USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 855 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 33 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 128 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.0038) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 100:sc= -0.172 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -170:sc= -1.04 USER MOD Single : A 20 MET CE :methyl 166:sc= -2.63! (180deg=-2.7) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 25 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.2!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.64! K(o=-3.6!,f=-0.77) USER MOD Single : A 44 ASN : amide:sc= -5.07! C(o=-5.1!,f=-13!) USER MOD Single : A 46 TYR OH : rot -156:sc= -0.159 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.063) USER MOD Single : A 53 THR OG1 : rot 64:sc= 0.0798 USER MOD Single : A 54 GLN : amide:sc=-0.00514 K(o=-0.0051,f=-0.7) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.718 K(o=-0.72,f=-3.6!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0265 K(o=-0.027,f=-1.1) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.3!) USER MOD Single : A 82 GLN : amide:sc= -0.416 K(o=-0.42,f=-7.4!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 130:sc=-0.00743 USER MOD Single : A 89 ASN : amide:sc= -1.88 K(o=-1.9,f=-5.4!) USER MOD Single : A 93 SER OG : rot -119:sc= 1.16 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot -39:sc= 1.21 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.0293 USER MOD Single : A 116 THR OG1 : rot -82:sc= 0.747 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc=-0.00835 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -10.456 12.231 -5.339 1.00 0.00 N ATOM 67 CA VAL A 8 -9.096 11.716 -5.448 1.00 0.00 C ATOM 68 C VAL A 8 -8.931 10.861 -6.699 1.00 0.00 C ATOM 69 O VAL A 8 -9.641 9.872 -6.887 1.00 0.00 O ATOM 70 CB VAL A 8 -8.711 10.881 -4.213 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.615 9.663 -4.090 1.00 0.00 C ATOM 72 CG2 VAL A 8 -7.250 10.465 -4.286 1.00 0.00 C ATOM 0 HA VAL A 8 -8.435 12.580 -5.513 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.846 11.496 -3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.329 9.084 -3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.651 9.987 -3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.514 9.044 -4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.995 9.876 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.086 9.867 -5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.620 11.354 -4.323 1.00 0.00 H new ATOM 82 N LYS A 9 -7.989 11.247 -7.553 1.00 0.00 N ATOM 83 CA LYS A 9 -7.728 10.515 -8.787 1.00 0.00 C ATOM 84 C LYS A 9 -7.216 9.109 -8.488 1.00 0.00 C ATOM 85 O LYS A 9 -6.524 8.889 -7.494 1.00 0.00 O ATOM 86 CB LYS A 9 -6.709 11.268 -9.645 1.00 0.00 C ATOM 87 CG LYS A 9 -7.276 12.510 -10.311 1.00 0.00 C ATOM 88 CD LYS A 9 -6.276 13.133 -11.271 1.00 0.00 C ATOM 89 CE LYS A 9 -6.367 12.506 -12.654 1.00 0.00 C ATOM 90 NZ LYS A 9 -5.453 13.169 -13.625 1.00 0.00 N ATOM 0 H LYS A 9 -7.393 12.063 -7.413 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.666 10.432 -9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.862 11.555 -9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.326 10.596 -10.413 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.187 12.251 -10.850 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.553 13.239 -9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.459 14.205 -11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.267 13.008 -10.879 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.121 11.446 -12.589 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.393 12.573 -13.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.545 12.713 -14.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.704 14.175 -13.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.471 13.083 -13.292 1.00 0.00 H new ATOM 104 N PHE A 10 -7.558 8.162 -9.355 1.00 0.00 N ATOM 105 CA PHE A 10 -7.133 6.778 -9.183 1.00 0.00 C ATOM 106 C PHE A 10 -5.877 6.490 -10.001 1.00 0.00 C ATOM 107 O PHE A 10 -5.597 7.169 -10.990 1.00 0.00 O ATOM 108 CB PHE A 10 -8.254 5.822 -9.596 1.00 0.00 C ATOM 109 CG PHE A 10 -9.532 6.035 -8.836 1.00 0.00 C ATOM 110 CD1 PHE A 10 -9.552 5.961 -7.453 1.00 0.00 C ATOM 111 CD2 PHE A 10 -10.714 6.309 -9.505 1.00 0.00 C ATOM 112 CE1 PHE A 10 -10.727 6.155 -6.752 1.00 0.00 C ATOM 113 CE2 PHE A 10 -11.892 6.504 -8.810 1.00 0.00 C ATOM 114 CZ PHE A 10 -11.898 6.428 -7.431 1.00 0.00 C ATOM 0 H PHE A 10 -8.129 8.328 -10.184 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.903 6.623 -8.129 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.450 5.942 -10.662 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.919 4.796 -9.448 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.639 5.749 -6.916 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.714 6.371 -10.583 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.729 6.093 -5.674 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.807 6.715 -9.344 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.817 6.582 -6.885 1.00 0.00 H new ATOM 124 N LEU A 11 -5.124 5.480 -9.581 1.00 0.00 N ATOM 125 CA LEU A 11 -3.897 5.101 -10.273 1.00 0.00 C ATOM 126 C LEU A 11 -3.005 6.317 -10.507 1.00 0.00 C ATOM 127 O LEU A 11 -2.363 6.439 -11.550 1.00 0.00 O ATOM 128 CB LEU A 11 -4.227 4.432 -11.609 1.00 0.00 C ATOM 129 CG LEU A 11 -5.035 3.137 -11.529 1.00 0.00 C ATOM 130 CD1 LEU A 11 -5.424 2.664 -12.921 1.00 0.00 C ATOM 131 CD2 LEU A 11 -4.246 2.060 -10.799 1.00 0.00 C ATOM 0 H LEU A 11 -5.341 4.908 -8.765 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.358 4.394 -9.643 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.779 5.144 -12.222 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.292 4.222 -12.128 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.947 3.335 -10.966 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.999 1.741 -12.844 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.029 3.428 -13.409 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.524 2.483 -13.509 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.837 1.145 -10.752 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.317 1.864 -11.334 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.019 2.398 -9.788 1.00 0.00 H new ATOM 143 N THR A 12 -2.969 7.214 -9.527 1.00 0.00 N ATOM 144 CA THR A 12 -2.156 8.420 -9.624 1.00 0.00 C ATOM 145 C THR A 12 -1.461 8.723 -8.302 1.00 0.00 C ATOM 146 O THR A 12 -2.084 8.690 -7.240 1.00 0.00 O ATOM 147 CB THR A 12 -3.005 9.638 -10.037 1.00 0.00 C ATOM 148 OG1 THR A 12 -4.216 9.672 -9.274 1.00 0.00 O ATOM 149 CG2 THR A 12 -3.335 9.590 -11.521 1.00 0.00 C ATOM 0 H THR A 12 -3.494 7.128 -8.657 1.00 0.00 H new ATOM 0 HA THR A 12 -1.404 8.234 -10.391 1.00 0.00 H new ATOM 0 HB THR A 12 -2.426 10.540 -9.839 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.123 10.316 -8.541 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.935 10.460 -11.789 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.411 9.594 -12.099 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.896 8.681 -11.740 1.00 0.00 H new ATOM 157 N VAL A 13 -0.167 9.020 -8.373 1.00 0.00 N ATOM 158 CA VAL A 13 0.612 9.332 -7.181 1.00 0.00 C ATOM 159 C VAL A 13 0.241 10.701 -6.624 1.00 0.00 C ATOM 160 O VAL A 13 0.418 11.721 -7.288 1.00 0.00 O ATOM 161 CB VAL A 13 2.124 9.302 -7.475 1.00 0.00 C ATOM 162 CG1 VAL A 13 2.917 9.678 -6.233 1.00 0.00 C ATOM 163 CG2 VAL A 13 2.539 7.931 -7.988 1.00 0.00 C ATOM 0 H VAL A 13 0.364 9.051 -9.244 1.00 0.00 H new ATOM 0 HA VAL A 13 0.378 8.567 -6.441 1.00 0.00 H new ATOM 0 HB VAL A 13 2.341 10.036 -8.251 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.983 9.651 -6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.639 10.683 -5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.698 8.970 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.610 7.927 -8.191 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.309 7.176 -7.236 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.995 7.706 -8.906 1.00 0.00 H new ATOM 173 N ASN A 14 -0.275 10.716 -5.399 1.00 0.00 N ATOM 174 CA ASN A 14 -0.671 11.961 -4.752 1.00 0.00 C ATOM 175 C ASN A 14 0.478 12.537 -3.930 1.00 0.00 C ATOM 176 O ASN A 14 0.846 11.990 -2.890 1.00 0.00 O ATOM 177 CB ASN A 14 -1.888 11.728 -3.854 1.00 0.00 C ATOM 178 CG ASN A 14 -2.958 10.896 -4.535 1.00 0.00 C ATOM 179 OD1 ASN A 14 -3.734 11.404 -5.344 1.00 0.00 O ATOM 180 ND2 ASN A 14 -3.004 9.610 -4.208 1.00 0.00 N ATOM 0 H ASN A 14 -0.428 9.880 -4.835 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.933 12.678 -5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.571 11.228 -2.939 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.310 12.690 -3.562 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.703 9.000 -4.633 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.340 9.232 -3.532 1.00 0.00 H new ATOM 187 N ASP A 15 1.039 13.644 -4.403 1.00 0.00 N ATOM 188 CA ASP A 15 2.145 14.296 -3.712 1.00 0.00 C ATOM 189 C ASP A 15 1.981 14.187 -2.199 1.00 0.00 C ATOM 190 O ASP A 15 2.870 13.697 -1.502 1.00 0.00 O ATOM 191 CB ASP A 15 2.235 15.767 -4.122 1.00 0.00 C ATOM 192 CG ASP A 15 2.872 15.949 -5.486 1.00 0.00 C ATOM 193 OD1 ASP A 15 4.062 15.601 -5.637 1.00 0.00 O ATOM 194 OD2 ASP A 15 2.180 16.440 -6.402 1.00 0.00 O ATOM 0 H ASP A 15 0.746 14.109 -5.262 1.00 0.00 H new ATOM 0 HA ASP A 15 3.067 13.790 -3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.235 16.201 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.814 16.314 -3.378 1.00 0.00 H new ATOM 199 N ASP A 16 0.839 14.646 -1.698 1.00 0.00 N ATOM 200 CA ASP A 16 0.558 14.600 -0.268 1.00 0.00 C ATOM 201 C ASP A 16 1.168 13.353 0.366 1.00 0.00 C ATOM 202 O ASP A 16 0.625 12.255 0.243 1.00 0.00 O ATOM 203 CB ASP A 16 -0.951 14.627 -0.022 1.00 0.00 C ATOM 204 CG ASP A 16 -1.558 15.990 -0.292 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.239 16.939 0.454 1.00 0.00 O ATOM 206 OD2 ASP A 16 -2.352 16.107 -1.248 1.00 0.00 O ATOM 0 H ASP A 16 0.093 15.054 -2.261 1.00 0.00 H new ATOM 0 HA ASP A 16 1.009 15.478 0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.433 13.885 -0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.153 14.341 1.010 1.00 0.00 H new ATOM 211 N ILE A 17 2.298 13.532 1.041 1.00 0.00 N ATOM 212 CA ILE A 17 2.980 12.421 1.693 1.00 0.00 C ATOM 213 C ILE A 17 2.307 12.061 3.013 1.00 0.00 C ATOM 214 O ILE A 17 2.025 12.932 3.837 1.00 0.00 O ATOM 215 CB ILE A 17 4.462 12.748 1.958 1.00 0.00 C ATOM 216 CG1 ILE A 17 4.582 13.975 2.865 1.00 0.00 C ATOM 217 CG2 ILE A 17 5.196 12.979 0.646 1.00 0.00 C ATOM 218 CD1 ILE A 17 6.012 14.370 3.161 1.00 0.00 C ATOM 0 H ILE A 17 2.760 14.435 1.151 1.00 0.00 H new ATOM 0 HA ILE A 17 2.919 11.571 1.013 1.00 0.00 H new ATOM 0 HB ILE A 17 4.921 11.899 2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.071 14.815 2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.067 13.774 3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.242 13.209 0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.135 12.081 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.738 13.813 0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.021 15.247 3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.521 13.545 3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.526 14.603 2.228 1.00 0.00 H new ATOM 230 N LEU A 18 2.053 10.772 3.209 1.00 0.00 N ATOM 231 CA LEU A 18 1.414 10.295 4.431 1.00 0.00 C ATOM 232 C LEU A 18 1.868 8.878 4.765 1.00 0.00 C ATOM 233 O LEU A 18 2.045 8.046 3.875 1.00 0.00 O ATOM 234 CB LEU A 18 -0.108 10.334 4.283 1.00 0.00 C ATOM 235 CG LEU A 18 -0.752 11.720 4.334 1.00 0.00 C ATOM 236 CD1 LEU A 18 -2.250 11.621 4.090 1.00 0.00 C ATOM 237 CD2 LEU A 18 -0.471 12.389 5.671 1.00 0.00 C ATOM 0 H LEU A 18 2.280 10.038 2.538 1.00 0.00 H new ATOM 0 HA LEU A 18 1.710 10.954 5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.373 9.867 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.546 9.723 5.072 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.315 12.332 3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.692 12.617 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.431 11.183 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.703 10.992 4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.937 13.374 5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.880 11.779 6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.605 12.494 5.806 1.00 0.00 H new ATOM 249 N SER A 19 2.052 8.609 6.054 1.00 0.00 N ATOM 250 CA SER A 19 2.486 7.293 6.506 1.00 0.00 C ATOM 251 C SER A 19 1.497 6.215 6.071 1.00 0.00 C ATOM 252 O SER A 19 0.364 6.513 5.695 1.00 0.00 O ATOM 253 CB SER A 19 2.639 7.277 8.028 1.00 0.00 C ATOM 254 OG SER A 19 1.386 7.450 8.667 1.00 0.00 O ATOM 0 H SER A 19 1.907 9.286 6.803 1.00 0.00 H new ATOM 0 HA SER A 19 3.452 7.080 6.049 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.084 6.333 8.342 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.321 8.069 8.337 1.00 0.00 H new ATOM 0 HG SER A 19 1.525 7.594 9.626 1.00 0.00 H new ATOM 260 N MET A 20 1.936 4.962 6.126 1.00 0.00 N ATOM 261 CA MET A 20 1.089 3.839 5.739 1.00 0.00 C ATOM 262 C MET A 20 -0.257 3.902 6.454 1.00 0.00 C ATOM 263 O MET A 20 -1.319 3.825 5.835 1.00 0.00 O ATOM 264 CB MET A 20 1.786 2.514 6.056 1.00 0.00 C ATOM 265 CG MET A 20 1.496 1.418 5.044 1.00 