.879 9.549 -1.140 1.00 0.00 H new ATOM 0 HA SER A 46 -8.211 8.569 1.544 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.642 9.050 1.677 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.908 8.074 0.246 1.00 0.00 H new ATOM 0 HG SER A 46 -11.221 6.688 1.939 1.00 0.00 H new ATOM 672 N CYS A 47 -7.323 6.601 0.199 1.00 0.00 N ATOM 673 CA CYS A 47 -6.862 5.371 -0.428 1.00 0.00 C ATOM 674 C CYS A 47 -6.088 4.564 0.622 1.00 0.00 C ATOM 675 O CYS A 47 -5.565 5.153 1.568 1.00 0.00 O ATOM 676 CB CYS A 47 -6.063 5.627 -1.686 1.00 0.00 C ATOM 677 SG CYS A 47 -4.322 6.109 -1.537 1.00 0.00 S ATOM 0 H CYS A 47 -6.819 6.815 1.060 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.718 4.787 -0.767 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.103 4.722 -2.292 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.574 6.409 -2.247 1.00 0.00 H new ATOM 682 N ALA A 48 -6.084 3.227 0.515 1.00 0.00 N ATOM 683 CA ALA A 48 -5.463 2.318 1.480 1.00 0.00 C ATOM 684 C ALA A 48 -5.507 0.883 0.958 1.00 0.00 C ATOM 685 O ALA A 48 -6.134 0.606 -0.071 1.00 0.00 O ATOM 686 CB ALA A 48 -6.169 2.411 2.835 1.00 0.00 C ATOM 0 H ALA A 48 -6.524 2.740 -0.265 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.422 2.612 1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.694 1.729 3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.098 3.431 3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.218 2.140 2.718 1.00 0.00 H new ATOM 692 N GLY A 49 -4.869 -0.027 1.703 1.00 0.00 N ATOM 693 CA GLY A 49 -4.907 -1.465 1.514 1.00 0.00 C ATOM 694 C GLY A 49 -4.898 -2.204 2.860 1.00 0.00 C ATOM 695 O GLY A 49 -4.438 -1.645 3.847 1.00 0.00 O ATOM 0 H GLY A 49 -4.284 0.244 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.801 -1.737 0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.050 -1.779 0.919 1.00 0.00 H new ATOM 699 N LYS A 50 -5.403 -3.442 2.917 1.00 0.00 N ATOM 700 CA LYS A 50 -5.507 -4.261 4.122 1.00 0.00 C ATOM 701 C LYS A 50 -4.209 -5.043 4.338 1.00 0.00 C ATOM 702 O LYS A 50 -3.793 -5.755 3.436 1.00 0.00 O ATOM 703 CB LYS A 50 -6.654 -5.262 3.917 1.00 0.00 C ATOM 704 CG LYS A 50 -7.099 -5.926 5.225 1.00 0.00 C ATOM 705 CD LYS A 50 -8.575 -5.627 5.480 1.00 0.00 C ATOM 706 CE LYS A 50 -8.858 -5.625 6.988 1.00 0.00 C ATOM 707 NZ LYS A 50 -10.290 -5.412 7.280 1.00 0.00 N ATOM 0 H LYS A 50 -5.764 -3.916 2.089 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.690 -3.624 4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.504 -4.748 3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.338 -6.031 3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.941 -7.003 5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.495 -5.558 6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.838 -4.660 5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.196 -6.374 4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.537 -6.573 7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.270 -4.842 7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.427 -5.333 8.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.612 -4.537 6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.841 -6.216 6.919 1.00 0.00 H new ATOM 721 N VAL A 51 -3.570 -4.968 5.504 1.00 0.00 N ATOM 722 CA VAL A 51 -2.374 -5.739 5.813 1.00 0.00 C ATOM 723 C VAL A 51 -2.769 -7.194 6.049 1.00 0.00 C ATOM 724 O VAL A 51 -3.661 -7.459 6.851 1.00 0.00 O ATOM 725 CB VAL A 51 -1.678 -5.161 7.065 1.00 0.00 C ATOM 726 CG1 VAL A 51 -0.294 -5.774 7.306 1.00 0.00 C ATOM 727 CG2 VAL A 51 -1.452 -3.665 6.886 1.00 0.00 C ATOM 0 H VAL A 51 -3.874 -4.363 6.267 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.676 -5.684 4.978 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.333 -5.388 7.906 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.149 -5.332 8.198 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.392 -6.851 7.445 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.346 -5.576 6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.961 -3.263 7.772 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.822 -3.494 6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.411 -3.166 6.745 1.00 0.00 H new ATOM 737 N VAL A 52 -2.104 -8.128 5.364 1.00 0.00 N ATOM 738 CA VAL A 52 -2.306 -9.558 5.558 1.00 0.00 C ATOM 739 C VAL A 52 -1.094 -10.165 6.269 1.00 0.00 C ATOM 740 O VAL A 52 -1.265 -10.963 7.188 1.00 0.00 O ATOM 741 CB VAL A 52 -2.591 -10.211 4.201 1.00 0.00 C ATOM 742 CG1 VAL A 52 -2.721 -11.736 4.304 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.875 -9.632 3.594 1.00 0.00 C ATOM 0 H VAL A 52 -1.406 -7.907 4.654 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.168 -9.742 6.199 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.740 -9.991 3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.923 -12.151 3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.792 -12.155 4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.541 -11.987 4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.067 -10.104 2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.713 -9.823 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.759 -8.557 3.455 1.00 0.00 H new ATOM 753 N SER A 53 0.131 -9.809 5.864 1.00 0.00 N ATOM 754 CA SER A 53 1.341 -10.248 6.557 1.00 0.00 C ATOM 755 C SER A 53 2.496 -9.308 6.222 1.00 0.00 C ATOM 756 O SER A 53 2.357 -8.453 5.352 1.00 0.00 O ATOM 757 CB SER A 53 1.685 -11.699 6.197 1.00 0.00 C ATOM 758 OG SER A 53 2.749 -12.154 7.014 1.00 0.00 O ATOM 0 H SER A 53 0.307 -9.214 5.054 1.00 0.00 H new ATOM 0 HA