0.00 C ATOM 266 SD MET A 20 0.054 0.429 5.485 1.00 0.00 S ATOM 267 CE MET A 20 -0.397 -0.244 3.888 1.00 0.00 C ATOM 0 H MET A 20 2.872 4.699 6.434 1.00 0.00 H new ATOM 0 HA MET A 20 0.914 3.901 4.665 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.862 2.681 6.101 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.474 2.176 7.044 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.338 1.867 4.063 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.366 0.767 4.960 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.105 -1.061 4.024 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.856 0.536 3.281 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.495 -0.617 3.385 1.00 0.00 H new ATOM 277 N PRO A 21 -0.215 4.045 7.787 1.00 0.00 N ATOM 278 CA PRO A 21 -1.423 4.122 8.613 1.00 0.00 C ATOM 279 C PRO A 21 -2.190 5.423 8.400 1.00 0.00 C ATOM 280 O PRO A 21 -3.264 5.620 8.967 1.00 0.00 O ATOM 281 CB PRO A 21 -0.880 4.050 10.043 1.00 0.00 C ATOM 282 CG PRO A 21 0.515 4.563 9.944 1.00 0.00 C ATOM 283 CD PRO A 21 1.015 4.144 8.589 1.00 0.00 C ATOM 0 HA PRO A 21 -2.133 3.331 8.371 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.477 4.656 10.724 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.900 3.029 10.423 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.541 5.647 10.051 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.140 4.150 10.736 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.708 4.875 8.173 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.544 3.192 8.633 1.00 0.00 H new ATOM 291 N GLN A 22 -1.631 6.306 7.578 1.00 0.00 N ATOM 292 CA GLN A 22 -2.264 7.588 7.291 1.00 0.00 C ATOM 293 C GLN A 22 -2.812 7.617 5.868 1.00 0.00 C ATOM 294 O GLN A 22 -3.802 8.292 5.588 1.00 0.00 O ATOM 295 CB GLN A 22 -1.265 8.729 7.489 1.00 0.00 C ATOM 296 CG GLN A 22 -0.957 9.021 8.949 1.00 0.00 C ATOM 297 CD GLN A 22 -2.026 9.866 9.613 1.00 0.00 C ATOM 298 OE1 GLN A 22 -3.048 9.351 10.068 1.00 0.00 O ATOM 299 NE2 GLN A 22 -1.795 11.173 9.674 1.00 0.00 N ATOM 0 H GLN A 22 -0.742 6.157 7.100 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.095 7.718 7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.337 8.482 6.973 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.659 9.631 7.022 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.855 8.080 9.490 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.002 9.535 9.018 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.934 11.558 9.284 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.478 11.792 10.111 1.00 0.00 H new ATOM 308 N ALA A 23 -2.161 6.882 4.973 1.00 0.00 N ATOM 309 CA ALA A 23 -2.584 6.822 3.579 1.00 0.00 C ATOM 310 C ALA A 23 -3.759 5.867 3.403 1.00 0.00 C ATOM 311 O ALA A 23 -4.799 6.241 2.860 1.00 0.00 O ATOM 312 CB ALA A 23 -1.421 6.402 2.692 1.00 0.00 C ATOM 0 H ALA A 23 -1.338 6.319 5.188 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.912 7.818 3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.751 6.361 1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.611 7.125 2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.066 5.418 2.999 1.00 0.00 H new ATOM 318 N ARG A 24 -3.587 4.633 3.864 1.00 0.00 N ATOM 319 CA ARG A 24 -4.633 3.623 3.754 1.00 0.00 C ATOM 320 C ARG A 24 -5.959 4.154 4.293 1.00 0.00 C ATOM 321 O ARG A 24 -7.025 3.843 3.763 1.00 0.00 O ATOM 322 CB ARG A 24 -4.232 2.358 4.513 1.00 0.00 C ATOM 323 CG ARG A 24 -4.281 2.512 6.025 1.00 0.00 C ATOM 324 CD ARG A 24 -3.540 1.384 6.725 1.00 0.00 C ATOM 325 NE ARG A 24 -4.059 1.138 8.068 1.00 0.00 N ATOM 326 CZ ARG A 24 -5.265 0.637 8.309 1.00 0.00 C ATOM 327 NH1 ARG A 24 -6.072 0.329 7.304 1.00 0.00 N ATOM 328 NH2 ARG A 24 -5.666 0.443 9.559 1.00 0.00 N ATOM 0 H ARG A 24 -2.733 4.308 4.317 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.760 3.380 2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.893 1.543 4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.222 2.072 4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.842 3.468 6.309 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.319 2.527 6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.623 0.473 6.132 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.480 1.630 6.786 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.463 1.363 8.864 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.767 0.477 6.342 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.998 -0.056 7.493 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.048 0.679 10.335 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.592 0.058 9.743 1.00 0.00 H new ATOM 342 N ASN A 25 -5.883 4.956 5.350 1.00 0.00 N ATOM 343 CA ASN A 25 -7.077 5.528 5.962 1.00 0.00 C ATOM 344 C ASN A 25 -7.689 6.598 5.063 1.00 0.00 C ATOM 345 O ASN A 25 -8.910 6.730 4.979 1.00 0.00 O ATOM 346 CB ASN A 25 -6.738 6.128 7.328 1.00 0.00 C ATOM 347 CG ASN A 25 -7.626 7.306 7.679 1.00 0.00 C ATOM 348 OD1 ASN A 25 -8.815 7.319 7.359 1.00 0.00 O ATOM 349 ND2 ASN A 25 -7.051 8.303 8.341 1.00 0.00 N ATOM 0 H ASN A 25 -5.008 5.224 5.800 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.806 4.728 6.094 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.839 5.360 8.094 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.696 6.448 7.333 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.598 9.122 8.605 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.062 8.250 8.586 1.00 0.00 H new ATOM 356 N PHE A 26 -6.832 7.360 4.391 1.00 0.00 N ATOM 357 CA PHE A 26 -7.288 8.418 3.497 1.00 0.00 C ATOM 358 C PHE A 26 -8.062 7.838 2.317 1.00 0.00 C ATOM 359 O PHE A 26 -9.249 8.115 2.142 1.00 0.00 O ATOM 360 CB PHE A 26 -6.097 9.234 2.989 1.00 0.00 C ATOM 361 CG PHE A 26 -6.478 10.297 1.999 1.00 0.00 C ATOM 362 CD1 PHE A 26 -6.675 9.981 0.665 1.00 0.00 C ATOM 363 CD2 PHE A 26 -6.639 11.613 2.403 1.00 0.00 C ATOM 364 CE1 PHE A 26 -7.025 10.958 -0.248 1.00 0.00 C ATOM 365 CE2 PHE A 26 -6.989 12.594 1.495 1.00 0.00 C ATOM 366 CZ PHE A 26 -7.183 12.266 0.167 1.00 0.00 C ATOM 0 H PHE A 26 -5.818 7.264 4.449 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.955 9.072 4.059 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.598 9.701 3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.376 8.560 2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.554 8.960 0.334 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.489 11.875 3.440 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.175 10.699 -1.286 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.111 13.616 1.823 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.458 13.030 -0.545 1.00 0.00 H new ATOM 376 N CYS A 27 -7.381 7.032 1.510 1.00 0.00 N ATOM 377 CA CYS A 27 -8.003 6.413 0.345 1.00 0.00 C ATOM 378 C CYS A 27 -9.397 5.894 0.684 1.00 0.00 C ATOM 379 O CYS A 27 -10.349 6.105 -0.067 1.00 0.00 O ATOM 380 CB CYS A 27 -7.132 5.267 -0.174 1.00 0.00 C ATOM 381 SG CYS A 27 -5.575 5.809 -0.949 1.00 0.00 S ATOM 0 H CYS A 27 -6.398 6.792 1.641 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.096 7.171 -0.433 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.899 4.598 0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.705 4.689 -0.899 1.00 0.00 H new ATOM 386 N ALA A 28 -9.509 5.214 1.820 1.00 0.00 N ATOM 387 CA ALA A 28 -10.787 4.667 2.260 1.00 0.00 C ATOM 388 C ALA A 28 -11.819 5.771 2.455 1.00 0.00 C ATOM 389 O ALA A 28 -12.921 5.708 1.910 1.00 0.00 O ATOM 390 CB ALA A 28 -10.607 3.876 3.548 1.00 0.00 C ATOM 0 H ALA A 28 -8.731 5.029 2.452 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.154 3.997 1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.569 3.473 3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.909 3.056 3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.214 4.531 4.325 1.00 0.00 H new ATOM 396 N SER A 29 -11.456 6.784 3.236 1.00 0.00 N ATOM 397 CA SER A 29 -12.353 7.901 3.507 1.00 0.00 C ATOM 398 C SER A 29 -12.777 8.584 2.210 1.00 0.00 C ATOM 399 O SER A 29 -13.941 8.941 2.035 1.00 0.00 O ATOM 400 CB SER A 29 -11.677 8.914 4.432 1.00 0.00 C ATOM 401 OG SER A 29 -12.617 9.838 4.951 1.00 0.00 O ATOM 0 H SER A 29 -10.546 6.854 3.692 1.00 0.00 H new ATOM 0 HA SER A 29 -13.243 7.508 3.999 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.186 8.391 5.252 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.901 9.449 3.885 1.00 0.00 H new ATOM 0 HG SER A 29 -12.160 10.474 5.540 1.00 0.00 H new ATOM 407 N ALA A 30 -11.822 8.761 1.303 1.00 0.00 N ATOM 408 CA ALA A 30 -12.094 9.399 0.021 1.00 0.00 C ATOM 409 C ALA A 30 -13.040 8.552 -0.824 1.00 0.00 C ATOM 410 O ALA A 30 -13.983 9.066 -1.423 1.00 0.00 O ATOM 411 CB ALA A 30 -10.795 9.652 -0.730 1.00 0.00 C ATOM 0 H ALA A 30 -10.853 8.471 1.432 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.580 10.355 0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.014 10.129 -1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.153 10.304 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.286 8.704 -0.906 1.00 0.00 H new ATOM 417 N GLY A 31 -12.780 7.248 -0.867 1.00 0.00 N ATOM 418 CA GLY A 31 -13.617 6.351 -1.642 1.00 0.00 C ATOM 419 C GLY A 31 -12.807 5.344 -2.435 1.00 0.00 C ATOM 420 O GLY A 31 -13.105 5.075 -3.598 1.00 0.00 O ATOM 0 H GLY A 31 -12.005 6.798 -0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.294 5.821 -0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.235 6.934 -2.325 1.00 0.00 H new ATOM 424 N GLY A 32 -11.778 4.786 -1.805 1.00 0.00 N ATOM 425 CA GLY A 32 -10.938 3.811 -2.475 1.00 0.00 C ATOM 426 C GLY A 32 -9.962 3.138 -1.529 1.00 0.00 C ATOM 427 O GLY A 32 -10.146 3.168 -0.312 1.00 0.00 O ATOM 0 H GLY A 32 -11.511 4.992 -0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.568 3.053 -2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.384 4.302 -3.275 1.00 0.00 H new ATOM 431 N TYR A 33 -8.923 2.529 -2.089 1.00 0.00 N ATOM 432 CA TYR A 33 -7.917 1.843 -1.287 1.00 0.00 C ATOM 433 C TYR A 33 -6.594 1.744 -2.041 1.00 0.00 C ATOM 434 O TYR A 33 -6.559 1.819 -3.270 1.00 0.00 O ATOM 435 CB TYR A 33 -8.405 0.444 -0.906 1.00 0.00 C ATOM 436 CG TYR A 33 -8.914 -0.361 -2.081 1.00 0.00 C ATOM 437 CD1 TYR A 33 -8.081 -0.668 -3.150 1.00 0.00 C ATOM 438 CD2 TYR A 33 -10.226 -0.815 -2.120 1.00 0.00 C ATOM 439 CE1 TYR A 33 -8.542 -1.403 -4.225 1.00 0.00 C ATOM 440 CE2 TYR A 33 -10.695 -1.551 -3.191 1.00 0.00 C ATOM 441 CZ TYR A 33 -9.850 -1.842 -4.241 1.00 0.00 C ATOM 442 OH TYR A 33 -10.312 -2.575 -5.310 1.00 0.00 O ATOM 0 H TYR A 33 -8.755 2.496 -3.095 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.755 2.424 -0.379 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -7.588 -0.099 -0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.201 0.535 -0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.056 -0.326 -3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.891 -0.589 -1.299 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.882 -1.633 -5.049 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.718 -1.897 -3.206 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.253 -2.807 -5.165 1.00 0.00 H new ATOM 452 N LEU A 34 -5.507 1.574 -1.296 1.00 0.00 N ATOM 453 CA LEU A 34 -4.181 1.464 -1.893 1.00 0.00 C ATOM 454 C LEU A 34 -4.199 0.520 -3.091 1.00 0.00 C ATOM 455 O LEU A 34 -4.854 -0.522 -3.063 1.00 0.00 O ATOM 456 CB LEU A 34 -3.173 0.968 -0.854 1.00 0.00 C ATOM 457 CG LEU A 34 -2.769 1.975 0.223 1.00 0.00 C ATOM 458 CD1 LEU A 34 -2.218 1.257 1.445 1.00 0.00 C ATOM 459 CD2 LEU A 34 -1.746 2.960 -0.325 1.00 0.00 C ATOM 0 H LEU A 34 -5.518 1.509 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.882 2.454 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.590 0.089 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.273 0.644 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.656 2.532 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.936 1.990 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.980 0.592 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.342 0.674 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.470 3.669 0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.859 2.418 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.176 3.499 -1.170 1.00 0.00 H new ATOM 471 N ALA A 35 -3.474 0.891 -4.141 1.00 0.00 N ATOM 472 CA ALA A 35 -3.404 0.076 -5.348 1.00 0.00 C ATOM 473 C ALA A 35 -2.394 -1.055 -5.188 1.00 0.00 C ATOM 474 O ALA A 35 -1.191 -0.815 -5.080 1.00 0.00 O ATOM 475 CB ALA A 35 -3.047 0.940 -6.548 1.00 0.00 C ATOM 0 H ALA A 35 -2.927 1.751 -4.180 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.385 -0.369 -5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.998 0.319 -7.442 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.808 1.709 -6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.079 1.412 -6.381 1.00 0.00 H new ATOM 481 N ASP A 36 -2.890 -2.287 -5.173 1.00 0.00 N ATOM 482 CA ASP A 36 -2.030 -3.455 -5.027 1.00 0.00 C ATOM 483 C ASP A 36 -1.143 -3.635 -6.255 1.00 0.00 C ATOM 484 O ASP A 36 -1.520 -3.259 -7.365 1.00 0.00 O ATOM 485 CB ASP A 36 -2.874 -4.711 -4.803 1.00 0.00 C ATOM 486 CG ASP A 36 -3.997 -4.485 -3.811 1.00 0.00 C ATOM 487 OD1 ASP A 36 -3.703 -4.329 -2.607 1.00 0.00 O ATOM 488 OD2 ASP A 36 -5.171 -4.464 -4.238 1.00 0.00 O ATOM 0 H ASP A 36 -3.883 -2.503 -5.260 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.389 -3.297 -4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.294 -5.037 -5.754 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.233 -5.517 -4.444 1.00 0.00 H new ATOM 493 N ASP A 37 0.036 -4.211 -6.048 1.00 0.00 N ATOM 494 CA ASP A 37 0.976 -4.441 -7.139 1.00 0.00 C ATOM 495 C ASP A 37 1.257 -5.931 -7.310 1.00 0.00 C ATOM 496 O ASP A 37 2.354 -6.405 -7.013 1.00 0.00 O ATOM 497 CB ASP A 37 2.283 -3.689 -6.881 1.00 0.00 C ATOM 498 CG ASP A 37 2.186 -2.220 -7.240 1.00 0.00 C ATOM 499 OD1 ASP A 37 1.103 -1.630 -7.043 1.00 0.00 O ATOM 500 OD2 ASP A 37 3.194 -1.659 -7.719 1.00 0.00 O ATOM 0 H ASP A 37 0.364 -4.527 -5.135 1.00 0.00 H new ATOM 0 HA ASP A 37 0.526 -4.067 -8.059 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.553 -3.786 -5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.084 -4.149 -7.460 1.00 0.00 H new ATOM 505 N LEU A 38 0.258 -6.664 -7.789 1.00 0.00 N ATOM 506 CA LEU A 38 0.397 -8.101 -7.999 1.00 0.00 C ATOM 507 C LEU A 38 0.173 -8.462 -9.464 1.00 0.00 C ATOM 508 O LEU A 38 -0.961 -8.663 -9.898 1.00 0.00 O ATOM 509 CB LEU A 38 -0.594 -8.863 -7.117 1.00 0.00 C ATOM 510 CG LEU A 38 -2.041 -8.372 -7.155 1.00 0.00 C ATOM 511 CD1 LEU A 38 -2.993 -9.485 -6.742 1.00 0.00 C ATOM 512 CD2 LEU A 38 -2.217 -7.157 -6.256 1.00 0.00 C ATOM 0 H LEU A 38 -0.656 -6.287 -8.039 1.00 0.00 H new ATOM 0 HA LEU A 38 1.413 -8.387 -7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.580 -9.912 -7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.243 -8.817 -6.086 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.278 -8.079 -8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.019 -9.117 -6.775 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.887 -10.327 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.756 -9.809 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.253 -6.822 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.961 -7.423 -5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.563 -6.355 -6.597 1.00 0.00 H new ATOM 524 N GLY A 39 1.262 -8.544 -10.222 1.00 0.00 N ATOM 525 CA GLY A 39 1.163 -8.883 -11.629 1.00 0.00 C ATOM 526 C GLY A 39 1.945 -7.929 -12.511 1.00 0.00 C ATOM 527 O GLY A 39 1.803 -6.712 -12.400 1.00 0.00 O ATOM 0 H GLY A 39 2.211 -8.382 -9.886 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.530 -9.898 -11.782 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.115 -8.874 -11.929 1.00 0.00 H new ATOM 531 N ASP A 40 2.774 -8.483 -13.389 1.00 0.00 N ATOM 532 CA ASP A 40 3.582 -7.674 -14.294 1.00 0.00 C ATOM 533 C ASP A 40 2.770 -6.511 -14.855 1.00 0.00 C ATOM 534 O ASP A 40 3.005 -5.353 -14.508 1.00 0.00 O ATOM 535 CB ASP A 40 4.121 -8.534 -15.438 1.00 0.00 C ATOM 536 CG ASP A 40 3.131 -9.592 -15.883 1.00 0.00 C ATOM 537 OD1 ASP A 40 2.931 -10.570 -15.134 1.00 0.00 O ATOM 538 OD2 ASP A 40 2.556 -9.442 -16.982 1.00 0.00 O ATOM 0 H ASP A 40 2.904 -9.489 -13.493 1.00 0.00 H new ATOM 0 HA ASP A 40 4.421 -7.269 -13.728 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.369 -7.894 -16.284 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.046 -9.016 -15.122 1.00 0.00 H new ATOM 543 N ASP A 41 1.816 -6.826 -15.723 1.00 0.00 N ATOM 544 CA ASP A 41 0.969 -5.808 -16.332 1.00 0.00 C ATOM 545 C ASP A 41 0.610 -4.723 -15.321 1.00 0.00 C ATOM 546 O ASP A 41 0.347 -3.578 -15.689 1.00 0.00 O ATOM 547 CB ASP A 41 -0.306 -6.441 -16.892 1.00 0.00 C ATOM 548 CG ASP A 41 -0.093 -7.057 -18.261 1.00 0.00 C ATOM 549 OD1 ASP A 41 0.760 -6.545 -19.015 1.00 0.00 O ATOM 550 OD2 ASP A 41 -0.780 -8.051 -18.578 1.00 0.00 O ATOM 0 H ASP A 41 1.610 -7.779 -16.021 1.00 0.00 H new ATOM 0 HA ASP A 41 1.527 -5.349 -17.149 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.661 -7.208 -16.203 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.087 -5.683 -16.955 1.00 0.00 H new ATOM 555 N LYS A 42 0.601 -5.092 -14.044 1.00 0.00 N ATOM 556 CA LYS A 42 0.275 -4.151 -12.978 1.00 0.00 C ATOM 557 C LYS A 42 1.514 -3.380 -12.536 1.00 0.00 C ATOM 558 O LYS A 42 1.468 -2.164 -12.357 1.00 0.00 O ATOM 559 CB LYS A 42 -0.331 -4.892 -11.784 1.00 0.00 C ATOM 560 CG LYS A 42 -1.308 -4.053 -10.979 1.00 0.00 C ATOM 561 CD LYS A 42 -2.583 -3.781 -11.759 1.00 0.00 C ATOM 562 CE LYS A 42 -3.203 -2.448 -11.367 1.00 0.00 C ATOM 563 NZ LYS A 42 -4.528 -2.241 -12.014 1.00 0.00 N ATOM 0 H LYS A 42 0.816 -6.036 -13.722 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.455 -3.440 -13.365 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.842 -5.785 -12.143 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.473 -5.227 -11.129 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.552 -4.568 -10.050 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.839 -3.108 -10.706 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.365 -3.782 -12.827 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.299 -4.583 -11.579 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.317 -2.405 -10.284 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.531 -1.638 -11.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.917 -1.322 -11.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.416 -2.256 -13.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.178 -3.000 -11.725 1.00 0.00 H new ATOM 577 N ASN A 43 2.621 -4.095 -12.363 1.00 0.00 N ATOM 578 CA ASN A 43 3.873 -3.477 -11.942 1.00 0.00 C ATOM 579 C ASN A 43 4.465 -2.630 -13.064 1.00 0.00 C ATOM 580 O ASN A 43 4.775 -1.455 -12.871 1.00 0.00 O ATOM 581 CB ASN A 43 4.877 -4.549 -11.513 1.00 0.00 C ATOM 582 CG ASN A 43 6.291 -4.011 -11.415 1.00 0.00 C ATOM 583 OD1 ASN A 43 6.814 -3.805 -10.319 1.00 0.00 O ATOM 584 ND2 ASN A 43 6.917 -3.780 -12.563 1.00 0.00 N ATOM 0 H ASN A 43 2.676 -5.103 -12.508 1.00 0.00 H new ATOM 0 HA ASN A 43 3.661 -2.827 -11.093 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.579 -4.957 -10.547 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.853 -5.372 -12.227 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.870 -3.417 -12.560 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.445 -3.965 -13.448 1.00 0.00 H new ATOM 591 N ASN A 44 4.619 -3.235 -14.237 1.00 0.00 N ATOM 592 CA ASN A 44 5.173 -2.537 -15.391 1.00 0.00 C ATOM 593 C ASN A 44 4.458 -1.208 -15.618 1.00 0.00 C ATOM 594 O ASN A 44 5.018 -0.282 -16.205 1.00 0.00 O ATOM 595 CB ASN A 44 5.063 -3.409 -16.643 1.00 0.00 C ATOM 596 CG ASN A 44 3.624 -3.623 -17.074 1.00 0.00 C ATOM 597 OD1 ASN A 44 2.691 -3.197 -16.393 1.00 0.00 O ATOM 598 ND2 ASN A 44 3.439 -4.286 -18.209 1.00 0.00 N ATOM 0 H ASN A 44 4.368 -4.208 -14.413 1.00 0.00 H new ATOM 0 HA ASN A 44 6.225 -2.334 -15.190 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.618 -2.943 -17.457 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.530 -4.375 -16.452 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.493 -4.461 -18.549 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.242 -4.621 -18.741 1.00 0.00 H new ATOM 605 N PHE A 45 3.218 -1.122 -15.149 1.00 0.00 N ATOM 606 CA PHE A 45 2.426 0.093 -15.301 1.00 0.00 C ATOM 607 C PHE A 45 2.824 1.135 -14.260 1.00 0.00 C ATOM 608 O PHE A 45 2.932 2.323 -14.565 1.00 0.00 O ATOM 609 CB PHE A 45 0.935 -0.227 -15.175 1.00 0.00 C ATOM 610 CG PHE A 45 0.103 0.950 -14.752 1.00 0.00 C ATOM 611 CD1 PHE A 45 -0.139 1.995 -15.630 1.00 0.00 C ATOM 612 CD2 PHE A 45 -0.437 1.012 -13.478 1.00 0.00 C ATOM 613 CE1 PHE A 45 -0.904 3.080 -15.244 1.00 0.00 C ATOM 614 CE2 PHE A 45 -1.203 2.094 -13.087 1.00 0.00 C ATOM 615 CZ PHE A 45 -1.436 3.130 -13.971 1.00 0.00 C ATOM 0 H PHE A 45 2.740 -1.879 -14.661 1.00 0.00 H new ATOM 0 HA PHE A 45 2.620 0.503 -16.292 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.568 -0.595 -16.133 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.804 -1.033 -14.453 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.275 1.961 -16.627 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.257 0.206 -12.782 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.085 3.888 -15.938 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.619 2.130 -12.091 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.033 3.977 -13.667 1.00 0.00 H new ATOM 625 N TYR A 46 3.039 0.682 -13.030 1.00 0.00 N ATOM 626 CA TYR A 46 3.422 1.575 -11.942 1.00 0.00 C ATOM 627 C TYR A 46 4.821 2.139 -12.168 1.00 0.00 C ATOM 628 O TYR A 46 5.033 3.350 -12.102 1.00 0.00 O ATOM 629 CB TYR A 46 3.368 0.835 -10.605 1.00 0.00 C ATOM 630 CG TYR A 46 1.977 0.383 -10.219 1.00 0.00 C ATOM 631 CD1 TYR A 46 0.912 1.275 -10.212 1.00 0.00 C ATOM 632 CD2 TYR A 46 1.729 -0.937 -9.861 1.00 0.00 C ATOM 633 CE1 TYR A 46 -0.360 0.866 -9.859 1.00 0.00 C ATOM 634 CE2 TYR A 46 0.460 -1.355 -9.509 1.00 0.00 C ATOM 635 CZ TYR A 46 -0.580 -0.449 -9.509 1.00 0.00 C ATOM 636 OH TYR A 46 -1.846 -0.861 -9.158 1.00 0.00 O ATOM 0 H TYR A 46 2.955 -0.298 -12.761 1.00 0.00 H new ATOM 0 HA TYR A 46 2.715 2.404 -11.920 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.023 -0.035 -10.654 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.760 1.486 -9.823 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.081 2.306 -10.487 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.542 -1.648 -9.858 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.177 1.572 -9.857 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.283 -2.385 -9.236 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.785 -1.659 -8.593 1.00 0.00 H new ATOM 646 N SER A 47 5.774 1.252 -12.435 1.00 0.00 N ATOM 647 CA SER A 47 7.155 1.659 -12.668 1.00 0.00 C ATOM 648 C SER A 47 7.211 2.937 -13.500 1.00 0.00 C ATOM 649 O SER A 47 8.040 3.813 -13.257 1.00 0.00 O ATOM 650 CB SER A 47 7.926 0.542 -13.374 1.00 0.00 C ATOM 651 OG SER A 47 9.283 0.903 -13.566 1.00 0.00 O ATOM 0 H SER A 47 5.615 0.246 -12.495 1.00 0.00 H new ATOM 0 HA SER A 47 7.619 1.855 -11.701 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.870 -0.373 -12.784 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.463 0.329 -14.337 1.00 0.00 H new ATOM 0 HG SER A 47 9.755 0.173 -14.018 1.00 0.00 H new ATOM 657 N SER A 48 6.323 3.034 -14.485 1.00 0.00 N ATOM 658 CA SER A 48 6.273 4.202 -15.356 1.00 0.00 C ATOM 659 C SER A 48 6.007 5.470 -14.551 1.00 0.00 C ATOM 660 O SER A 48 6.858 6.355 -14.468 1.00 0.00 O ATOM 661 CB SER A 48 5.190 4.023 -16.422 1.00 0.00 C ATOM 662 OG SER A 48 5.340 4.969 -17.466 1.00 0.00 O ATOM 0 H SER A 48 5.629 2.318 -14.699 1.00 0.00 H new ATOM 0 HA SER A 48 7.242 4.301 -15.846 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.242 3.014 -16.831 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.206 4.132 -15.967 1.00 0.00 H new ATOM 0 HG SER A 48 4.637 4.832 -18.135 1.00 0.00 H new ATOM 668 N ILE A 49 4.819 5.549 -13.961 1.00 0.00 N ATOM 669 CA ILE A 49 4.440 6.708 -13.162 1.00 0.00 C ATOM 670 C ILE A 49 5.336 6.846 -11.935 1.00 0.00 C ATOM 671 O ILE A 49 5.423 7.917 -11.335 1.00 0.00 O ATOM 672 CB ILE A 49 2.972 6.620 -12.704 1.00 0.00 C ATOM 673 CG1 ILE A 49 2.794 5.474 -11.706 1.00 0.00 C ATOM 674 CG2 ILE A 49 2.054 6.434 -13.902 1.00 0.00 C ATOM 675 CD1 ILE A 49 1.479 5.521 -10.960 1.00 0.00 C ATOM 0 H ILE A 49 4.103 4.825 -14.021 1.00 0.00 H new ATOM 0 HA ILE A 49 4.562 7.584 -13.799 1.00 0.00 H new ATOM 0 HB ILE A 49 2.705 7.553 -12.208 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.867 4.525 -12.238 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.612 5.500 -10.986 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.020 6.374 -13.562 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.164 7.280 -14.580 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.319 5.514 -14.424 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.422 4.679 -10.270 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.411 6.454 -10.400 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.655 5.464 -11.671 1.00 0.00 H new ATOM 687 N ALA A 50 6.001 5.756 -11.569 1.00 0.00 N ATOM 688 CA ALA A 50 6.894 5.757 -10.417 1.00 0.00 C ATOM 689 C ALA A 50 8.282 6.259 -10.798 1.00 0.00 C ATOM 690 O ALA A 50 9.265 5.972 -10.116 1.00 0.00 O ATOM 691 CB ALA A 50 6.982 4.361 -9.817 1.00 0.00 C ATOM 0 H ALA A 50 5.938 4.861 -12.053 1.00 0.00 H new ATOM 0 HA ALA A 50 6.483 6.437 -9.671 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.652 4.376 -8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.991 4.039 -9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.366 3.667 -10.565 1.00 0.00 H new ATOM 697 N ALA A 51 8.355 7.010 -11.892 1.00 0.00 N ATOM 698 CA ALA A 51 9.623 7.553 -12.363 1.00 0.00 C ATOM 699 C ALA A 51 10.378 8.243 -11.232 1.00 0.00 C ATOM 700 O ALA A 51 10.150 9.417 -10.946 1.00 0.00 O ATOM 701 CB ALA A 51 9.387 8.523 -13.511 1.00 0.00 C ATOM 0 H ALA A 51 7.551 7.256 -12.469 1.00 0.00 H new ATOM 0 HA ALA A 51 10.235 6.725 -12.721 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.342 8.921 -13.853 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.896 8.002 -14.333 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.753 9.342 -13.171 1.00 0.00 H new ATOM 707 N ASN A 52 11.279 7.504 -10.592 1.00 0.00 N ATOM 708 CA ASN A 52 12.067 8.045 -9.490 1.00 0.00 C ATOM 709 C ASN A 52 11.163 8.537 -8.364 1.00 0.00 C ATOM 710 O ASN A 52 11.431 9.564 -7.740 1.00 0.00 O ATOM 711 CB ASN A 52 12.954 9.190 -9.984 1.00 0.00 C ATOM 712 CG ASN A 52 13.715 8.829 -11.245 1.00 0.00 C ATOM 713 OD1 ASN A 52 14.872 8.412 -11.187 1.00 0.00 O ATOM 714 ND2 ASN A 52 13.068 8.989 -12.394 1.00 0.00 N ATOM 0 H ASN A 52 11.481 6.530 -10.817 1.00 0.00 H new ATOM 0 HA ASN A 52 12.699 7.246 -9.102 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.337 10.068 -10.174 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.662 9.462 -9.201 