SER A 53 1.164 -10.214 7.632 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.811 -12.335 6.334 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.966 -11.766 5.146 1.00 0.00 H new ATOM 0 HG SER A 53 2.965 -13.081 6.783 1.00 0.00 H new ATOM 764 N GLY A 54 3.630 -9.491 6.902 1.00 0.00 N ATOM 765 CA GLY A 54 4.786 -8.608 6.830 1.00 0.00 C ATOM 766 C GLY A 54 4.479 -7.238 7.430 1.00 0.00 C ATOM 767 O GLY A 54 3.518 -7.082 8.186 1.00 0.00 O ATOM 0 H GLY A 54 3.769 -10.280 7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.624 -9.060 7.361 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.092 -8.491 5.790 1.00 0.00 H new ATOM 771 N SER A 55 5.290 -6.225 7.108 1.00 0.00 N ATOM 772 CA SER A 55 5.061 -4.855 7.520 1.00 0.00 C ATOM 773 C SER A 55 5.774 -3.924 6.545 1.00 0.00 C ATOM 774 O SER A 55 6.720 -4.334 5.869 1.00 0.00 O ATOM 775 CB SER A 55 5.596 -4.622 8.935 1.00 0.00 C ATOM 776 OG SER A 55 5.055 -5.541 9.865 1.00 0.00 O ATOM 0 H SER A 55 6.133 -6.345 6.546 1.00 0.00 H new ATOM 0 HA SER A 55 3.990 -4.654 7.519 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.683 -4.708 8.930 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.358 -3.606 9.250 1.00 0.00 H new ATOM 0 HG SER A 55 4.361 -6.078 9.429 1.00 0.00 H new ATOM 782 N ILE A 56 5.317 -2.674 6.507 1.00 0.00 N ATOM 783 CA ILE A 56 5.929 -1.574 5.788 1.00 0.00 C ATOM 784 C ILE A 56 6.041 -0.396 6.758 1.00 0.00 C ATOM 785 O ILE A 56 5.545 -0.489 7.882 1.00 0.00 O ATOM 786 CB ILE A 56 5.043 -1.200 4.590 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.633 -0.794 5.036 1.00 0.00 C ATOM 788 CG2 ILE A 56 4.954 -2.310 3.535 1.00 0.00 C ATOM 789 CD1 ILE A 56 3.067 0.159 3.987 1.00 0.00 C ATOM 0 H ILE A 56 4.470 -2.394 7.002 1.00 0.00 H new ATOM 0 HA ILE A 56 6.916 -1.846 5.415 1.00 0.00 H new ATOM 0 HB ILE A 56 5.531 -0.344 4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.996 -1.673 5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.666 -0.311 6.013 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.314 -1.983 2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.951 -2.528 3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.534 -3.209 3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.062 0.465 4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.707 1.038 3.911 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.027 -0.345 3.021 1.00 0.00 H new ATOM 801 N ASP A 57 6.590 0.726 6.290 1.00 0.00 N ATOM 802 CA ASP A 57 6.504 2.016 6.948 1.00 0.00 C ATOM 803 C ASP A 57 5.667 2.942 6.065 1.00 0.00 C ATOM 804 O ASP A 57 6.023 3.176 4.911 1.00 0.00 O ATOM 805 CB ASP A 57 7.909 2.584 7.156 1.00 0.00 C ATOM 806 CG ASP A 57 7.812 3.921 7.871 1.00 0.00 C ATOM 807 OD1 ASP A 57 7.410 4.894 7.201 1.00 0.00 O ATOM 808 OD2 ASP A 57 8.066 3.942 9.093 1.00 0.00 O ATOM 0 H ASP A 57 7.120 0.756 5.419 1.00 0.00 H new ATOM 0 HA ASP A 57 6.034 1.920 7.927 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.511 1.889 7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.409 2.708 6.195 1.00 0.00 H new ATOM 813 N GLN A 58 4.537 3.429 6.587 1.00 0.00 N ATOM 814 CA GLN A 58 3.751 4.495 5.972 1.00 0.00 C ATOM 815 C GLN A 58 3.864 5.811 6.758 1.00 0.00 C ATOM 816 O GLN A 58 2.904 6.572 6.836 1.00 0.00 O ATOM 817 CB GLN A 58 2.296 4.031 5.825 1.00 0.00 C ATOM 818 CG GLN A 58 1.790 3.406 7.124 1.00 0.00 C ATOM 819 CD GLN A 58 0.279 3.342 7.218 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.176 2.316 7.910 1.00 0.00 O flip ATOM 821 NE2 GLN A 58 -0.460 4.172 6.700 1.00 0.00 N flip ATOM 0 H GLN A 58 4.140 3.086 7.462 1.00 0.00 H new ATOM 0 HA GLN A 58 4.150 4.704 4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.665 4.878 5.554 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.221 3.306 5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.194 2.398 7.214 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.174 3.980 7.967 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.063 4.950 6.173 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.472 4.084 6.796 1.00 0.00 H new ATOM 830 N SER A 59 5.020 6.112 7.352 1.00 0.00 N ATOM 831 CA SER A 59 5.158 7.179 8.340 1.00 0.00 C ATOM 832 C SER A 59 5.273 8.577 7.709 1.00 0.00 C ATOM 833 O SER A 59 5.984 9.422 8.255 1.00 0.00 O ATOM 834 CB SER A 59 6.358 6.866 9.250 1.00 0.00 C ATOM 835 OG SER A 59 6.406 7.776 10.334 1.00 0.00 O ATOM 0 H SER A 59 5.891 5.618 7.159 1.00 0.00 H new ATOM 0 HA SER A 59 4.245 7.209 8.934 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.281 5.846 9.626 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.283 6.925 8.676 1.00 0.00 H new ATOM 0 HG SER A 59 6.261 8.687 10.003 1.00 0.00 H new ATOM 841 N ASP A 60 4.563 8.841 6.606 1.00 0.00 N ATOM 842 CA ASP A 60 4.521 10.148 5.946 1.00 0.00 C ATOM 843 C ASP A 60 3.290 10.224 5.030 1.00 0.00 C ATOM 844 O ASP A 60 3.350 10.677 3.890 1.00 0.00 O ATOM 845 CB ASP A 60 5.837 10.392 5.195 1.00 0.00 C ATOM 846 CG ASP A 60 5.921 11.769 4.548 1.00 0.00 C ATOM 847 OD1 ASP A 60 5.403 12.725 5.165 1.00 0.00 O ATOM 848 OD2 ASP A 60 6.541 11.843 3.463 1.00 0.00 O ATOM 0 H ASP A 60 3.991 8.137 6.139 1.00 0.00 H new ATOM 0 HA ASP A 60 4.422 10.943 6.685 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.669 10.274 5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.953 9.630 4.425 1.00 0.00 H new ATOM 853 N GLN A 61 2.159 9.735 5.544 1.00 0.00 N ATOM 854 CA GLN A 61 0.864 9.690 4.897 1.00 0.00 C ATOM 855 C GLN A 61 -0.063 10.754 5.487 1.00 0.00 C ATOM 856 O GLN A 61 -0.881 11.328 4.779 1.00 0.00 O ATOM 857 