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.530 8.763 -13.275 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.109 9.338 -12.395 1.00 0.00 H new ATOM 721 N THR A 53 10.090 7.796 -8.108 1.00 0.00 N ATOM 722 CA THR A 53 9.145 8.156 -7.058 1.00 0.00 C ATOM 723 C THR A 53 8.808 6.952 -6.185 1.00 0.00 C ATOM 724 O THR A 53 8.430 5.895 -6.690 1.00 0.00 O ATOM 725 CB THR A 53 7.843 8.730 -7.646 1.00 0.00 C ATOM 726 OG1 THR A 53 8.140 9.828 -8.515 1.00 0.00 O ATOM 727 CG2 THR A 53 6.906 9.191 -6.540 1.00 0.00 C ATOM 0 H THR A 53 9.853 6.942 -8.614 1.00 0.00 H new ATOM 0 HA THR A 53 9.627 8.920 -6.448 1.00 0.00 H new ATOM 0 HB THR A 53 7.349 7.942 -8.214 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.668 9.509 -9.276 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.993 9.593 -6.980 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.658 8.346 -5.898 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.395 9.965 -5.948 1.00 0.00 H new ATOM 735 N GLN A 54 8.947 7.119 -4.874 1.00 0.00 N ATOM 736 CA GLN A 54 8.657 6.045 -3.932 1.00 0.00 C ATOM 737 C GLN A 54 7.311 6.268 -3.250 1.00 0.00 C ATOM 738 O GLN A 54 7.124 7.248 -2.529 1.00 0.00 O ATOM 739 CB GLN A 54 9.765 5.946 -2.882 1.00 0.00 C ATOM 740 CG GLN A 54 11.159 5.839 -3.476 1.00 0.00 C ATOM 741 CD GLN A 54 12.246 6.213 -2.487 1.00 0.00 C ATOM 742 OE1 GLN A 54 12.001 6.307 -1.284 1.00 0.00 O ATOM 743 NE2 GLN A 54 13.456 6.429 -2.990 1.00 0.00 N ATOM 0 H GLN A 54 9.259 7.988 -4.440 1.00 0.00 H new ATOM 0 HA GLN A 54 8.610 5.109 -4.489 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.721 6.823 -2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.580 5.076 -2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.324 4.819 -3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.229 6.488 -4.349 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.614 6.340 -3.994 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.227 6.684 -2.373 1.00 0.00 H new ATOM 752 N PHE A 55 6.377 5.352 -3.482 1.00 0.00 N ATOM 753 CA PHE A 55 5.047 5.450 -2.891 1.00 0.00 C ATOM 754 C PHE A 55 4.635 4.124 -2.258 1.00 0.00 C ATOM 755 O PHE A 55 5.144 3.065 -2.624 1.00 0.00 O ATOM 756 CB PHE A 55 4.024 5.861 -3.952 1.00 0.00 C ATOM 757 CG PHE A 55 3.831 4.834 -5.030 1.00 0.00 C ATOM 758 CD1 PHE A 55 4.782 4.668 -6.025 1.00 0.00 C ATOM 759 CD2 PHE A 55 2.701 4.033 -5.049 1.00 0.00 C ATOM 760 CE1 PHE A 55 4.607 3.724 -7.019 1.00 0.00 C ATOM 761 CE2 PHE A 55 2.521 3.086 -6.040 1.00 0.00 C ATOM 762 CZ PHE A 55 3.476 2.931 -7.026 1.00 0.00 C ATOM 0 H PHE A 55 6.516 4.534 -4.075 1.00 0.00 H new ATOM 0 HA PHE A 55 5.078 6.211 -2.111 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.066 6.051 -3.467 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.342 6.799 -4.408 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.670 5.283 -6.023 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.951 4.150 -4.280 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.354 3.606 -7.790 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.635 2.468 -6.043 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.339 2.191 -7.801 1.00 0.00 H new ATOM 772 N TRP A 56 3.712 4.192 -1.306 1.00 0.00 N ATOM 773 CA TRP A 56 3.231 2.998 -0.621 1.00 0.00 C ATOM 774 C TRP A 56 2.372 2.146 -1.548 1.00 0.00 C ATOM 775 O TRP A 56 2.000 2.582 -2.638 1.00 0.00 O ATOM 776 CB TRP A 56 2.430 3.386 0.623 1.00 0.00 C ATOM 777 CG TRP A 56 3.250 4.088 1.663 1.00 0.00 C ATOM 778 CD1 TRP A 56 3.126 5.387 2.066 1.00 0.00 C ATOM 779 CD2 TRP A 56 4.322 3.528 2.431 1.00 0.00 C ATOM 780 NE1 TRP A 56 4.056 5.669 3.037 1.00 0.00 N ATOM 781 CE2 TRP A 56 4.801 4.545 3.280 1.00 0.00 C ATOM 782 CE3 TRP A 56 4.921 2.267 2.485 1.00 0.00 C ATOM 783 CZ2 TRP A 56 5.852 4.337 4.170 1.00 0.00 C ATOM 784 CZ3 TRP A 56 5.964 2.063 3.368 1.00 0.00 C ATOM 785 CH2 TRP A 56 6.420 3.093 4.201 1.00 0.00 C ATOM 0 H TRP A 56 3.282 5.061 -0.991 1.00 0.00 H new ATOM 0 HA TRP A 56 4.098 2.410 -0.318 1.00 0.00 H new ATOM 0 HB2 TRP A 56 1.603 4.031 0.327 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.994 2.488 1.060 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.403 6.089 1.678 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.173 6.569 3.502 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.575 1.466 1.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.206 5.130 4.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.436 1.093 3.417 1.00 0.00 H new ATOM 0 HH2 TRP A 56 7.236 2.901 4.881 1.00 0.00 H new ATOM 796 N ILE A 57 2.061 0.931 -1.110 1.00 0.00 N ATOM 797 CA ILE A 57 1.244 0.020 -1.902 1.00 0.00 C ATOM 798 C ILE A 57 0.326 -0.811 -1.011 1.00 0.00 C ATOM 799 O ILE A 57 0.306 -0.641 0.207 1.00 0.00 O ATOM 800 CB ILE A 57 2.116 -0.927 -2.747 1.00 0.00 C ATOM 801 CG1 ILE A 57 3.147 -1.632 -1.863 1.00 0.00 C ATOM 802 CG2 ILE A 57 2.805 -0.157 -3.864 1.00 0.00 C ATOM 803 CD1 ILE A 57 3.886 -2.747 -2.568 1.00 0.00 C ATOM 0 H ILE A 57 2.362 0.555 -0.211 1.00 0.00 H new ATOM 0 HA ILE A 57 0.640 0.636 -2.568 1.00 0.00 H new ATOM 0 HB ILE A 57 1.474 -1.684 -3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.869 -0.898 -1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.644 -2.038 -0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.418 -0.840 -4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.054 0.302 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.438 0.619 -3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.600 -3.201 -1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.174 -3.501 -2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.418 -2.343 -3.430 1.00 0.00 H new ATOM 815 N GLY A 58 -0.431 -1.713 -1.628 1.00 0.00 N ATOM 816 CA GLY A 58 -1.339 -2.559 -0.876 1.00 0.00 C ATOM 817 C GLY A 58 -0.612 -3.608 -0.060 1.00 0.00 C ATOM 818 O GLY A 58 -1.211 -4.271 0.788 1.00 0.00 O ATOM 0 H GLY A 58 -0.432 -1.873 -2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.942 -1.940 -0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.027 -3.051 -1.564 1.00 0.00 H new ATOM 822 N LEU A 59 0.683 -3.762 -0.315 1.00 0.00 N ATOM 823 CA LEU A 59 1.493 -4.740 0.402 1.00 0.00 C ATOM 824 C LEU A 59 1.904 -4.208 1.771 1.00 0.00 C ATOM 825 O LEU A 59 2.574 -3.181 1.874 1.00 0.00 O ATOM 826 CB LEU A 59 2.737 -5.097 -0.414 1.00 0.00 C ATOM 827 CG LEU A 59 3.358 -6.465 -0.127 1.00 0.00 C ATOM 828 CD1 LEU A 59 2.329 -7.568 -0.317 1.00 0.00 C ATOM 829 CD2 LEU A 59 4.567 -6.700 -1.022 1.00 0.00 C ATOM 0 H LEU A 59 1.194 -3.222 -1.013 1.00 0.00 H new ATOM 0 HA LEU A 59 0.891 -5.637 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.478 -5.052 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.494 -4.333 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 59 3.691 -6.482 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.789 -8.534 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.494 -7.408 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.965 -7.553 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.996 -7.678 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.259 -6.664 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.313 -5.927 -0.837 1.00 0.00 H new ATOM 841 N PHE A 60 1.499 -4.916 2.821 1.00 0.00 N ATOM 842 CA PHE A 60 1.826 -4.516 4.184 1.00 0.00 C ATOM 843 C PHE A 60 1.921 -5.732 5.100 1.00 0.00 C ATOM 844 O PHE A 60 1.116 -6.659 5.006 1.00 0.00 O ATOM 845 CB PHE A 60 0.774 -3.542 4.719 1.00 0.00 C ATOM 846 CG PHE A 60 -0.538 -4.196 5.045 1.00 0.00 C ATOM 847 CD1 PHE A 60 -0.690 -4.932 6.209 1.00 0.00 C ATOM 848 CD2 PHE A 60 -1.619 -4.076 4.187 1.00 0.00 C ATOM 849 CE1 PHE A 60 -1.896 -5.536 6.511 1.00 0.00 C ATOM 850 CE2 PHE A 60 -2.828 -4.677 4.484 1.00 0.00 C ATOM 851 CZ PHE A 60 -2.967 -5.407 5.648 1.00 0.00 C ATOM 0 H PHE A 60 0.944 -5.769 2.753 1.00 0.00 H new ATOM 0 HA PHE A 60 2.796 -4.019 4.167 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.162 -3.057 5.615 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.607 -2.759 3.980 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.143 -5.035 6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.516 -3.506 3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.001 -6.108 7.421 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.663 -4.576 3.806 1.00 0.00 H new ATOM 0 HZ PHE A 60 -3.911 -5.876 5.883 1.00 0.00 H new ATOM 861 N LYS A 61 2.911 -5.723 5.986 1.00 0.00 N ATOM 862 CA LYS A 61 3.113 -6.823 6.921 1.00 0.00 C ATOM 863 C LYS A 61 2.110 -6.754 8.068 1.00 0.00 C ATOM 864 O LYS A 61 1.778 -5.672 8.549 1.00 0.00 O ATOM 865 CB LYS A 61 4.540 -6.795 7.474 1.00 0.00 C ATOM 866 CG LYS A 61 4.858 -7.959 8.396 1.00 0.00 C ATOM 867 CD LYS A 61 6.357 -8.176 8.522 1.00 0.00 C ATOM 868 CE LYS A 61 6.926 -8.864 7.290 1.00 0.00 C ATOM 869 NZ LYS A 61 8.388 -9.116 7.421 1.00 0.00 N ATOM 0 H LYS A 61 3.587 -4.965 6.076 1.00 0.00 H new ATOM 0 HA LYS A 61 2.958 -7.758 6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.243 -6.799 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.693 -5.861 8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.432 -7.771 9.382 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.389 -8.866 8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.854 -7.217 8.666 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.565 -8.779 9.406 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.407 -9.809 7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.741 -8.246 6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.738 -9.586 6.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.886 -8.212 7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.563 -9.726 8.245 1.00 0.00 H new ATOM 883 N ASN A 62 1.634 -7.917 8.502 1.00 0.00 N ATOM 884 CA ASN A 62 0.669 -7.987 9.594 1.00 0.00 C ATOM 885 C ASN A 62 1.349 -8.404 10.894 1.00 0.00 C ATOM 886 O ASN A 62 2.558 -8.636 10.928 1.00 0.00 O ATOM 887 CB ASN A 62 -0.449 -8.974 9.251 1.00 0.00 C ATOM 888 CG ASN A 62 -1.757 -8.625 9.934 1.00 0.00 C ATOM 889 OD1 ASN A 62 -1.898 -7.550 10.518 1.00 0.00 O ATOM 890 ND2 ASN A 62 -2.722 -9.534 9.864 1.00 0.00 N ATOM 0 H ASN A 62 1.900 -8.822 8.115 1.00 0.00 H new ATOM 0 HA ASN A 62 0.240 -6.995 9.731 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.599 -8.989 8.171 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.146 -9.979 9.545 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.624 -9.355 10.305 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.561 -10.411 9.369 1.00 0.00 H new ATOM 897 N SER A 63 0.564 -8.498 11.963 1.00 0.00 N ATOM 898 CA SER A 63 1.091 -8.884 13.266 1.00 0.00 C ATOM 899 C SER A 63 1.880 -10.187 13.170 1.00 0.00 C ATOM 900 O SER A 63 3.060 -10.238 13.516 1.00 0.00 O ATOM 901 CB SER A 63 -0.049 -9.039 14.275 1.00 0.00 C ATOM 902 OG SER A 63 -0.417 -7.785 14.825 1.00 0.00 O ATOM 0 H SER A 63 -0.439 -8.312 11.952 1.00 0.00 H new ATOM 0 HA SER A 63 1.764 -8.096 13.605 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.912 -9.493 13.787 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.257 -9.714 15.074 1.00 0.00 H new ATOM 0 HG SER A 63 -1.148 -7.911 15.465 1.00 0.00 H new ATOM 908 N ASP A 64 1.218 -11.238 12.697 1.00 0.00 N ATOM 909 CA ASP A 64 1.856 -12.541 12.554 1.00 0.00 C ATOM 910 C ASP A 64 3.222 -12.407 11.887 1.00 0.00 C ATOM 911 O ASP A 64 4.186 -13.058 12.288 1.00 0.00 O ATOM 912 CB ASP A 64 0.967 -13.481 11.738 1.00 0.00 C ATOM 913 CG ASP A 64 -0.174 -14.053 12.555 1.00 0.00 C ATOM 914 OD1 ASP A 64 0.061 -14.422 13.725 1.00 0.00 O ATOM 915 OD2 ASP A 64 -1.303 -14.132 12.025 1.00 0.00 O ATOM 0 H ASP A 64 0.241 -11.213 12.406 1.00 0.00 H new ATOM 0 HA ASP A 64 1.997 -12.960 13.550 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.562 -12.941 10.882 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.572 -14.297 11.343 1.00 0.00 H new ATOM 920 N GLY A 65 3.297 -11.558 10.867 1.00 0.00 N ATOM 921 CA GLY A 65 4.548 -11.355 10.160 1.00 0.00 C ATOM 922 C GLY A 65 4.432 -11.651 8.678 1.00 0.00 C ATOM 923 O GLY A 65 5.434 -11.679 7.965 1.00 0.00 O ATOM 0 H GLY A 65 2.513 -11.007 10.517 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.876 -10.324 10.297 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.316 -11.994 10.596 1.00 0.00 H new ATOM 927 N GLN A 66 3.206 -11.874 8.215 1.00 0.00 N ATOM 928 CA GLN A 66 2.964 -12.172 6.809 1.00 0.00 C ATOM 929 C GLN A 66 2.516 -10.923 6.057 1.00 0.00 C ATOM 930 O GLN A 66 1.970 -9.992 6.649 1.00 0.00 O ATOM 931 CB GLN A 66 1.908 -13.270 6.673 1.00 0.00 C ATOM 932 CG GLN A 66 2.152 -14.465 7.580 1.00 0.00 C ATOM 933 CD GLN A 66 1.456 -15.720 7.092 1.00 0.00 C ATOM 934 OE1 GLN A 66 0.420 -16.117 7.627 1.00 0.00 O ATOM 935 NE2 GLN A 66 2.023 -16.353 6.072 1.00 0.00 N ATOM 0 H GLN A 66 2.366 -11.854 8.793 1.00 0.00 H new ATOM 0 HA GLN A 66 3.899 -12.521 6.371 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.928 -12.849 6.896 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.881 -13.610 5.638 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.224 -14.652 7.648 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.805 -14.230 8.586 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.881 -15.988 5.659 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.600 -17.204 5.701 1.00 0.00 H new ATOM 944 N PHE A 67 2.750 -10.910 4.749 1.00 0.00 N ATOM 945 CA PHE A 67 2.372 -9.774 3.916 1.00 0.00 C ATOM 946 C PHE A 67 0.975 -9.968 3.333 1.00 0.00 C ATOM 947 O PHE A 67 0.687 -10.991 2.712 1.00 0.00 O ATOM 948 CB PHE A 67 3.386 -9.583 2.786 1.00 0.00 C ATOM 949 