CB GLN A 61 0.312 8.254 4.983 1.00 0.00 C ATOM 858 CG GLN A 61 -0.499 7.852 6.226 1.00 0.00 C ATOM 859 CD GLN A 61 0.265 7.829 7.547 1.00 0.00 C ATOM 860 OE1 GLN A 61 1.081 8.703 7.834 1.00 0.00 O ATOM 861 NE2 GLN A 61 -0.049 6.863 8.402 1.00 0.00 N ATOM 0 H GLN A 61 2.131 9.337 6.483 1.00 0.00 H new ATOM 0 HA GLN A 61 0.948 9.935 3.838 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.318 8.088 4.109 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.156 7.569 4.902 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.337 8.541 6.326 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.920 6.861 6.056 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.729 6.150 8.139 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.390 6.834 9.322 1.00 0.00 H new ATOM 870 N SER A 62 0.069 11.039 6.788 1.00 0.00 N ATOM 871 CA SER A 62 -0.686 12.085 7.465 1.00 0.00 C ATOM 872 C SER A 62 -2.187 11.896 7.202 1.00 0.00 C ATOM 873 O SER A 62 -2.892 12.831 6.828 1.00 0.00 O ATOM 874 CB SER A 62 -0.160 13.459 7.012 1.00 0.00 C ATOM 875 OG SER A 62 -0.407 14.454 7.989 1.00 0.00 O ATOM 0 H SER A 62 0.713 10.540 7.402 1.00 0.00 H new ATOM 0 HA SER A 62 -0.550 12.025 8.545 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.911 13.395 6.818 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.637 13.742 6.074 1.00 0.00 H new ATOM 0 HG SER A 62 -0.061 15.315 7.674 1.00 0.00 H new ATOM 881 N PHE A 63 -2.657 10.653 7.359 1.00 0.00 N ATOM 882 CA PHE A 63 -4.014 10.268 7.010 1.00 0.00 C ATOM 883 C PHE A 63 -4.457 9.049 7.821 1.00 0.00 C ATOM 884 O PHE A 63 -5.301 9.224 8.694 1.00 0.00 O ATOM 885 CB PHE A 63 -4.164 10.075 5.494 1.00 0.00 C ATOM 886 CG PHE A 63 -5.448 9.396 5.052 1.00 0.00 C ATOM 887 CD1 PHE A 63 -6.680 9.674 5.684 1.00 0.00 C ATOM 888 CD2 PHE A 63 -5.391 8.418 4.044 1.00 0.00 C ATOM 889 CE1 PHE A 63 -7.836 8.963 5.320 1.00 0.00 C ATOM 890 CE2 PHE A 63 -6.533 7.667 3.732 1.00 0.00 C ATOM 891 CZ PHE A 63 -7.760 7.961 4.344 1.00 0.00 C ATOM 0 H PHE A 63 -2.097 9.888 7.734 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.689 11.081 7.278 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.104 11.051 5.012 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.319 9.488 5.133 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.734 10.435 6.449 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.468 8.245 3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.781 9.189 5.792 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.468 6.859 3.018 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.648 7.414 4.062 1.00 0.00 H new ATOM 901 N LEU A 64 -3.941 7.836 7.551 1.00 0.00 N ATOM 902 CA LEU A 64 -4.520 6.660 8.185 1.00 0.00 C ATOM 903 C LEU A 64 -4.471 6.779 9.702 1.00 0.00 C ATOM 904 O LEU A 64 -3.447 7.174 10.262 1.00 0.00 O ATOM 905 CB LEU A 64 -3.875 5.324 7.785 1.00 0.00 C ATOM 906 CG LEU A 64 -4.289 4.800 6.401 1.00 0.00 C ATOM 907 CD1 LEU A 64 -3.481 5.411 5.251 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.116 3.277 6.404 1.00 0.00 C ATOM 0 H LEU A 64 -3.157 7.657 6.924 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.547 6.640 7.821 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.791 5.439 7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.131 4.574 8.534 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.325 5.089 6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.826 4.997 4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.617 6.492 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.424 5.179 5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.403 2.876 5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.074 3.030 6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.748 2.841 7.177 1.00 0.00 H new ATOM 920 N ASP A 65 -5.572 6.414 10.352 1.00 0.00 N ATOM 921 CA ASP A 65 -5.691 6.552 11.792 1.00 0.00 C ATOM 922 C ASP A 65 -5.036 5.368 12.491 1.00 0.00 C ATOM 923 O ASP A 65 -4.807 4.318 11.883 1.00 0.00 O ATOM 924 CB ASP A 65 -7.160 6.673 12.207 1.00 0.00 C ATOM 925 CG ASP A 65 -7.884 7.791 11.474 1.00 0.00 C ATOM 926 OD1 ASP A 65 -8.377 7.497 10.363 1.00 0.00 O ATOM 927 OD2 ASP A 65 -7.934 8.906 12.037 1.00 0.00 O ATOM 0 H ASP A 65 -6.396 6.019 9.898 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.177 7.465 12.093 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.668 5.728 12.013 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.217 6.851 13.281 1.00 0.00 H new ATOM 932 N ASP A 66 -4.791 5.525 13.794 1.00 0.00 N ATOM 933 CA ASP A 66 -4.290 4.460 14.652 1.00 0.00 C ATOM 934 C ASP A 66 -5.197 3.246 14.490 1.00 0.00 C ATOM 935 O ASP A 66 -4.722 2.124 14.336 1.00 0.00 O ATOM 936 CB ASP A 66 -4.275 4.918 16.116 1.00 0.00 C ATOM 937 CG ASP A 66 -3.267 6.031 16.357 1.00 0.00 C ATOM 938 OD1 ASP A 66 -2.062 5.706 16.421 1.00 0.00 O ATOM 939 OD2 ASP A 66 -3.724 7.189 16.461 1.00 0.00 O ATOM 0 H ASP A 66 -4.938 6.407 14.284 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.269 4.204 14.368 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.270 5.263 16.398 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.038 4.070 16.758 1.00 0.00 H new ATOM 944 N GLU A 67 -6.508 3.504 14.486 1.00 0.00 N ATOM 945 CA GLU A 67 -7.536 2.500 14.313 1.00 0.00 C ATOM 946 C GLU A 67 -7.260 1.693 13.054 1.00 0.00 C ATOM 947 O GLU A 67 -7.066 0.489 13.124 1.00 0.00 O ATOM 948 CB GLU A 67 -8.931 3.140 14.244 1.00 0.00 C ATOM 949 CG GLU A 67 -9.047 4.468 14.991 1.00 0.00 C ATOM 950 CD GLU A 67 -10.502 4.792 15.314 1.00 0.00 C ATOM 951 OE1 GLU A 67 -11.339 4.598 14.405 1.00 0.00 O ATOM 952 OE2 GLU A 67 -10.755 5.196 16.469 1.00 0.00 O ATOM 0 H GLU A 67 -6.883 4.445 14.607 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.517 1.835 15.177 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.194 3.300 13.198 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.660 2.441 14.653 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.468 4.421 15.914 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.619 5.267 14.386 1.00 0.00 H new ATOM 959 N GLN A 68 -7.245 2.355 11.896 1.00 0.00 N ATOM 960 CA GLN A 68 -7.014 1.712 10.615 1.00 0.00 C ATOM 961 C GLN A 68 -5.710 0.910 10.627 1.00 0.00 C ATOM 962 O GLN A 68 -5.698 -0.259 10.241 1.00 0.00 O ATOM 963 CB GLN A 68 -7.024 2.771 9.519 1.00 0.00 C ATOM 964 CG GLN A 68 -8.404 3.415 9.416 1.00 0.00 C ATOM 965 CD GLN A 68 -8.369 4.653 8.550 1.00 0.00 C ATOM 966 OE1 GLN A 68 -7.306 5.165 8.223 1.00 0.00 O ATOM 967 NE2 GLN A 68 -9.532 5.111 8.130 1.00 0.00 N ATOM 0 H GLN A 68 -7.395 3.362 11.827 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.813 0.997 10.416 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.275 3.533 9.734 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.754 2.319 8.565 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.112 2.698 9.001 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.761 3.675 10.412 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.396 4.656 8.425 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.568 5.920 7.510 1.00 0.00 H new ATOM 976 N MET A 69 -4.605 1.511 11.075 1.00 0.00 N ATOM 977 CA MET A 69 -3.352 0.782 11.170 1.00 0.00 C ATOM 978 C MET A 69 -3.503 -0.496 12.001 1.00 0.00 C ATOM 979 O MET A 69 -3.275 -1.589 11.482 1.00 0.00 O ATOM 980 CB MET A 69 -2.243 1.687 11.696 1.00 0.00 C ATOM 981 CG MET A 69 -1.957 2.856 10.755 1.00 0.00 C ATOM 982 SD MET A 69 -0.417 3.728 11.142 1.00 0.00 S ATOM 983 CE MET A 69 -1.047 5.411 11.177 1.00 0.00 C ATOM 0 H MET A 69 -4.558 2.486 11.372 1.00 0.00 H new ATOM 0 HA MET A 69 -3.067 0.464 10.167 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.525 2.072 12.676 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.333 1.102 11.833 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.909 2.486 9.731 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.787 3.561 10.800 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.217 6.108 11.297 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.568 5.624 10.243 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.739 5.523 12.012 1.00 0.00 H new ATOM 993 N ASP A 70 -3.925 -0.366 13.262 1.00 0.00 N ATOM 994 CA ASP A 70 -4.112 -1.481 14.190 1.00 0.00 C ATOM 995 C ASP A 70 -5.036 -2.540 13.584 1.00 0.00 C ATOM 996 O ASP A 70 -4.774 -3.740 13.629 1.00 0.00 O ATOM 997 CB ASP A 70 -4.713 -0.950 15.495 1.00 0.00 C ATOM 998 CG ASP A 70 -4.880 -2.073 16.508 1.00 0.00 C ATOM 999 OD1 ASP A 70 -3.863 -2.413 17.149 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -6.020 -2.572 16.620 1.00 0.00 O ATOM 0 H ASP A 70 -4.151 0.539 13.674 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.146 -1.945 14.389 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.069 -0.174 15.908 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.680 -0.488 15.294 1.00 0.00 H new ATOM 1005 N ALA A 71 -6.108 -2.052 12.962 1.00 0.00 N ATOM 1006 CA ALA A 71 -7.146 -2.836 12.313 1.00 0.00 C ATOM 1007 C ALA A 71 -6.597 -3.633 11.131 1.00 0.00 C ATOM 1008 O ALA A 71 -7.229 -4.594 10.689 1.00 0.00 O ATOM 1009 CB ALA A 71 -8.255 -1.889 11.851 1.00 0.00 C ATOM 0 H ALA A 71 -6.280 -1.049 12.896 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.541 -3.558 13.027 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.042 -2.462 11.361 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.669 -1.366 12.713 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.845 -1.163 11.149 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.440 -3.231 10.602 1.00 0.00 N ATOM 1016 CA GLY A 72 -4.733 -3.928 9.563 1.00 0.00 C ATOM 1017 C GLY A 72 -4.953 -3.191 8.260 1.00 0.00 C ATOM 1018 O GLY A 72 -5.328 -3.825 7.282 1.00 0.00 O ATOM 0 H GLY A 72 -4.966 -2.381 10.906 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.669 -3.978 9.796 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.091 -4.955 9.483 1.00 0.00 H new ATOM 1022 N TYR A 73 -4.717 -1.875 8.226 1.00 0.00 N ATOM 1023 CA TYR A 73 -4.676 -1.097 6.995 1.00 0.00 C ATOM 1024 C TYR A 73 -3.367 -0.321 6.854 1.00 0.00 C ATOM 1025 O TYR A 73 -2.755 0.091 7.835 1.00 0.00 O ATOM 1026 CB TYR A 73 -5.885 -0.179 6.895 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.163 -0.962 6.704 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.532 -1.384 5.415 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -7.981 -1.269 7.804 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -8.766 -2.019 5.213 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.201 -1.935 7.602 1.00 0.00 C ATOM 1032 CZ TYR A 73 -9.622 -2.257 6.301 1.00 0.00 C ATOM 1033 OH TYR A 73 -10.745 -3.015 6.134 1.00 0.00 O ATOM 0 H TYR A 73 -4.548 -1.319 9.064 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.717 -1.798 6.161 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.959 0.425 7.799 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.752 0.510 6.061 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.866 -1.219 4.581 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.673 -0.994 8.802 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.059 -2.325 4.220 