CG PHE A 67 4.700 -9.021 3.249 1.00 0.00 C ATOM 950 CD1 PHE A 67 4.834 -7.668 3.515 1.00 0.00 C ATOM 951 CD2 PHE A 67 5.800 -9.846 3.418 1.00 0.00 C ATOM 952 CE1 PHE A 67 6.043 -7.149 3.940 1.00 0.00 C ATOM 953 CE2 PHE A 67 7.011 -9.332 3.843 1.00 0.00 C ATOM 954 CZ PHE A 67 7.132 -7.982 4.105 1.00 0.00 C ATOM 0 H PHE A 67 3.199 -11.673 4.243 1.00 0.00 H new ATOM 0 HA PHE A 67 2.365 -8.882 4.543 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.561 -10.543 2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.960 -8.918 2.035 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.985 -7.012 3.389 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.710 -10.903 3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.136 -6.092 4.143 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.861 -9.986 3.970 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.077 -7.578 4.438 1.00 0.00 H new ATOM 964 N TYR A 68 0.112 -8.980 3.540 1.00 0.00 N ATOM 965 CA TYR A 68 -1.256 -9.043 3.039 1.00 0.00 C ATOM 966 C TYR A 68 -1.502 -7.961 1.991 1.00 0.00 C ATOM 967 O TYR A 68 -0.587 -7.232 1.609 1.00 0.00 O ATOM 968 CB TYR A 68 -2.251 -8.889 4.190 1.00 0.00 C ATOM 969 CG TYR A 68 -2.201 -10.023 5.189 1.00 0.00 C ATOM 970 CD1 TYR A 68 -1.120 -10.170 6.049 1.00 0.00 C ATOM 971 CD2 TYR A 68 -3.236 -10.946 5.274 1.00 0.00 C ATOM 972 CE1 TYR A 68 -1.070 -11.205 6.963 1.00 0.00 C ATOM 973 CE2 TYR A 68 -3.196 -11.983 6.186 1.00 0.00 C ATOM 974 CZ TYR A 68 -2.110 -12.109 7.027 1.00 0.00 C ATOM 975 OH TYR A 68 -2.065 -13.140 7.937 1.00 0.00 O ATOM 0 H TYR A 68 0.335 -8.126 4.051 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.400 -10.017 2.571 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.052 -7.951 4.708 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.259 -8.820 3.781 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.305 -9.463 6.002 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.087 -10.851 4.616 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.222 -11.306 7.624 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.010 -12.691 6.240 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.875 -13.686 7.854 1.00 0.00 H new ATOM 985 N TRP A 69 -2.744 -7.864 1.532 1.00 0.00 N ATOM 986 CA TRP A 69 -3.113 -6.872 0.529 1.00 0.00 C ATOM 987 C TRP A 69 -4.224 -5.963 1.043 1.00 0.00 C ATOM 988 O TRP A 69 -5.217 -6.435 1.597 1.00 0.00 O ATOM 989 CB TRP A 69 -3.558 -7.562 -0.762 1.00 0.00 C ATOM 990 CG TRP A 69 -2.427 -8.189 -1.520 1.00 0.00 C ATOM 991 CD1 TRP A 69 -2.232 -9.521 -1.747 1.00 0.00 C ATOM 992 CD2 TRP A 69 -1.336 -7.508 -2.150 1.00 0.00 C ATOM 993 NE1 TRP A 69 -1.085 -9.710 -2.480 1.00 0.00 N ATOM 994 CE2 TRP A 69 -0.518 -8.491 -2.740 1.00 0.00 C ATOM 995 CE3 TRP A 69 -0.972 -6.165 -2.274 1.00 0.00 C ATOM 996 CZ2 TRP A 69 0.642 -8.170 -3.442 1.00 0.00 C ATOM 997 CZ3 TRP A 69 0.179 -5.848 -2.971 1.00 0.00 C ATOM 998 CH2 TRP A 69 0.974 -6.847 -3.548 1.00 0.00 C ATOM 0 H TRP A 69 -3.513 -8.460 1.838 1.00 0.00 H new ATOM 0 HA TRP A 69 -2.236 -6.259 0.322 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -4.294 -8.329 -0.521 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -4.055 -6.833 -1.402 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -2.883 -10.310 -1.401 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -0.716 -10.612 -2.781 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.579 -5.388 -1.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.257 -8.938 -3.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 0.470 -4.813 -3.072 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.867 -6.567 -4.087 1.00 0.00 H new ATOM 1009 N ASP A 70 -4.051 -4.660 0.857 1.00 0.00 N ATOM 1010 CA ASP A 70 -5.041 -3.685 1.302 1.00 0.00 C ATOM 1011 C ASP A 70 -6.321 -3.797 0.479 1.00 0.00 C ATOM 1012 O ASP A 70 -6.295 -3.680 -0.746 1.00 0.00 O ATOM 1013 CB ASP A 70 -4.475 -2.268 1.198 1.00 0.00 C ATOM 1014 CG ASP A 70 -5.471 -1.214 1.638 1.00 0.00 C ATOM 1015 OD1 ASP A 70 -6.199 -1.460 2.623 1.00 0.00 O ATOM 1016 OD2 ASP A 70 -5.524 -0.143 0.998 1.00 0.00 O ATOM 0 H ASP A 70 -3.234 -4.253 0.401 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.281 -3.896 2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.576 -2.193 1.810 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.176 -2.074 0.168 1.00 0.00 H new ATOM 1021 N ARG A 71 -7.438 -4.025 1.162 1.00 0.00 N ATOM 1022 CA ARG A 71 -8.728 -4.155 0.494 1.00 0.00 C ATOM 1023 C ARG A 71 -9.727 -3.138 1.038 1.00 0.00 C ATOM 1024 O ARG A 71 -10.934 -3.375 1.033 1.00 0.00 O ATOM 1025 CB ARG A 71 -9.278 -5.572 0.672 1.00 0.00 C ATOM 1026 CG ARG A 71 -8.435 -6.642 -0.003 1.00 0.00 C ATOM 1027 CD ARG A 71 -8.610 -6.617 -1.513 1.00 0.00 C ATOM 1028 NE ARG A 71 -7.753 -7.594 -2.179 1.00 0.00 N ATOM 1029 CZ ARG A 71 -7.871 -7.923 -3.461 1.00 0.00 C ATOM 1030 NH1 ARG A 71 -8.806 -7.355 -4.211 1.00 0.00 N ATOM 1031 NH2 ARG A 71 -7.054 -8.821 -3.995 1.00 0.00 N ATOM 0 H ARG A 71 -7.476 -4.123 2.177 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.580 -3.961 -0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.348 -5.794 1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.291 -5.613 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.385 -6.490 0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.715 -7.623 0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.652 -6.820 -1.761 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.382 -5.619 -1.888 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.024 -8.049 -1.630 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.436 -6.664 -3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.895 -7.609 -5.195 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.334 -9.260 -3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.146 -9.073 -4.979 1.00 0.00 H new ATOM 1045 N GLY A 72 -9.213 -2.005 1.508 1.00 0.00 N ATOM 1046 CA GLY A 72 -10.074 -0.970 2.050 1.00 0.00 C ATOM 1047 C GLY A 72 -10.049 -0.929 3.565 1.00 0.00 C ATOM 1048 O GLY A 72 -9.169 -1.517 4.193 1.00 0.00 O ATOM 0 H GLY A 72 -8.217 -1.786 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.763 -0.001 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.096 -1.138 1.711 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.017 -0.233 4.153 1.00 0.00 N ATOM 1053 CA GLN A 73 -11.100 -0.117 5.604 1.00 0.00 C ATOM 1054 C GLN A 73 -12.031 -1.178 6.182 1.00 0.00 C ATOM 1055 O GLN A 73 -13.210 -1.240 5.835 1.00 0.00 O ATOM 1056 CB GLN A 73 -11.591 1.278 5.997 1.00 0.00 C ATOM 1057 CG GLN A 73 -11.467 1.569 7.484 1.00 0.00 C ATOM 1058 CD GLN A 73 -11.602 3.045 7.804 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -11.171 3.901 7.031 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -12.204 3.351 8.947 1.00 0.00 N ATOM 0 H GLN A 73 -11.754 0.259 3.647 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.102 -0.273 6.014 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.024 2.024 5.441 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.634 1.384 5.700 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.233 1.013 8.024 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.501 1.211 7.841 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.546 2.609 9.558 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -12.324 4.328 9.214 1.00 0.00 H new ATOM 1069 N GLY A 74 -11.493 -2.012 7.067 1.00 0.00 N ATOM 1070 CA GLY A 74 -12.289 -3.059 7.678 1.00 0.00 C ATOM 1071 C GLY A 74 -12.338 -4.318 6.835 1.00 0.00 C ATOM 1072 O GLY A 74 -12.278 -5.429 7.362 1.00 0.00 O ATOM 0 H GLY A 74 -10.520 -1.981 7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.878 -3.298 8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.303 -2.693 7.838 1.00 0.00 H new ATOM 1076 N ILE A 75 -12.449 -4.144 5.522 1.00 0.00 N ATOM 1077 CA ILE A 75 -12.507 -5.275 4.605 1.00 0.00 C ATOM 1078 C ILE A 75 -11.414 -6.292 4.916 1.00 0.00 C ATOM 1079 O ILE A 75 -10.310 -5.928 5.316 1.00 0.00 O ATOM 1080 CB ILE A 75 -12.367 -4.820 3.140 1.00 0.00 C ATOM 1081 CG1 ILE A 75 -13.490 -3.847 2.776 1.00 0.00 C ATOM 1082 CG2 ILE A 75 -12.377 -6.023 2.208 1.00 0.00 C ATOM 1083 CD1 ILE A 75 -14.872 -4.451 2.887 1.00 0.00 C ATOM 0 H ILE A 75 -12.501 -3.231 5.070 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.483 -5.741 4.741 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.414 -4.304 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.430 -2.975 3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -13.337 -3.494 1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -12.277 -5.685 1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.545 -6.682 2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.316 -6.565 2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -15.618 -3.705 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -14.951 -5.305 2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -15.045 -4.779 3.912 1.00 0.00 H new ATOM 1095 N ASN A 76 -11.731 -7.569 4.728 1.00 0.00 N ATOM 1096 CA ASN A 76 -10.776 -8.640 4.988 1.00 0.00 C ATOM 1097 C ASN A 76 -9.639 -8.614 3.970 1.00 0.00 C ATOM 1098 O ASN A 76 -9.851 -8.738 2.763 1.00 0.00 O ATOM 1099 CB ASN A 76 -11.478 -9.999 4.950 1.00 0.00 C ATOM 1100 CG ASN A 76 -12.614 -10.090 5.950 1.00 0.00 C ATOM 1101 OD1 ASN A 76 -13.776 -9.870 5.609 1.00 0.00 O ATOM 1102 ND2 ASN A 76 -12.282 -10.417 7.194 1.00 0.00 N ATOM 0 H ASN A 76 -12.642 -7.887 4.397 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.355 -8.484 5.981 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.865 -10.177 3.947 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.752 -10.786 5.156 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.004 -10.494 7.911 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.306 -10.591 7.432 1.00 0.00 H new ATOM 1109 N PRO A 77 -8.404 -8.449 4.466 1.00 0.00 N ATOM 1110 CA PRO A 77 -7.210 -8.404 3.618 1.00 0.00 C ATOM 1111 C PRO A 77 -6.886 -9.760 2.999 1.00 0.00 C ATOM 1112 O PRO A 77 -7.396 -10.791 3.439 1.00 0.00 O ATOM 1113 CB PRO A 77 -6.103 -7.980 4.586 1.00 0.00 C ATOM 1114 CG PRO A 77 -6.581 -8.423 5.925 1.00 0.00 C ATOM 1115 CD PRO A 77 -8.079 -8.294 5.894 1.00 0.00 C ATOM 0 HA PRO A 77 -7.337 -7.729 2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.153 -8.448 4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.945 -6.902 4.559 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.282 -9.452 6.125 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.153 -7.807 6.716 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.561 -9.060 6.502 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.407 -7.328 6.279 1.00 0.00 H new ATOM 1123 N ASP A 78 -6.037 -9.751 1.978 1.00 0.00 N ATOM 1124 CA ASP A 78 -5.644 -10.981 1.300 1.00 0.00 C ATOM 1125 C ASP A 78 -4.185 -11.318 1.589 1.00 0.00 C ATOM 1126 O ASP A 78 -3.320 -10.441 1.580 1.00 0.00 O ATOM 1127 CB ASP A 78 -5.862 -10.849 -0.208 1.00 0.00 C ATOM 1128 CG ASP A 78 -5.683 -12.167 -0.936 1.00 0.00 C ATOM 1129 OD1 ASP A 78 -6.037 -13.217 -0.359 1.00 0.00 O ATOM 1130 OD2 ASP A 78 -5.191 -12.149 -2.084 1.00 0.00 O ATOM 0 H ASP A 78 -5.608 -8.906 1.601 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.267 -11.791 1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.866 -10.467 -0.395 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.162 -10.117 -0.611 1.00 0.00 H new ATOM 1135 N LEU A 79 -3.917 -12.594 1.845 1.00 0.00 N ATOM 1136 CA LEU A 79 -2.562 -13.048 2.137 1.00 0.00 C ATOM 1137 C LEU A 79 -1.758 -13.226 0.853 1.00 0.00 C ATOM 1138 O LEU A 79 -2.209 -13.880 -0.088 1.00 0.00 O ATOM 1139 CB LEU A 79 -2.600 -14.364 2.915 1.00 0.00 C ATOM 1140 CG LEU A 79 -1.283 -14.805 3.555 1.00 0.00 C ATOM 1141 CD1 LEU A 79 -0.264 -15.165 2.485 1.00 0.00 C ATOM 1142 CD2 LEU A 79 -0.741 -13.712 4.465 1.00 0.00 C ATOM 0 H LEU A 79 -4.620 -13.333 1.856 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.074 -12.287 2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.351 -14.277 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.934 -15.152 2.240 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.473 -15.692 4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.667 -15.476 2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.651 -15.981 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.077 -14.296 1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.196 -14.043 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.566 -12.807 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.465 -13.502 5.253 1.00 0.00 H new ATOM 1154 N LEU A 80 -0.565 -12.643 0.822 1.00 0.00 N ATOM 1155 CA LEU A 80 0.303 -12.739 -0.346 1.00 0.00 C ATOM 1156 C LEU A 80 0.714 -14.185 -0.601 1.00 0.00 C ATOM 1157 O LEU A 80 1.682 -14.677 -0.023 1.00 0.00 O ATOM 1158 CB LEU A 80 1.547 -11.870 -0.154 1.00 0.00 C ATOM 1159 CG LEU A 80 2.542 -11.855 -1.315 1.00 0.00 C ATOM 1160 CD1 LEU A 80 2.117 -10.845 -2.369 1.00 0.00 C ATOM 1161 CD2 LEU A 80 3.945 -11.547 -0.812 1.00 0.00 C ATOM 0 H LEU A 80 -0.177 -12.099 1.592 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.253 -12.380 -1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.225 -10.846 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.069 -12.210 0.741 1.00 0.00 H new ATOM 0 HG LEU A 80 2.552 -12.844 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.837 -10.848 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.132 -11.111 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.077 -9.850 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.639 -11.541 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.952 -10.570 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.250 -12.309 -0.095 1.00 0.00 H new ATOM 1173 N ASN A 81 -0.027 -14.861 -1.474 1.00 0.00 N ATOM 1174 CA ASN A 81 0.261 -16.251 -1.807 1.00 0.00 C ATOM 1175 C ASN A 81 0.552 -16.404 -3.297 1.00 0.00 C ATOM 1176 O ASN A 81 0.331 -17.466 -3.877 1.00 0.00 O ATOM 1177 CB ASN A 81 -0.914 -17.146 -1.411 1.00 0.00 C ATOM 1178 CG ASN A 81 -2.077 -17.035 -2.379 1.00 0.00 C ATOM 1179 OD1 ASN A 81 -2.504 -15.935 -2.729 1.00 0.00 O ATOM 1180 ND2 ASN A 81 -2.595 -18.178 -2.814 1.00 0.00 N ATOM 0 H ASN A 81 -0.831 -14.468 -1.963 1.00 0.00 H new ATOM 0 HA ASN A 81 1.146 -16.557 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.579 -18.182 -1.367 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.251 -16.877 -0.410 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.380 -18.167 -3.466 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.208 -19.067 -2.496 1.00 0.00 H new ATOM 1187 N GLN A 82 1.051 -15.334 -3.910 1.00 0.00 N ATOM 1188 CA GLN A 82 1.372 -15.350 -5.332 1.00 0.00 C ATOM 1189 C GLN A 82 2.786 -15.872 -5.565 1.00 0.00 C ATOM 1190 O GLN A 82 3.711 -15.589 -4.804 1.00 0.00 O ATOM 1191 CB GLN A 82 1.229 -13.947 -5.924 1.00 0.00 C ATOM 1192 CG GLN A 82 2.128 -12.914 -5.264 1.00 0.00 C ATOM 1193 CD GLN A 82 1.824 -11.500 -5.718 1.00 0.00 C ATOM 1194 OE1 GLN A 82 0.663 -11.096 -5.793 1.00 0.00 O ATOM 1195 NE2 GLN A 82 2.868 -10.739 -6.026 1.00 0.00 N ATOM 0 H GLN A 82 1.241 -14.447 -3.444 1.00 0.00 H new ATOM 0 HA GLN A 82 0.671 -16.020 -5.830 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.456 -13.986 -6.989 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.191 -13.626 -5.831 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.013 -12.977 -4.182 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.169 -13.148 -5.488 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.813 -11.115 -5.949 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.725 -9.779 -6.339 1.00 0.00 H new ATOM 1204 N PRO A 83 2.959 -16.653 -6.642 1.00 0.00 N ATOM 1205 CA PRO A 83 4.258 -17.230 -7.000 1.00 0.00 C ATOM 1206 C PRO A 83 5.248 -16.176 -7.483 1.00 0.00 C ATOM 1207 O PRO A 83 6.459 -16.323 -7.312 1.00 0.00 O ATOM 1208 CB PRO A 83 3.915 -18.200 -8.133 1.00 0.00 C ATOM 1209 CG PRO A 83 2.661 -17.659 -8.728 1.00 0.00 C ATOM 1210 CD PRO A 83 1.901 -17.031 -7.593 1.00 0.00 C ATOM 0 HA PRO A 83 4.742 -17.704 -6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.716 -18.246 -8.871 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.770 -19.213 -7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.882 -16.925 -9.503 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.078 -18.452 -9.197 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.329 -16.164 -7.923 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.192 -17.730 -7.149 1.00 0.00 H new ATOM 1218 N ILE A 84 4.726 -15.113 -8.087 1.00 0.00 N ATOM 1219 CA ILE A 84 5.565 -14.034 -8.593 1.00 0.00 C ATOM 1220 C ILE A 84 5.688 -12.909 -7.572 1.00 0.00 C ATOM 1221 O ILE A 84 4.692 -12.449 -7.013 1.00 0.00 O ATOM 1222 CB ILE A 84 5.008 -13.459 -9.909 1.00 0.00 C ATOM 1223 CG1 ILE A 84 4.988 -14.538 -10.994 1.00 0.00 C ATOM 1224 CG2 ILE A 84 5.838 -12.265 -10.358 1.00 0.00 C ATOM 1225 CD1 ILE A 84 4.352 -14.081 -12.288 1.00 0.00 C ATOM 0 H ILE A 84 3.726 -14.976 -8.238 1.00 0.00 H new ATOM 0 HA ILE A 84 6.550 -14.461 -8.780 1.00 0.00 H new ATOM 0 HB ILE A 84 3.985 -13.123 -9.738 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.010 -14.859 -11.194 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.448 -15.408 -10.620 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.432 -11.869 -11.289 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.807 -11.491 -9.591 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.870 -12.578 -10.516 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.372 -14.896 -13.011 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.319 -13.787 -12.102 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.906 -13.230 -12.685 1.00 0.00 H new ATOM 1237 N THR A 85 6.919 -12.467 -7.332 1.00 0.00 N ATOM 1238 CA THR A 85 7.174 -11.394 -6.379 1.00 0.00 C ATOM 1239 C THR A 85 8.195 -10.403 -6.926 1.00 0.00 C ATOM 1240 O THR A 85 8.851 -10.666 -7.934 1.00 0.00 O ATOM 1241 CB THR A 85 7.683 -11.947 -5.034 1.00 0.00 C ATOM 1242 OG1 THR A 85 8.733 -12.894 -5.260 1.00 0.00 O ATOM 1243 CG2 THR A 85 6.554 -12.610 -4.260 1.00 0.00 C ATOM 0 H THR A 85 7.755 -12.836 -7.785 1.00 0.00 H new ATOM 0 HA THR A 85 6.225 -10.882 -6.218 1.00 0.00 H new ATOM 0 HB THR A 85 8.066 -11.114 -4.445 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.052 -13.240 -4.400 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.937 -12.993 -3.314 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.769 -11.880 -4.065 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.146 -13.433 -4.846 1.00 0.00 H new ATOM 1251 N TYR A 86 8.324 -9.263 -6.256 1.00 0.00 N ATOM 1252 CA TYR A 86 9.264 -8.231 -6.677 1.00 0.00 C ATOM 1253 C TYR A 86 10.227 -7.879 -5.548 1.00 0.00 C ATOM 1254 O TYR A 86 10.992 -6.919 -5.647 1.00 0.00 O ATOM 1255 CB TYR A 86 8.510 -6.979 -7.129 1.00 0.00 C ATOM 1256 CG TYR A 86 7.509 -7.240 -8.232 1.00 0.00 C ATOM 1257 CD1 TYR A 86 7.923 -7.421 -9.545 1.00 0.00 C ATOM 1258 CD2 TYR A 86 6.148 -7.305 -7.960 1.00 0.00 C ATOM 1259 CE1 TYR A 86 7.012 -7.659 -10.556 1.00 0.00 C ATOM 1260 CE2 TYR A 86 5.229 -7.544 -8.964 1.00 0.00 C ATOM 1261 CZ TYR A 86 5.666 -7.720 -10.260 1.00 0.00 C ATOM 1262 OH TYR A 86 4.755 -7.957 -11.263 1.00 0.00 O ATOM 0 H TYR A 86 7.789 -9.030 -5.419 1.00 0.00 H new ATOM 0 HA TYR A 86 9.842 -8.621 -7.515 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.990 -6.549 -6.273 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.230 -6.235 -7.471 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.976 -7.375 -9.780 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.802 -7.166 -6.946 1.00 0.00 H new ATOM 0 HE1 TYR A 86 7.352 -7.796 -11.572 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.175 -7.593 -8.735 1.00 0.00 H new ATOM 0 HH TYR A 86 4.153 -8.682 -10.994 1.00 0.00 H new ATOM 1272 N TRP A 87 10.184 -8.662 -4.476 1.00 0.00 N ATOM 1273 CA TRP A 87 11.053 -8.433 -3.328 1.00 0.00 C ATOM 1274 C TRP A 87 12.468 -8.088 -3.776 1.00 0.00 C ATOM 1275 O TRP A 87 13.084 -8.828 -4.543 1.00 0.00 O ATOM 1276 CB TRP A 87 11.077 -9.669 -2.427 1.00 0.00 C ATOM 1277 CG TRP A 87 9.742 -9.994 -1.827 1.00 0.00 C ATOM 1278 CD1 TRP A 87 8.992 -11.112 -2.054 1.00 0.00 C ATOM 1279 CD2 TRP A 87 9.000 -9.190 -0.903 1.00 0.00 C ATOM 1280 NE1 TRP A 87 7.827 -11.052 -1.327 1.00 0.00 N ATOM 1281 CE2 TRP A 87 7.809 -9.883 -0.612 1.00 0.00 C ATOM 1282 CE3 TRP A 87 9.227 -7.954 -0.292 1.00 0.00 C ATOM 1283 CZ2 TRP A 87 6.850 -9.379 0.262 1.00 0.00 C ATOM 1284 CZ3 TRP A 87 8.273 -7.455 0.575 1.00 0.00 C ATOM 1285 CH2 TRP A 87 7.097 -8.167 0.846 1.00 0.00 C ATOM 0 H TRP A 87 9.557 -9.461 -4.378 1.00 0.00 H new ATOM 0 HA TRP A 87 10.655 -7.589 -2.765 1.00 0.00 H new ATOM 0 HB2 TRP A 87 11.425 -10.525 -3.006 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.799 -9.511 -1.625 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.273 -11.924 -2.708 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.095 -11.762 -1.321 1.00 0.00 H new ATOM 0 HE3 TRP A 87 10.131 -7.399 -0.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 5.943 -9.926 0.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 8.437 -6.500 1.052 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.372 -7.751 1.529 1.00 0.00 H new ATOM 1296 N ALA A 88 12.979 -6.960 -3.294 1.00 0.00 N ATOM 1297 CA ALA A 88 14.323 -6.519 -3.644 1.00 0.00 C ATOM 1298 C ALA A 88 15.367 -7.542 -3.210 1.00 0.00 C ATOM 1299 O ALA A 88 15.034 -8.578 -2.637 1.00 0.00 O ATOM 1300 CB ALA A 88 14.615 -5.165 -3.014 1.00 0.00 C ATOM 0 H ALA A 88 12.482 -6.335 -2.660 1.00 0.00 H new ATOM 0 HA ALA A 88 14.376 -6.422 -4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 88 15.622 -4.848 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.894 -4.432 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.538 -5.244 -1.930 1.00 0.00 H new ATOM 1306 N ASN A 89 16.632 -7.244 -3.488 1.00 0.00 N ATOM 1307 CA ASN A 89 17.726 -8.139 -3.127 1.00 0.00 C ATOM 1308 C ASN A 89 17.764 -8.371 -1.620 1.00 0.00 C ATOM 1309 O ASN A 89 18.244 -7.528 -0.863 1.00 0.00 O ATOM 1310 CB ASN A 89 19.062 -7.563 -3.600 1.00 0.00 C ATOM 1311 CG ASN A 89 19.348 -6.200 -3.001 1.00 0.00 C ATOM 1312 OD1 ASN A 89 18.499 -5.615 -2.327 1.00 0.00 O ATOM 1313 ND2 ASN A 89 20.548 -5.686 -3.245 1.00 0.00 N ATOM 0 H ASN A 89 16.925 -6.390 -3.962 1.00 0.00 H new ATOM 0 HA ASN A 89 17.557 -9.096 -3.620 1.00 0.00 H new ATOM 0 HB2 ASN A 89 19.865 -8.250 -3.334 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.057 -7.485 -4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 89 20.797 -4.771 -2.869 1.00 0.00 H new ATOM 0 HD22 ASN A 89 21.220 -6.206 -3.809 1.00 0.00 H new ATOM 1320 N GLY A 90 17.254 -9.522 -1.190 1.00 0.00 N ATOM 1321 CA GLY A 90 17.240 -9.845 0.225 1.00 0.00 C ATOM 1322 C GLY A 90 15.861 -9.708 0.837 1.00 0.00 C ATOM 1323 O GLY A 90 15.528 -10.407 1.794 1.00 0.00 O ATOM 0 H GLY A 90 16.851 -10.236 -1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.597 -10.865 0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 90 17.934 -9.190 0.751 1.00 0.00 H new ATOM 1327 N GLU A 91 15.057 -8.804 0.285 1.00 0.00 N ATOM 1328 CA GLU A 91 13.706 -8.577 0.785 1.00 0.00 C ATOM 1329 C GLU A 91 12.851 -9.833 0.634 1.00 0.00 C ATOM 1330 O GLU A 91 13.089 -10.675 -0.232 1.00 0.00 O ATOM 1331 CB GLU A 91 13.053 -7.410 0.043 1.00 0.00 C ATOM 1332 CG GLU A 91 13.666 -6.059 0.374 1.00 0.00 C ATOM 1333 CD GLU A 91 13.791 -5.825 1.867 1.00 0.00 C ATOM 1334 OE1 GLU A 91 12.777 -5.985 2.578 1.00 0.00 O ATOM 1335 OE2 GLU A 91 14.901 -5.481 2.323 1.00 0.00 O ATOM 0 H GLU A 91 15.318 -8.218 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 91 13.775 -8.331 1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.133 -7.583 -1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.990 -7.386 0.284 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.652 -5.990 -0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.055 -5.270 -0.064 1.00 0.00 H new ATOM 1342 N PRO A 92 11.832 -9.962 1.496 1.00 0.00 N ATOM 1343 CA PRO A 92 11.540 -8.966 2.531 1.00 0.00 C ATOM 1344 C PRO A 92 12.597 -8.946 3.631 1.00 0.00 C ATOM 1345 O PRO A 92 13.336 -9.913 3.812 1.00 0.00 O ATOM 1346 CB PRO A 92 10.192 -9.423 3.094 1.00 0.00 C ATOM 1347 CG PRO A 92 10.144 -10.887 2.819 1.00 0.00 C ATOM 1348 CD PRO A 92 10.887 -11.090 1.527 1.00 0.00 C ATOM 0 HA PRO A 92 11.528 -7.953 2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.119 -9.218 4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.365 -8.902 2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.607 -11.452 3.628 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.114 -11.235 2.736 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.405 -12.049 1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.214 -11.074 0.670 1.00 0.00 H new ATOM 1356 N SER A 93 12.661 -7.838 4.363 1.00 0.00 N ATOM 1357 CA SER A 93 13.630 -7.691 5.443 1.00 0.00 C ATOM 1358 C SER A 93 13.094 -8.291 6.739 1.00 0.00 C ATOM 1359 O SER A 93 11.887 -8.466 6.902 1.00 0.00 O ATOM 1360 CB SER A 93 13.970 -6.214 5.654 1.00 0.00 C ATOM 1361 OG SER A 93 15.295 -6.060 6.134 1.00 0.00 O ATOM 0 H SER A 93 12.054 -7.030 4.228 1.00 0.00 H new ATOM 0 HA SER A 93 14.535 -8.228 5.161 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.855 -5.673 4.715 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.269 -5.774 6.363 1.00 0.00 H new ATOM 0 HG SER A 93 15.277 -5.619 7.009 1.00 0.00 H new ATOM 1367 N ASN A 94 14.001 -8.605 7.658 1.00 0.00 N ATOM 1368 CA ASN A 94 13.620 -9.186 8.941 1.00 0.00 C ATOM 1369 C ASN A 94 13.778 -8.169 10.067 1.00 0.00 C ATOM 1370 O ASN A 94 14.117 -8.525 11.196 1.00 0.00 O ATOM 1371 CB ASN A 94 14.468 -10.425 9.234 1.00 0.00 C ATOM 1372 CG ASN A 94 13.947 -11.662 8.530 1.00 0.00 C ATOM 1373 OD1 ASN A 94 13.295 -12.510 9.140 1.00 0.00 O ATOM 1374 ND2 ASN A 94 14.234 -11.772 7.238 1.00 0.00 N ATOM 0 H ASN A 94 15.005 -8.467 7.539 1.00 0.00 H new ATOM 0 HA ASN A 94 12.571 -9.477 8.884 1.00 0.00 H new ATOM 0 HB2 ASN A 94 15.496 -10.240 8.924 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.487 -10.603 10.309 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.911 -12.583 6.711 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.777 -11.045 6.773 1.00 0.00 H new ATOM 1381 N ASP A 95 13.529 -6.903 9.753 1.00 0.00 N ATOM 1382 CA ASP A 95 13.642 -5.834 10.738 1.00 0.00 C ATOM 1383 C ASP A 95 12.303 -5.584 11.425 1.00 0.00 C ATOM 1384 O ASP A 95 11.250 -5.539 10.788 1.00 0.00 O ATOM 1385 CB ASP A 95 14.135 -4.548 10.073 1.00 0.00 C ATOM 1386 CG ASP A 95 15.556 -4.671 9.557 1.00 0.00 C ATOM 1387 OD1 ASP A 95 16.494 -4.580 10.376 1.00 0.00 O ATOM 1388 OD2 ASP A 95 15.729 -4.858 8.334 1.00 0.00 O ATOM 0 H ASP A 95 13.247 -6.592 8.823 1.00 0.00 H new ATOM 0 HA ASP A 95 14.365 -6.144 11.492 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.472 -4.293 9.246 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.081 -3.728 10.789 1.00 0.00 H new ATOM 1393 N PRO A 96 12.341 -5.419 12.755 1.00 0.00 N ATOM 1394 CA PRO A 96 11.139 -5.172 13.557 1.00 0.00 C