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.817 -2.200 8.449 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.749 -3.400 5.233 1.00 0.00 H new ATOM 1043 N VAL A 74 -2.905 -0.165 5.614 1.00 0.00 N ATOM 1044 CA VAL A 74 -1.571 0.304 5.284 1.00 0.00 C ATOM 1045 C VAL A 74 -1.550 0.570 3.791 1.00 0.00 C ATOM 1046 O VAL A 74 -2.556 0.382 3.108 1.00 0.00 O ATOM 1047 CB VAL A 74 -0.533 -0.774 5.682 1.00 0.00 C ATOM 1048 CG1 VAL A 74 0.028 -1.679 4.571 1.00 0.00 C ATOM 1049 CG2 VAL A 74 0.577 -0.287 6.609 1.00 0.00 C ATOM 0 H VAL A 74 -3.471 -0.369 4.790 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.317 1.216 5.825 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.184 -1.434 6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.742 -2.382 5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.788 -2.230 4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.529 -1.067 3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.254 -1.112 6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.131 0.516 6.123 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.140 0.084 7.536 1.00 0.00 H new ATOM 1059 N LEU A 75 -0.367 0.921 3.297 1.00 0.00 N ATOM 1060 CA LEU A 75 -0.069 1.055 1.888 1.00 0.00 C ATOM 1061 C LEU A 75 -0.682 2.356 1.407 1.00 0.00 C ATOM 1062 O LEU A 75 -1.497 2.948 2.111 1.00 0.00 O ATOM 1063 CB LEU A 75 -0.565 -0.154 1.072 1.00 0.00 C ATOM 1064 CG LEU A 75 0.342 -0.472 -0.130 1.00 0.00 C ATOM 1065 CD1 LEU A 75 1.574 -1.247 0.342 1.00 0.00 C ATOM 1066 CD2 LEU A 75 -0.399 -1.267 -1.207 1.00 0.00 C ATOM 0 H LEU A 75 0.434 1.126 3.894 1.00 0.00 H new ATOM 0 HA LEU A 75 1.011 1.078 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.620 -1.028 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.576 0.043 0.717 1.00 0.00 H new ATOM 0 HG LEU A 75 0.652 0.474 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.213 -1.470 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.128 -0.646 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.260 -2.179 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.276 -1.471 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.751 -2.209 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.251 -0.688 -1.565 1.00 0.00 H new ATOM 1078 N THR A 76 -0.279 2.766 0.208 1.00 0.00 N ATOM 1079 CA THR A 76 -0.823 3.921 -0.467 1.00 0.00 C ATOM 1080 C THR A 76 -0.524 5.204 0.310 1.00 0.00 C ATOM 1081 O THR A 76 0.057 5.149 1.392 1.00 0.00 O ATOM 1082 CB THR A 76 -2.295 3.684 -0.849 1.00 0.00 C ATOM 1083 OG1 THR A 76 -3.139 3.991 0.229 1.00 0.00 O ATOM 1084 CG2 THR A 76 -2.643 2.239 -1.232 1.00 0.00 C ATOM 0 H THR A 76 0.449 2.290 -0.325 1.00 0.00 H new ATOM 0 HA THR A 76 -0.319 4.072 -1.421 1.00 0.00 H new ATOM 0 HB THR A 76 -2.440 4.327 -1.717 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.522 4.884 0.101 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.701 2.174 -1.484 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.046 1.937 -2.092 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.429 1.578 -0.392 1.00 0.00 H new ATOM 1092 N CYS A 77 -0.801 6.366 -0.292 1.00 0.00 N ATOM 1093 CA CYS A 77 -0.623 7.661 0.359 1.00 0.00 C ATOM 1094 C CYS A 77 0.798 7.862 0.962 1.00 0.00 C ATOM 1095 O CYS A 77 0.976 8.731 1.805 1.00 0.00 O ATOM 1096 CB CYS A 77 -1.765 7.844 1.350 1.00 0.00 C ATOM 1097 SG CYS A 77 -3.070 9.026 0.921 1.00 0.00 S ATOM 0 H CYS A 77 -1.155 6.431 -1.246 1.00 0.00 H new ATOM 0 HA CYS A 77 -0.674 8.459 -0.382 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.232 6.872 1.508 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.336 8.150 2.304 1.00 0.00 H new ATOM 1102 N HIS A 78 1.811 7.113 0.481 1.00 0.00 N ATOM 1103 CA HIS A 78 3.188 6.957 0.991 1.00 0.00 C ATOM 1104 C HIS A 78 3.350 5.622 1.730 1.00 0.00 C ATOM 1105 O HIS A 78 2.731 5.409 2.770 1.00 0.00 O ATOM 1106 CB HIS A 78 3.674 8.116 1.878 1.00 0.00 C ATOM 1107 CG HIS A 78 5.142 8.049 2.231 1.00 0.00 C ATOM 1108 ND1 HIS A 78 6.111 8.924 1.798 1.00 0.00 N ATOM 1109 CD2 HIS A 78 5.740 7.181 3.109 1.00 0.00 C ATOM 1110 CE1 HIS A 78 7.268 8.578 2.383 1.00 0.00 C ATOM 1111 NE2 HIS A 78 7.094 7.513 3.182 1.00 0.00 N ATOM 0 H HIS A 78 1.671 6.547 -0.356 1.00 0.00 H new ATOM 0 HA HIS A 78 3.823 6.971 0.105 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.477 9.058 1.367 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.090 8.125 2.798 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.251 6.383 3.648 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.209 9.086 2.232 1.00 0.00 H new ATOM 0 HE2 HIS A 78 7.810 7.040 3.733 1.00 0.00 H new ATOM 1119 N ALA A 79 4.215 4.730 1.225 1.00 0.00 N ATOM 1120 CA ALA A 79 4.400 3.401 1.796 1.00 0.00 C ATOM 1121 C ALA A 79 5.708 2.754 1.331 1.00 0.00 C ATOM 1122 O ALA A 79 5.825 2.425 0.154 1.00 0.00 O ATOM 1123 CB ALA A 79 3.219 2.535 1.366 1.00 0.00 C ATOM 0 H ALA A 79 4.801 4.915 0.411 1.00 0.00 H new ATOM 0 HA ALA A 79 4.452 3.488 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.332 1.533 1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.292 2.976 1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.188 2.476 0.278 1.00 0.00 H new ATOM 1129 N TYR A 80 6.656 2.532 2.249 1.00 0.00 N ATOM 1130 CA TYR A 80 7.957 1.907 1.989 1.00 0.00 C ATOM 1131 C TYR A 80 7.996 0.474 2.536 1.00 0.00 C ATOM 1132 O TYR A 80 7.776 0.286 3.733 1.00 0.00 O ATOM 1133 CB TYR A 80 9.064 2.724 2.668 1.00 0.00 C ATOM 1134 CG TYR A 80 9.379 4.061 2.023 1.00 0.00 C ATOM 1135 CD1 TYR A 80 9.679 4.133 0.650 1.00 0.00 C ATOM 1136 CD2 TYR A 