ATOM 1395 C PRO A 96 10.547 -3.790 13.304 1.00 0.00 C ATOM 1396 O PRO A 96 9.346 -3.576 13.474 1.00 0.00 O ATOM 1397 CB PRO A 96 11.645 -5.282 14.998 1.00 0.00 C ATOM 1398 CG PRO A 96 13.096 -4.953 14.916 1.00 0.00 C ATOM 1399 CD PRO A 96 13.561 -5.460 13.579 1.00 0.00 C ATOM 0 HA PRO A 96 10.338 -5.872 13.317 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.119 -4.591 15.656 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.488 -6.284 15.397 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.258 -3.879 15.004 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.650 -5.426 15.727 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.348 -4.832 13.163 1.00 0.00 H new ATOM 0 HD3 PRO A 96 13.964 -6.470 13.650 1.00 0.00 H new ATOM 1407 N THR A 97 11.398 -2.852 12.897 1.00 0.00 N ATOM 1408 CA THR A 97 10.959 -1.490 12.621 1.00 0.00 C ATOM 1409 C THR A 97 10.287 -1.395 11.257 1.00 0.00 C ATOM 1410 O THR A 97 9.370 -0.597 11.060 1.00 0.00 O ATOM 1411 CB THR A 97 12.138 -0.500 12.671 1.00 0.00 C ATOM 1412 OG1 THR A 97 13.133 -0.873 11.712 1.00 0.00 O ATOM 1413 CG2 THR A 97 12.755 -0.463 14.061 1.00 0.00 C ATOM 0 H THR A 97 12.395 -3.011 12.751 1.00 0.00 H new ATOM 0 HA THR A 97 10.239 -1.226 13.396 1.00 0.00 H new ATOM 0 HB THR A 97 11.759 0.494 12.432 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.878 -0.237 11.749 1.00 0.00 H new ATOM 0 HG21 THR A 97 13.585 0.243 14.072 1.00 0.00 H new ATOM 0 HG22 THR A 97 12.003 -0.149 14.785 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.120 -1.456 14.324 1.00 0.00 H new ATOM 1421 N ARG A 98 10.748 -2.213 10.316 1.00 0.00 N ATOM 1422 CA ARG A 98 10.191 -2.219 8.969 1.00 0.00 C ATOM 1423 C ARG A 98 9.156 -3.330 8.814 1.00 0.00 C ATOM 1424 O ARG A 98 9.487 -4.513 8.882 1.00 0.00 O ATOM 1425 CB ARG A 98 11.305 -2.398 7.935 1.00 0.00 C ATOM 1426 CG ARG A 98 12.509 -1.502 8.176 1.00 0.00 C ATOM 1427 CD ARG A 98 13.722 -1.977 7.392 1.00 0.00 C ATOM 1428 NE ARG A 98 13.781 -1.381 6.060 1.00 0.00 N ATOM 1429 CZ ARG A 98 14.856 -1.426 5.281 1.00 0.00 C ATOM 1430 NH1 ARG A 98 15.955 -2.038 5.698 1.00 0.00 N ATOM 1431 NH2 ARG A 98 14.832 -0.860 4.081 1.00 0.00 N ATOM 0 H ARG A 98 11.506 -2.880 10.462 1.00 0.00 H new ATOM 0 HA ARG A 98 9.699 -1.261 8.802 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.630 -3.438 7.940 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.904 -2.194 6.942 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.266 -0.479 7.888 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.745 -1.486 9.240 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.629 -1.727 7.942 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.693 -3.063 7.302 1.00 0.00 H new ATOM 0 HE ARG A 98 12.951 -0.904 5.708 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.977 -2.476 6.619 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.779 -2.071 5.098 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.987 -0.390 3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.658 -0.895 3.484 1.00 0.00 H new ATOM 1445 N GLN A 99 7.903 -2.938 8.607 1.00 0.00 N ATOM 1446 CA GLN A 99 6.820 -3.901 8.444 1.00 0.00 C ATOM 1447 C GLN A 99 6.053 -3.644 7.151 1.00 0.00 C ATOM 1448 O GLN A 99 5.591 -4.577 6.494 1.00 0.00 O ATOM 1449 CB GLN A 99 5.866 -3.834 9.638 1.00 0.00 C ATOM 1450 CG GLN A 99 6.576 -3.725 10.978 1.00 0.00 C ATOM 1451 CD GLN A 99 5.774 -4.329 12.114 1.00 0.00 C ATOM 1452 OE1 GLN A 99 4.962 -3.651 12.744 1.00 0.00 O ATOM 1453 NE2 GLN A 99 5.997 -5.610 12.381 1.00 0.00 N ATOM 0 H GLN A 99 7.613 -1.962 8.548 1.00 0.00 H new ATOM 0 HA GLN A 99 7.258 -4.898 8.393 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.204 -2.977 9.516 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.237 -4.724 9.641 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.542 -4.225 10.915 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.774 -2.675 11.196 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.679 -6.134 11.833 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.486 -6.070 13.134 1.00 0.00 H new ATOM 1462 N CYS A 100 5.921 -2.371 6.790 1.00 0.00 N ATOM 1463 CA CYS A 100 5.209 -1.990 5.576 1.00 0.00 C ATOM 1464 C CYS A 100 6.138 -2.032 4.366 1.00 0.00 C ATOM 1465 O CYS A 100 7.361 -2.038 4.508 1.00 0.00 O ATOM 1466 CB CYS A 100 4.613 -0.589 5.728 1.00 0.00 C ATOM 1467 SG CYS A 100 3.364 -0.452 7.047 1.00 0.00 S ATOM 0 H CYS A 100 6.298 -1.586 7.321 1.00 0.00 H new ATOM 0 HA CYS A 100 4.402 -2.705 5.417 1.00 0.00 H new ATOM 0 HB2 CYS A 100 5.418 0.117 5.930 1.00 0.00 H new ATOM 0 HB3 CYS A 100 4.160 -0.294 4.781 1.00 0.00 H new ATOM 1472 N VAL A 101 5.548 -2.059 3.175 1.00 0.00 N ATOM 1473 CA VAL A 101 6.321 -2.098 1.939 1.00 0.00 C ATOM 1474 C VAL A 101 5.932 -0.953 1.011 1.00 0.00 C ATOM 1475 O VAL A 101 4.753 -0.625 0.873 1.00 0.00 O ATOM 1476 CB VAL A 101 6.127 -3.434 1.198 1.00 0.00 C ATOM 1477 CG1 VAL A 101 7.057 -3.519 -0.002 1.00 0.00 C ATOM 1478 CG2 VAL A 101 6.354 -4.605 2.143 1.00 0.00 C ATOM 0 H VAL A 101 4.537 -2.055 3.040 1.00 0.00 H new ATOM 0 HA VAL A 101 7.370 -1.995 2.218 1.00 0.00 H new ATOM 0 HB VAL A 101 5.100 -3.483 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.906 -4.470 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.841 -2.700 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 101 8.092 -3.448 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.213 -5.541 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.369 -4.563 2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.643 -4.551 2.967 1.00 0.00 H new ATOM 1488 N TYR A 102 6.930 -0.348 0.376 1.00 0.00 N ATOM 1489 CA TYR A 102 6.692 0.762 -0.539 1.00 0.00 C ATOM 1490 C TYR A 102 7.413 0.539 -1.865 1.00 0.00 C ATOM 1491 O TYR A 102 8.576 0.136 -1.892 1.00 0.00 O ATOM 1492 CB TYR A 102 7.154 2.077 0.091 1.00 0.00 C ATOM 1493 CG TYR A 102 8.634 2.340 -0.072 1.00 0.00 C ATOM 1494 CD1 TYR A 102 9.152 2.776 -1.285 1.00 0.00 C ATOM 1495 CD2 TYR A 102 9.515 2.151 0.986 1.00 0.00 C ATOM 1496 CE1 TYR A 102 10.504 3.016 -1.440 1.00 0.00 C ATOM 1497 CE2 TYR A 102 10.867 2.390 0.841 1.00 0.00 C ATOM 1498 CZ TYR A 102 11.357 2.823 -0.374 1.00 0.00 C ATOM 1499 OH TYR A 102 12.704 3.061 -0.522 1.00 0.00 O ATOM 0 H TYR A 102 7.911 -0.608 0.478 1.00 0.00 H new ATOM 0 HA TYR A 102 5.621 0.816 -0.734 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.596 2.900 -0.356 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.910 2.066 1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 102 8.486 2.930 -2.121 1.00 0.00 H new ATOM 0 HD2 TYR A 102 9.135 1.811 1.938 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.890 3.353 -2.391 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.537 2.239 1.674 1.00 0.00 H new ATOM 0 HH TYR A 102 12.995 2.754 -1.406 1.00 0.00 H new ATOM 1509 N PHE A 103 6.714 0.806 -2.963 1.00 0.00 N ATOM 1510 CA PHE A 103 7.286 0.635 -4.293 1.00 0.00 C ATOM 1511 C PHE A 103 8.468 1.576 -4.502 1.00 0.00 C ATOM 1512 O PHE A 103 8.346 2.790 -4.338 1.00 0.00 O ATOM 1513 CB PHE A 103 6.223 0.888 -5.365 1.00 0.00 C ATOM 1514 CG PHE A 103 6.660 0.495 -6.747 1.00 0.00 C ATOM 1515 CD1 PHE A 103 7.722 1.138 -7.361 1.00 0.00 C ATOM 1516 CD2 PHE A 103 6.008 -0.518 -7.433 1.00 0.00 C ATOM 1517 CE1 PHE A 103 8.127 0.779 -8.633 1.00 0.00 C ATOM 1518 CE2 PHE A 103 6.408 -0.881 -8.704 1.00 0.00 C ATOM 1519 CZ PHE A 103 7.469 -0.231 -9.306 1.00 0.00 C ATOM 0 H PHE A 103 5.751 1.142 -2.958 1.00 0.00 H new ATOM 0 HA PHE A 103 7.642 -0.392 -4.379 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.320 0.335 -5.107 1.00 0.00 H new ATOM 0 HB3 PHE A 103 5.961 1.946 -5.363 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.240 1.929 -6.840 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.178 -1.029 -6.968 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.957 1.288 -9.100 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.892 -1.672 -9.227 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.782 -0.513 -10.300 1.00 0.00 H new ATOM 1529 N ASP A 104 9.613 1.007 -4.864 1.00 0.00 N ATOM 1530 CA ASP A 104 10.819 1.794 -5.096 1.00 0.00 C ATOM 1531 C ASP A 104 10.983 2.111 -6.579 1.00 0.00 C ATOM 1532 O ASP A 104 11.550 1.322 -7.334 1.00 0.00 O ATOM 1533 CB ASP A 104 12.049 1.044 -4.583 1.00 0.00 C ATOM 1534 CG ASP A 104 13.202 1.975 -4.262 1.00 0.00 C ATOM 1535 OD1 ASP A 104 13.883 2.424 -5.207 1.00 0.00 O ATOM 1536 OD2 ASP A 104 13.421 2.256 -3.065 1.00 0.00 O ATOM 0 H ASP A 104 9.731 0.003 -5.003 1.00 0.00 H new ATOM 0 HA ASP A 104 10.722 2.733 -4.551 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.781 0.481 -3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.368 0.320 -5.332 1.00 0.00 H new ATOM 1541 N GLY A 105 10.482 3.272 -6.990 1.00 0.00 N ATOM 1542 CA GLY A 105 10.583 3.673 -8.381 1.00 0.00 C ATOM 1543 C GLY A 105 12.017 3.895 -8.818 1.00 0.00 C ATOM 1544 O GLY A 105 12.418 3.460 -9.898 1.00 0.00 O ATOM 0 H GLY A 105 10.008 3.942 -6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.129 2.908 -9.010 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.014 4.590 -8.534 1.00 0.00 H new ATOM 1602 N LYS A 110 13.240 -3.042 -11.928 1.00 0.00 N ATOM 1603 CA LYS A 110 11.807 -3.105 -11.668 1.00 0.00 C ATOM 1604 C LYS A 110 11.451 -4.363 -10.883 1.00 0.00 C ATOM 1605 O LYS A 110 10.399 -4.433 -10.248 1.00 0.00 O ATOM 1606 CB LYS A 110 11.027 -3.075 -12.985 1.00 0.00 C ATOM 1607 CG LYS A 110 11.374 -4.217 -13.923 1.00 0.00 C ATOM 1608 CD LYS A 110 10.212 -4.557 -14.842 1.00 0.00 C ATOM 1609 CE LYS A 110 9.143 -5.359 -14.115 1.00 0.00 C ATOM 1610 NZ LYS A 110 9.392 -6.824 -14.205 1.00 0.00 N ATOM 0 HA LYS A 110 11.533 -2.236 -11.070 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.960 -3.107 -12.766 1.00 0.00 H new ATOM 0 HB3 LYS A 110 11.220 -2.129 -13.491 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.245 -3.946 -14.521 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.648 -5.097 -13.341 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.776 -3.638 -15.234 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.577 -5.126 -15.697 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.114 -5.059 -13.067 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.166 -5.130 -14.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.642 -7.335 -13.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.395 -7.115 -15.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.313 -7.046 -13.777 1.00 0.00 H new ATOM 1624 N SER A 111 12.335 -5.354 -10.931 1.00 0.00 N ATOM 1625 CA SER A 111 12.113 -6.611 -10.225 1.00 0.00 C ATOM 1626 C SER A 111 12.585 -6.513 -8.778 1.00 0.00 C ATOM 1627 O SER A 111 12.380 -7.429 -7.982 1.00 0.00 O ATOM 1628 CB SER A 111 12.841 -7.754 -10.935 1.00 0.00 C ATOM 1629 OG SER A 111 14.247 -7.590 -10.856 1.00 0.00 O ATOM 0 H SER A 111 13.211 -5.311 -11.451 1.00 0.00 H new ATOM 0 HA SER A 111 11.042 -6.815 -10.226 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.557 -8.705 -10.485 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.534 -7.791 -11.980 1.00 0.00 H new ATOM 0 HG SER A 111 14.689 -8.334 -11.316 1.00 0.00 H new ATOM 1635 N LYS A 112 13.220 -5.394 -8.444 1.00 0.00 N ATOM 1636 CA LYS A 112 13.721 -5.173 -7.093 1.00 0.00 C ATOM 1637 C LYS A 112 13.218 -3.844 -6.537 1.00 0.00 C ATOM 1638 O LYS A 112 13.934 -3.151 -5.815 1.00 0.00 O ATOM 1639 CB LYS A 112 15.251 -5.194 -7.085 1.00 0.00 C ATOM 1640 CG LYS A 112 15.844 -6.499 -7.587 1.00 0.00 C ATOM 1641 CD LYS A 112 17.273 -6.685 -7.106 1.00 0.00 C ATOM 1642 CE LYS A 112 18.256 -5.903 -7.963 1.00 0.00 C ATOM 1643 NZ LYS A 112 19.578 -5.752 -7.294 1.00 0.00 N ATOM 0 H LYS A 112 13.400 -4.626 -9.091 1.00 0.00 H new ATOM 0 HA LYS A 112 13.349 -5.977 -6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.620 -4.375 -7.703 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.603 -5.011 -6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.232 -7.333 -7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.821 -6.514 -8.677 1.00 0.00 H new ATOM 0 HD2 LYS A 112 17.354 -6.360 -6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 112 17.531 -7.744 -7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 112 18.388 -6.411 -8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 112 17.844 -4.917 -8.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 20.220 -5.213 -7.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 19.456 -5.245 -6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 19.983 -6.692 -7.110 1.00 0.00 H new ATOM 1657 N VAL A 113 11.981 -3.496 -6.877 1.00 0.00 N ATOM 1658 CA VAL A 113 11.381 -2.252 -6.410 1.00 0.00 C ATOM 1659 C VAL A 113 10.786 -2.418 -5.016 1.00 0.00 C ATOM 1660 O VAL A 113 10.740 -1.470 -4.232 1.00 0.00 O ATOM 1661 CB VAL A 113 10.281 -1.763 -7.371 1.00 0.00 C ATOM 1662 CG1 VAL A 113 10.850 -1.539 -8.764 1.00 0.00 C ATOM 1663 CG2 VAL A 113 9.129 -2.756 -7.410 1.00 0.00 C ATOM 0 H VAL A 113 11.375 -4.058 -7.474 1.00 0.00 H new ATOM 0 HA VAL A 113 12.179 -1.510 -6.376 1.00 0.00 H new ATOM 0 HB VAL A 113 9.898 -0.811 -7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 113 10.058 -1.194 -9.429 1.00 0.00 H new ATOM 0 HG12 VAL A 113 11.639 -0.788 -8.718 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.261 -2.474 -9.144 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.361 -2.395 -8.094 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.494 -3.724 -7.753 1.00 0.00 H new ATOM 0 HG23 VAL A 113 8.705 -2.861 -6.411 1.00 0.00 H new ATOM 1673 N TRP A 114 10.331 -3.629 -4.714 1.00 0.00 N ATOM 1674 CA TRP A 114 9.739 -3.920 -3.414 1.00 0.00 C ATOM 1675 C TRP A 114 10.761 -3.741 -2.297 1.00 0.00 C ATOM 1676 O TRP A 114 11.867 -4.279 -2.361 1.00 0.00 O ATOM 1677 CB TRP A 114 9.185 -5.346 -3.391 1.00 0.00 C ATOM 1678 CG TRP A 114 7.818 -5.462 -3.993 1.00 0.00 C ATOM 1679 CD1 TRP A 114 7.144 -4.499 -4.689 1.00 0.00 C ATOM 1680 CD2 TRP A 114 6.957 -6.606 -3.952 1.00 0.00 C ATOM 1681 NE1 TRP A 114 5.916 -4.975 -5.082 1.00 0.00 N ATOM 1682 CE2 TRP A 114 5.778 -6.265 -4.643 1.00 0.00 C ATOM 1683 CE3 TRP A 114 7.068 -7.884 -3.400 1.00 0.00 C ATOM 1684 CZ2 TRP A 114 4.720 -7.157 -4.794 1.00 0.00 C ATOM 1685 CZ3 TRP A 114 6.017 -8.769 -3.551 1.00 0.00 C ATOM 1686 CH2 TRP A 114 4.856 -8.403 -4.244 1.00 0.00 C ATOM 0 H TRP A 114 10.361 -4.425 -5.352 1.00 0.00 H new ATOM 0 HA TRP A 114 8.922 -3.217 -3.249 1.00 0.00 H new ATOM 0 HB2 TRP A 114 9.868 -6.002 -3.930 1.00 0.00 H new ATOM 0 HB3 TRP A 114 9.151 -5.698 -2.360 1.00 0.00 H new ATOM 0 HD1 TRP A 114 7.521 -3.509 -4.900 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.220 -4.452 -5.614 1.00 0.00 H new ATOM 0 HE3 TRP A 114 7.959 -8.176 -2.