80 9.502 5.212 2.820 1.00 0.00 C ATOM 1137 CE1 TYR A 80 9.971 5.372 0.055 1.00 0.00 C ATOM 1138 CE2 TYR A 80 9.890 6.432 2.240 1.00 0.00 C ATOM 1139 CZ TYR A 80 10.069 6.523 0.851 1.00 0.00 C ATOM 1140 OH TYR A 80 10.323 7.729 0.269 1.00 0.00 O ATOM 0 H TYR A 80 6.533 2.792 3.228 1.00 0.00 H new ATOM 0 HA TYR A 80 8.112 1.880 0.910 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.778 2.899 3.705 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.975 2.125 2.685 1.00 0.00 H new ATOM 0 HD1 TYR A 80 9.685 3.234 0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 80 9.298 5.159 3.879 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.120 5.438 -1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 80 10.050 7.299 2.863 1.00 0.00 H new ATOM 0 HH TYR A 80 10.359 8.424 0.959 1.00 0.00 H new ATOM 1150 N PRO A 81 8.279 -0.541 1.701 1.00 0.00 N ATOM 1151 CA PRO A 81 8.330 -1.928 2.138 1.00 0.00 C ATOM 1152 C PRO A 81 9.596 -2.209 2.945 1.00 0.00 C ATOM 1153 O PRO A 81 10.694 -2.058 2.426 1.00 0.00 O ATOM 1154 CB PRO A 81 8.267 -2.782 0.869 1.00 0.00 C ATOM 1155 CG PRO A 81 8.554 -1.831 -0.294 1.00 0.00 C ATOM 1156 CD PRO A 81 8.517 -0.417 0.271 1.00 0.00 C ATOM 0 HA PRO A 81 7.498 -2.162 2.802 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.000 -3.588 0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.287 -3.247 0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.527 -2.045 -0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.812 -1.951 -1.083 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.457 0.101 0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.729 0.168 -0.203 1.00 0.00 H new ATOM 1164 N THR A 82 9.468 -2.636 4.203 1.00 0.00 N ATOM 1165 CA THR A 82 10.618 -2.825 5.080 1.00 0.00 C ATOM 1166 C THR A 82 11.049 -4.290 5.159 1.00 0.00 C ATOM 1167 O THR A 82 12.133 -4.593 5.656 1.00 0.00 O ATOM 1168 CB THR A 82 10.272 -2.246 6.453 1.00 0.00 C ATOM 1169 OG1 THR A 82 8.976 -2.664 6.852 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.279 -0.715 6.382 1.00 0.00 C ATOM 0 H THR A 82 8.572 -2.858 4.636 1.00 0.00 H new ATOM 0 HA THR A 82 11.479 -2.296 4.671 1.00 0.00 H new ATOM 0 HB THR A 82 11.012 -2.599 7.171 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.768 -2.288 7.733 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.032 -0.304 7.361 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.268 -0.369 6.082 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.541 -0.381 5.652 1.00 0.00 H new ATOM 1178 N SER A 83 10.212 -5.208 4.674 1.00 0.00 N ATOM 1179 CA SER A 83 10.509 -6.623 4.523 1.00 0.00 C ATOM 1180 C SER A 83 9.575 -7.142 3.438 1.00 0.00 C ATOM 1181 O SER A 83 8.856 -6.348 2.827 1.00 0.00 O ATOM 1182 CB SER A 83 10.289 -7.360 5.854 1.00 0.00 C ATOM 1183 OG SER A 83 11.068 -6.788 6.889 1.00 0.00 O ATOM 0 H SER A 83 9.270 -4.970 4.364 1.00 0.00 H new ATOM 0 HA SER A 83 11.550 -6.789 4.244 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.234 -7.321 6.125 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.549 -8.412 5.738 1.00 0.00 H new ATOM 0 HG SER A 83 10.909 -7.274 7.725 1.00 0.00 H new ATOM 1189 N ASP A 84 9.563 -8.454 3.206 1.00 0.00 N ATOM 1190 CA ASP A 84 8.494 -9.091 2.463 1.00 0.00 C ATOM 1191 C ASP A 84 7.167 -8.768 3.150 1.00 0.00 C ATOM 1192 O ASP A 84 7.108 -8.621 4.371 1.00 0.00 O ATOM 1193 CB ASP A 84 8.741 -10.603 2.379 1.00 0.00 C ATOM 1194 CG ASP A 84 8.930 -11.223 3.757 1.00 0.00 C ATOM 1195 OD1 ASP A 84 9.890 -10.780 4.433 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.128 -12.116 4.100 1.00 0.00 O ATOM 0 H ASP A 84 10.290 -9.094 3.527 1.00 0.00 H new ATOM 0 HA ASP A 84 8.460 -8.714 1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.900 -11.081 1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.625 -10.794 1.770 1.00 0.00 H new ATOM 1201 N VAL A 85 6.120 -8.582 2.347 1.00 0.00 N ATOM 1202 CA VAL A 85 4.826 -8.114 2.835 1.00 0.00 C ATOM 1203 C VAL A 85 3.682 -8.575 1.933 1.00 0.00 C ATOM 1204 O VAL A 85 3.870 -8.834 0.743 1.00 0.00 O ATOM 1205 CB VAL A 85 4.876 -6.591 3.110 1.00 0.00 C ATOM 1206 CG1 VAL A 85 5.462 -5.816 1.930 1.00 0.00 C ATOM 1207 CG2 VAL A 85 3.521 -5.969 3.469 1.00 0.00 C ATOM 0 H VAL A 85 6.146 -8.752 1.342 1.00 0.00 H new ATOM 0 HA VAL A 85 4.607 -8.579 3.796 1.00 0.00 H new ATOM 0 HB VAL A 85 5.525 -6.505 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.478 -4.752 2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.478 -6.161 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.848 -5.982 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.646 -4.901 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.822 -6.121 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.131 -6.442 4.370 1.00 0.00 H new ATOM 1217 N VAL A 86 2.491 -8.732 2.520 1.00 0.00 N ATOM 1218 CA VAL A 86 1.302 -9.209 1.837 1.00 0.00 C ATOM 1219 C VAL A 86 0.161 -8.305 2.277 1.00 0.00 C ATOM 1220 O VAL A 86 -0.030 -8.101 3.479 1.00 0.00 O ATOM 1221 CB VAL A 86 1.010 -10.673 2.202 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.159 -11.194 1.355 1.00 0.00 C ATOM 1223 CG2 VAL A 86 2.243 -11.557 1.967 1.00 0.00 C ATOM 0 H VAL A 86 2.332 -8.524 3.506 1.00 0.00 H new ATOM 0 HA VAL A 86 1.434 -9.177 0.755 1.00 0.00 H new ATOM 0 HB VAL A 86 0.750 -10.715 3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.363 -12.232 1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.046 -10.590 1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.101 -11.130 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.008 -12.587 2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.529 -11.510 0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.068 -11.202 2.584 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.564 -7.735 1.315 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.493 -6.652 1.568 1.00 0.00 C ATOM 1235 C ILE A 87 -2.550 -6.645 0.450 1.00 0.00 C ATOM 1236 O ILE A 87 -2.221 -6.923 -0.701 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.644 -5.364 1.699 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.351 -4.059 2.030 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.303 -5.159 0.509 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -2.224 -3.593 0.891 1.00 0.00 C ATOM 0 H ILE A 87 -0.518 -8.018 0.336 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.062 -6.753 2.492 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.084 -5.590 2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.960 -4.192 2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.611 -3.292 2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.874 -4.242 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.987 -6.005 0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.278 -5.085 -0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.712 -2.658 1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.611 -3.435 0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.981 -4.349 0.680 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.819 -6.367 0.764 1.00 0.00 N ATOM 1253 CA GLU A 88 -4.891 -6.246 -0.223 1.00 0.00 C ATOM 1254 C GLU A 88 -5.096 -4.790 -0.624 1.00 0.00 C ATOM 1255 O GLU A 88 -5.480 -3.976 0.211 1.00 0.00 O ATOM 1256 CB GLU A 88 -6.226 -6.731 0.325 1.00 0.00 C ATOM 1257 CG GLU A 88 -6.315 -8.070 1.047 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.677 -8.168 1.737 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.685 -7.799 1.086 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.690 -8.511 2.937 1.00 0.00 O ATOM 0 H GLU A 88 -4.132 -6.218 1.723 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.585 -6.856 -1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.590 -5.968 1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.925 -6.767 -0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.191 -8.890 0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.513 -8.158 1.780 1.00 0.00 H new ATOM 1267 N THR A 89 -4.897 -4.459 -1.892 1.00 0.00 N ATOM 1268 CA THR A 89 -5.079 -3.106 -2.394 1.00 0.00 C ATOM 1269 C THR A 89 -6.571 -2.784 -2.580 1.00 0.00 C ATOM 1270 O THR A 89 -7.419 -3.658 -2.415 1.00 0.00 O ATOM 1271 CB THR A 89 -4.297 -3.007 -3.706 1.00 0.00 C ATOM 1272 OG1 THR A 89 -4.617 -4.112 -4.526 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.795 -3.046 -3.442 1.00 0.00 C ATOM 0 H THR A 89 -4.603 -5.126 -2.605 1.00 0.00 H new ATOM 0 HA THR A 89 -4.704 -2.370 -1.683 1.00 0.00 H new ATOM 0 HB THR A 89 -4.563 -2.068 -4.190 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.320 -3.857 -5.159 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.257 -2.974 -4.388 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.516 -2.209 -2.802 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.537 -3.983 -2.948 1.00 0.00 H new ATOM 1281 N HIS A 90 -6.881 -1.537 -2.961 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.233 -1.059 -3.261 1.00 0.00 C ATOM 1283 C HIS A 90 -9.116 -1.055 -2.011 1.00 0.00 C ATOM 1284 O HIS A 90 -10.190 -1.652 -2.013 1.00 0.00 O ATOM 1285 CB HIS A 90 -8.900 -1.841 -4.412 1.00 0.00 C ATOM 1286 CG HIS A 90 -8.193 -1.842 -5.747 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -6.841 -1.979 -5.964 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -8.813 -1.993 -6.958 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.656 -2.237 -7.268 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -7.830 -2.250 -7.915 1.00 0.00 N ATOM 0 H HIS A 90 -6.173 -0.811 -3.072 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.126 -0.030 -3.603 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.019 -2.876 -4.092 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -9.901 -1.436 -4.560 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -9.875 -1.925 -7.141 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.696 -2.410 -7.731 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -7.976 -2.415 -8.911 1.00 0.00 H new ATOM 1298 N LYS A 91 -8.678 -0.375 -0.945 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.396 -0.342 0.325 1.00 0.00 C ATOM 1300 C LYS A 91 -9.723 1.077 0.756 1.00 0.00 C ATOM 1301 O LYS A 91 -9.786 1.365 1.947 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.587 -1.092 1.383 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.226 -2.491 0.880 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.475 -3.335 0.821 1.00 0.00 C ATOM 1305 CE LYS A 91 -9.277 -4.712 0.204 1.00 0.00 C ATOM 1306 NZ LYS A 91 -10.102 -5.690 0.942 1.00 0.00 N ATOM 0 H LYS A 91 -7.814 0.167 -0.943 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.356 -0.843 0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.679 -0.537 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.163 -1.167 2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.768 -2.429 -0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.493 -2.951 1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.865 -3.456 1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.233 -2.800 0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.560 -4.698 -0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.226 -4.997 0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.483 -6.374 1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.682 -5.193 1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.723 -6.193 0.276 1.00 0.00 H new ATOM 1320 N GLU A 92 -9.976 1.939 -0.229 1.00 0.00 N ATOM 1321 CA GLU A 92 -10.448 3.289 -0.011 1.00 0.00 C ATOM 1322 C GLU A 92 -11.734 3.234 0.815 1.00 0.00 C ATOM 1323 O GLU A 92 -11.715 3.504 2.019 1.00 0.00 O ATOM 1324 CB GLU A 92 -10.609 3.957 -1.385 1.00 0.00 C ATOM 1325 CG GLU A 92 -11.081 5.404 -1.248 1.00 0.00 C ATOM 1326 CD GLU A 92 -12.584 5.559 -1.147 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -13.259 4.904 -1.967 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -13.002 6.317 -0.246 1.00 0.00 O ATOM 0 H GLU A 92 -9.854 1.706 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.746 3.895 0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.658 3.931 -1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.325 3.394 -1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.621 5.842 -0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.725 5.973 -2.107 1.00 0.00 H new ATOM 1335 N GLU A 93 -12.836 2.785 0.205 1.00 0.00 N ATOM 1336 CA GLU A 93 -14.131 2.710 0.868 1.00 0.00 C ATOM 1337 C GLU A 93 -14.224 1.447 1.756 1.00 0.00 C ATOM 1338 O GLU A 93 -15.228 0.738 1.761 1.00 0.00 O ATOM 1339 CB GLU A 93 -15.273 2.813 -0.179 1.00 0.00 C ATOM 1340 CG GLU A 93 -16.090 4.109 -0.061 1.00 0.00 C ATOM 1341 CD GLU A 93 -17.359 4.051 -0.908 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -17.229 4.001 -2.151 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -18.449 4.031 -0.297 1.00 0.00 O ATOM 0 H GLU A 93 -12.849 2.464 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.244 3.559 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.846 2.751 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.940 1.959 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -16.355 4.279 0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -15.479 4.955 -0.376 1.00 0.00 H new ATOM 1350 N GLU A 94 -13.169 1.172 2.530 1.00 0.00 N ATOM 1351 CA GLU A 94 -13.173 0.246 3.655 1.00 0.00 C ATOM 1352 C GLU A 94 -12.713 1.004 4.903 1.00 0.00 C ATOM 1353 O GLU A 94 -13.298 0.838 5.969 1.00 0.00 O ATOM 1354 CB GLU A 94 -12.252 -0.969 3.428 1.00 0.00 C ATOM 1355 CG GLU A 94 -12.782 -2.046 2.457 1.00 0.00 C ATOM 1356 CD GLU A 94 -12.099 -3.410 2.633 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -11.449 -3.611 3.688 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -12.146 -4.235 1.692 1.00 0.00 O ATOM 0 H GLU A 94 -12.258 1.607 2.380 1.00 0.00 H new ATOM 0 HA GLU A 94 -14.186 -0.139 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.294 -0.609 3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -12.060 -1.440 4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.855 -2.163 2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.637 -1.704 1.432 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.632 1.785 4.792 1.00 0.00 N ATOM 1366 CA ILE A 95 -11.000 2.401 5.943 1.00 0.00 C ATOM 1367 C ILE A 95 -11.801 3.559 6.552 1.00 0.00 C ATOM 1368 O ILE A 95 -11.785 3.691 7.776 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.536 2.740 5.621 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.419 3.742 4.474 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -8.768 1.461 5.282 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -8.184 4.618 4.601 1.00 0.00 C ATOM 0 H ILE A 95 -11.180 2.001 3.903 1.00 0.00 H new ATOM 0 HA ILE A 95 -10.993 1.668 6.750 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.102 3.205 6.506 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.385 3.205 3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.308 4.372 4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.731 1.709 5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.801 0.781 6.133 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -9.224 0.981 4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.144 5.314 3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.229 5.177 5.536 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.292 3.992 4.596 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.435 4.393 5.719 1.00 0.00 N ATOM 1385 CA VAL A 96 -13.148 5.604 6.151 1.00 0.00 C ATOM 1386 C VAL A 96 -14.694 5.370 6.201 1.00 0.00 C ATOM 1387 O VAL A 96 -14.399 4.903 7.324 1.00 0.00 O ATOM 1388 CB VAL A 96 -12.892 6.742 5.138 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -11.431 7.214 5.134 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -13.322 6.398 3.702 1.00 0.00 C ATOM 1391 OXT VAL A 96 -15.860 5.064 6.533 1.00 0.00 O ATOM 0 H VAL A 96 -12.468 4.244 4.710 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.782 5.860 7.145 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.524 7.558 5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.309 8.014 4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.165 7.583 6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.780 6.380 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.112 7.244 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -12.769 5.525 3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.390 6.182 3.684 1.00 0.00 H new TER 1401 VAL A 96 HETATM 1402 FE1 FES A 97 -4.499 10.415 -2.336 1.00 0.00 FE HETATM 1403 FE2 FES A 97 -4.093 8.355 -1.063 1.00 0.00 FE HETATM 1404 S1 FES A 97 -5.999 9.347 -1.298 1.00 0.00 S HETATM 1405 S2 FES A 97 -2.815 9.051 -2.645 1.00 0.00 S