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 3.823 -6.876 -5.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 6.092 -9.760 -3.127 1.00 0.00 H new ATOM 0 HH2 TRP A 114 4.053 -9.118 -4.346 1.00 0.00 H new ATOM 1697 N THR A 115 10.386 -2.980 -1.273 1.00 0.00 N ATOM 1698 CA THR A 115 11.270 -2.729 -0.143 1.00 0.00 C ATOM 1699 C THR A 115 10.475 -2.464 1.130 1.00 0.00 C ATOM 1700 O THR A 115 9.506 -1.704 1.123 1.00 0.00 O ATOM 1701 CB THR A 115 12.200 -1.531 -0.412 1.00 0.00 C ATOM 1702 OG1 THR A 115 12.980 -1.771 -1.589 1.00 0.00 O ATOM 1703 CG2 THR A 115 13.122 -1.284 0.772 1.00 0.00 C ATOM 0 H THR A 115 9.475 -2.527 -1.204 1.00 0.00 H new ATOM 0 HA THR A 115 11.874 -3.626 -0.010 1.00 0.00 H new ATOM 0 HB THR A 115 11.582 -0.646 -0.561 1.00 0.00 H new ATOM 0 HG1 THR A 115 13.567 -1.004 -1.754 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.769 -0.433 0.558 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.526 -1.072 1.660 1.00 0.00 H new ATOM 0 HG23 THR A 115 13.733 -2.169 0.948 1.00 0.00 H new ATOM 1711 N THR A 116 10.890 -3.096 2.224 1.00 0.00 N ATOM 1712 CA THR A 116 10.215 -2.928 3.505 1.00 0.00 C ATOM 1713 C THR A 116 10.782 -1.740 4.274 1.00 0.00 C ATOM 1714 O THR A 116 11.997 -1.552 4.337 1.00 0.00 O ATOM 1715 CB THR A 116 10.339 -4.194 4.375 1.00 0.00 C ATOM 1716 OG1 THR A 116 11.714 -4.444 4.682 1.00 0.00 O ATOM 1717 CG2 THR A 116 9.745 -5.400 3.663 1.00 0.00 C ATOM 0 H THR A 116 11.690 -3.728 2.248 1.00 0.00 H new ATOM 0 HA THR A 116 9.163 -2.747 3.286 1.00 0.00 H new ATOM 0 HB THR A 116 9.785 -4.029 5.299 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.137 -4.912 3.932 1.00 0.00 H new ATOM 0 HG21 THR A 116 9.844 -6.282 4.296 1.00 0.00 H new ATOM 0 HG22 THR A 116 8.690 -5.218 3.457 1.00 0.00 H new ATOM 0 HG23 THR A 116 10.275 -5.566 2.725 1.00 0.00 H new ATOM 1725 N ASP A 117 9.895 -0.942 4.857 1.00 0.00 N ATOM 1726 CA ASP A 117 10.307 0.228 5.624 1.00 0.00 C ATOM 1727 C ASP A 117 9.312 0.524 6.742 1.00 0.00 C ATOM 1728 O ASP A 117 8.232 -0.065 6.799 1.00 0.00 O ATOM 1729 CB ASP A 117 10.439 1.445 4.707 1.00 0.00 C ATOM 1730 CG ASP A 117 11.829 1.577 4.117 1.00 0.00 C ATOM 1731 OD1 ASP A 117 12.185 0.757 3.245 1.00 0.00 O ATOM 1732 OD2 ASP A 117 12.562 2.502 4.528 1.00 0.00 O ATOM 0 H ASP A 117 8.886 -1.084 4.813 1.00 0.00 H new ATOM 0 HA ASP A 117 11.277 0.014 6.073 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.711 1.369 3.900 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.199 2.348 5.269 1.00 0.00 H new ATOM 1737 N THR A 118 9.683 1.440 7.631 1.00 0.00 N ATOM 1738 CA THR A 118 8.825 1.812 8.749 1.00 0.00 C ATOM 1739 C THR A 118 7.515 2.418 8.258 1.00 0.00 C ATOM 1740 O THR A 118 7.489 3.144 7.264 1.00 0.00 O ATOM 1741 CB THR A 118 9.524 2.817 9.683 1.00 0.00 C ATOM 1742 OG1 THR A 118 8.640 3.195 10.745 1.00 0.00 O ATOM 1743 CG2 THR A 118 9.961 4.056 8.916 1.00 0.00 C ATOM 0 H THR A 118 10.572 1.938 7.598 1.00 0.00 H new ATOM 0 HA THR A 118 8.614 0.898 9.304 1.00 0.00 H new ATOM 0 HB THR A 118 10.409 2.336 10.100 1.00 0.00 H new ATOM 0 HG1 THR A 118 9.092 3.833 11.336 1.00 0.00 H new ATOM 0 HG21 THR A 118 10.452 4.751 9.597 1.00 0.00 H new ATOM 0 HG22 THR A 118 10.656 3.769 8.127 1.00 0.00 H new ATOM 0 HG23 THR A 118 9.088 4.537 8.474 1.00 0.00 H new ATOM 1751 N CYS A 119 6.429 2.116 8.961 1.00 0.00 N ATOM 1752 CA CYS A 119 5.114 2.631 8.598 1.00 0.00 C ATOM 1753 C CYS A 119 4.889 4.018 9.193 1.00 0.00 C ATOM 1754 O CYS A 119 3.757 4.406 9.479 1.00 0.00 O ATOM 1755 CB CYS A 119 4.019 1.675 9.076 1.00 0.00 C ATOM 1756 SG CYS A 119 4.377 -0.083 8.762 1.00 0.00 S ATOM 0 H CYS A 119 6.434 1.517 9.786 1.00 0.00 H new ATOM 0 HA CYS A 119 5.070 2.710 7.512 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.868 1.818 10.146 1.00 0.00 H new ATOM 0 HB3 CYS A 119 3.082 1.937 8.584 1.00 0.00 H new ATOM 1761 N ALA A 120 5.977 4.760 9.376 1.00 0.00 N ATOM 1762 CA ALA A 120 5.899 6.104 9.934 1.00 0.00 C ATOM 1763 C ALA A 120 6.400 7.143 8.937 1.00 0.00 C ATOM 1764 O ALA A 120 5.947 8.288 8.936 1.00 0.00 O ATOM 1765 CB ALA A 120 6.695 6.185 11.229 1.00 0.00 C ATOM 0 H ALA A 120 6.922 4.453 9.146 1.00 0.00 H new ATOM 0 HA ALA A 120 4.853 6.321 10.149 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.628 7.194 11.635 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.289 5.476 11.951 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.739 5.942 11.030 1.00 0.00 H new ATOM 1771 N THR A 121 7.339 6.737 8.088 1.00 0.00 N ATOM 1772 CA THR A 121 7.903 7.633 7.087 1.00 0.00 C ATOM 1773 C THR A 121 6.828 8.135 6.129 1.00 0.00 C ATOM 1774 O THR A 121 6.128 7.357 5.481 1.00 0.00 O ATOM 1775 CB THR A 121 9.015 6.940 6.276 1.00 0.00 C ATOM 1776 OG1 THR A 121 10.090 6.562 7.142 1.00 0.00 O ATOM 1777 CG2 THR A 121 9.537 7.858 5.181 1.00 0.00 C ATOM 0 H THR A 121 7.725 5.793 8.074 1.00 0.00 H new ATOM 0 HA THR A 121 8.329 8.480 7.625 1.00 0.00 H new ATOM 0 HB THR A 121 8.594 6.049 5.811 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.792 6.121 6.619 1.00 0.00 H new ATOM 0 HG21 THR A 121 10.321 7.348 4.622 1.00 0.00 H new ATOM 0 HG22 THR A 121 8.722 8.120 4.507 1.00 0.00 H new ATOM 0 HG23 THR A 121 9.943 8.765 5.629 1.00 0.00 H new ATOM 1785 N PRO A 122 6.693 9.466 6.036 1.00 0.00 N ATOM 1786 CA PRO A 122 5.705 10.101 5.158 1.00 0.00 C ATOM 1787 C PRO A 122 6.049 9.934 3.682 1.00 0.00 C ATOM 1788 O PRO A 122 7.034 10.490 3.198 1.00 0.00 O ATOM 1789 CB PRO A 122 5.771 11.577 5.559 1.00 0.00 C ATOM 1790 CG PRO A 122 7.141 11.757 6.116 1.00 0.00 C ATOM 1791 CD PRO A 122 7.493 10.453 6.779 1.00 0.00 C ATOM 0 HA PRO A 122 4.715 9.658 5.271 1.00 0.00 H new ATOM 0 HB2 PRO A 122 5.604 12.228 4.701 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.008 11.821 6.298 1.00 0.00 H new ATOM 0 HG2 PRO A 122 7.854 11.999 5.328 1.00 0.00 H new ATOM 0 HG3 PRO A 122 7.166 12.578 6.832 1.00 0.00 H new ATOM 0 HD2 PRO A 122 8.560 10.241 6.708 1.00 0.00 H new ATOM 0 HD3 PRO A 122 7.239 10.460 7.839 1.00 0.00 H new ATOM 1799 N ARG A 123 5.230 9.165 2.972 1.00 0.00 N ATOM 1800 CA ARG A 123 5.448 8.924 1.551 1.00 0.00 C ATOM 1801 C ARG A 123 4.125 8.923 0.790 1.00 0.00 C ATOM 1802 O ARG A 123 3.056 8.696 1.356 1.00 0.00 O ATOM 1803 CB ARG A 123 6.170 7.592 1.342 1.00 0.00 C ATOM 1804 CG ARG A 123 7.663 7.658 1.619 1.00 0.00 C ATOM 1805 CD ARG A 123 8.398 6.483 0.994 1.00 0.00 C ATOM 1806 NE ARG A 123 9.594 6.121 1.749 1.00 0.00 N ATOM 1807 CZ ARG A 123 9.578 5.330 2.816 1.00 0.00 C ATOM 1808 NH1 ARG A 123 8.434 4.820 3.250 1.00 0.00 N ATOM 1809 NH2 ARG A 123 10.709 5.047 3.450 1.00 0.00 N ATOM 0 H ARG A 123 4.409 8.698 3.358 1.00 0.00 H new ATOM 0 HA ARG A 123 6.070 9.731 1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.722 6.840 1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 123 6.014 7.261 0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 123 8.066 8.591 1.226 1.00 0.00 H new ATOM 0 HG3 ARG A 123 7.834 7.665 2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.729 5.624 0.941 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.677 6.733 -0.029 1.00 0.00 H new ATOM 0 HE ARG A 123 10.491 6.496 1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 123 7.563 5.035 2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 123 8.425 4.213 4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 123 11.591 5.437 3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 123 10.696 4.440 4.269 1.00 0.00 H new ATOM 1823 N PRO A 124 4.198 9.184 -0.524 1.00 0.00 N ATOM 1824 CA PRO A 124 3.016 9.219 -1.390 1.00 0.00 C ATOM 1825 C PRO A 124 2.408 7.835 -1.598 1.00 0.00 C ATOM 1826 O PRO A 124 3.062 6.818 -1.364 1.00 0.00 O ATOM 1827 CB PRO A 124 3.560 9.768 -2.711 1.00 0.00 C ATOM 1828 CG PRO A 124 5.006 9.408 -2.703 1.00 0.00 C ATOM 1829 CD PRO A 124 5.439 9.464 -1.265 1.00 0.00 C ATOM 0 HA PRO A 124 2.214 9.820 -0.961 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.047 9.326 -3.565 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.421 10.847 -2.779 1.00 0.00 H new ATOM 0 HG2 PRO A 124 5.163 8.413 -3.119 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.584 10.103 -3.312 1.00 0.00 H new ATOM 0 HD2 PRO A 124 6.211 8.726 -1.049 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.850 10.440 -1.007 1.00 0.00 H new ATOM 1837 N PHE A 125 1.155 7.805 -2.039 1.00 0.00 N ATOM 1838 CA PHE A 125 0.460 6.545 -2.279 1.00 0.00 C ATOM 1839 C PHE A 125 -0.460 6.654 -3.491 1.00 0.00 C ATOM 1840 O PHE A 125 -0.520 7.695 -4.146 1.00 0.00 O ATOM 1841 CB PHE A 125 -0.350 6.143 -1.045 1.00 0.00 C ATOM 1842 CG PHE A 125 -1.151 7.271 -0.459 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -0.519 8.356 0.127 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -2.536 7.247 -0.495 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -1.253 9.395 0.667 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.276 8.283 0.043 1.00 0.00 C ATOM 1847 CZ PHE A 125 -2.633 9.359 0.624 1.00 0.00 C ATOM 0 H PHE A 125 0.600 8.638 -2.237 1.00 0.00 H new ATOM 0 HA PHE A 125 1.208 5.778 -2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -1.025 5.330 -1.312 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.329 5.757 -0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.560 8.390 0.162 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -3.043 6.409 -0.949 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.748 10.234 1.122 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -4.355 8.251 0.009 1.00 0.00 H new ATOM 0 HZ PHE A 125 -3.209 10.171 1.044 1.00 0.00 H new ATOM 1857 N ILE A 126 -1.173 5.572 -3.784 1.00 0.00 N ATOM 1858 CA ILE A 126 -2.090 5.545 -4.917 1.00 0.00 C ATOM 1859 C ILE A 126 -3.395 4.845 -4.552 1.00 0.00 C ATOM 1860 O ILE A 126 -3.399 3.670 -4.184 1.00 0.00 O ATOM 1861 CB ILE A 126 -1.463 4.838 -6.132 1.00 0.00 C ATOM 1862 CG1 ILE A 126 -0.192 5.567 -6.575 1.00 0.00 C ATOM 1863 CG2 ILE A 126 -2.463 4.763 -7.276 1.00 0.00 C ATOM 1864 CD1 ILE A 126 0.424 4.997 -7.833 1.00 0.00 C ATOM 0 H ILE A 126 -1.133 4.702 -3.253 1.00 0.00 H new ATOM 0 HA ILE A 126 -2.298 6.582 -5.179 1.00 0.00 H new ATOM 0 HB ILE A 126 -1.194 3.822 -5.843 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -0.425 6.619 -6.739 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.541 5.524 -5.770 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.005 4.260 -8.128 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -3.342 4.204 -6.955 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -2.760 5.771 -7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 126 1.320 5.562 -8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 126 0.688 3.953 -7.668 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -0.292 5.065 -8.652 1.00 0.00 H new ATOM 1876 N CYS A 127 -4.501 5.573 -4.658 1.00 0.00 N ATOM 1877 CA CYS A 127 -5.813 5.022 -4.341 1.00 0.00 C ATOM 1878 C CYS A 127 -6.441 4.370 -5.570 1.00 0.00 C ATOM 1879 O CYS A 127 -6.248 4.831 -6.695 1.00 0.00 O ATOM 1880 CB CYS A 127 -6.734 6.120 -3.806 1.00 0.00 C ATOM 1881 SG CYS A 127 -6.026 7.080 -2.430 1.00 0.00 S ATOM 0 H CYS A 127 -4.515 6.547 -4.961 1.00 0.00 H new ATOM 0 HA CYS A 127 -5.683 4.259 -3.573 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -6.981 6.801 -4.621 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -7.668 5.666 -3.475 1.00 0.00 H new ATOM 1886 N GLN A 128 -7.192 3.297 -5.345 1.00 0.00 N ATOM 1887 CA GLN A 128 -7.847 2.583 -6.434 1.00 0.00 C ATOM 1888 C GLN A 128 -9.267 2.183 -6.046 1.00 0.00 C ATOM 1889 O GLN A 128 -9.557 1.938 -4.875 1.00 0.00 O ATOM 1890 CB GLN A 128 -7.041 1.339 -6.814 1.00 0.00 C ATOM 1891 CG GLN A 128 -7.732 0.456 -7.840 1.00 0.00 C ATOM 1892 CD GLN A 128 -7.084 -0.908 -7.967 1.00 0.00 C ATOM 1893 OE1 GLN A 128 -6.012 -1.047 -8.557 1.00 0.00 O ATOM 1894 NE2 GLN A 128 -7.732 -1.926 -7.412 1.00 0.00 N ATOM 0 H GLN A 128 -7.362 2.903 -4.419 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.899 3.251 -7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -6.073 1.650 -7.207 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -6.847 0.754 -5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -8.778 0.332 -7.561 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -7.717 0.953 -8.810 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -8.618 -1.766 -6.932 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -7.344 -2.868 -7.465 1.00 0.00 H new