USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 658 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 75 ASN : amide:sc= -8.03! C(o=-14!,f=-23!) USER MOD Set 1.2: A 77 THR OG1 : rot 88:sc= -5.51! USER MOD Set 2.1: A 8 CYS SG : rot 150:sc= -4.6 USER MOD Set 2.2: A 10 HIS : no HD1:sc= -5.04! C(o=-28!,f=-32!) USER MOD Set 2.3: A 71 ASN : amide:sc= -7.33! C(o=-28!,f=-34!) USER MOD Set 2.4: A 83 CYS SG : rot -159:sc= -4.72 USER MOD Set 2.5: A 86 CYS SG : rot 133:sc= -6.07! USER MOD Set 3.1: A 43 CYS SG : rot 140:sc= -1.62 USER MOD Set 3.2: A 45 GLN : amide:sc= -3.09 K(o=-11,f=-12!) USER MOD Set 3.3: A 48 CYS SG : rot -149:sc= 0.12 USER MOD Set 3.4: A 64 HIS : no HE2:sc= -2.83 K(o=-11,f=-17) USER MOD Set 3.5: A 68 LYS NZ :NH3+ -177:sc= 0.409 (180deg=-0.321) USER MOD Set 3.6: A 70 HIS : no HE2:sc= -3.87 X(o=-11,f=-11) USER MOD Set 4.1: A 30 CYS SG : rot -151:sc= -1.14! USER MOD Set 4.2: A 33 CYS SG : rot -152:sc= -0.0866 USER MOD Set 4.3: A 53 CYS SG : rot -118:sc= 1.54 USER MOD Set 4.4: A 60 HIS :FLIP no HD1:sc= -1.79 F(o=-3.8!,f=-1.5) USER MOD Set 5.1: A 31 GLN :FLIP amide:sc= -7.79! C(o=-8.8!,f=-7.9!) USER MOD Set 5.2: A 32 SER OG : rot 109:sc= -0.082 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.361 USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= -3.19! (180deg=-3.34!) USER MOD Single : A 25 LYS NZ :NH3+ -109:sc= -4.76 (180deg=-10.7!) USER MOD Single : A 26 SER OG : rot -52:sc= -1.26 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0783 USER MOD Single : A 36 THR OG1 : rot -96:sc= -0.777! USER MOD Single : A 39 ASN : amide:sc= 0.272 K(o=0.27,f=-2.4!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -140:sc= -1.18 USER MOD Single : A 61 SER OG : rot -119:sc= 0.0664 USER MOD Single : A 62 THR OG1 : rot -45:sc= -1.58! USER MOD Single : A 66 GLN : amide:sc= -0.0702 K(o=-0.07,f=-1.6!) USER MOD Single : A 69 LYS NZ :NH3+ 148:sc= -0.164 (180deg=-1.02) USER MOD Single : A 73 THR OG1 : rot 61:sc= 0.137 USER MOD Single : A 78 THR OG1 : rot -110:sc= -2.43! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -124:sc= -1.37 (180deg=-3.77!) USER MOD Single : A 94 GLN : amide:sc= -0.64 X(o=-0.64,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 72 N ASP A 6 12.511 6.847 4.518 1.00 0.00 N ATOM 73 CA ASP A 6 11.077 6.642 4.171 1.00 0.00 C ATOM 74 C ASP A 6 10.932 5.357 3.350 1.00 0.00 C ATOM 75 O ASP A 6 9.903 4.714 3.363 1.00 0.00 O ATOM 76 CB ASP A 6 10.588 7.842 3.346 1.00 0.00 C ATOM 77 CG ASP A 6 9.171 8.225 3.776 1.00 0.00 C ATOM 78 OD1 ASP A 6 8.425 7.334 4.146 1.00 0.00 O ATOM 79 OD2 ASP A 6 8.857 9.403 3.730 1.00 0.00 O ATOM 0 HA ASP A 6 10.482 6.556 5.080 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.261 8.688 3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.601 7.595 2.285 1.00 0.00 H new ATOM 84 N LEU A 7 11.954 4.987 2.632 1.00 0.00 N ATOM 85 CA LEU A 7 11.875 3.750 1.802 1.00 0.00 C ATOM 86 C LEU A 7 11.904 2.510 2.707 1.00 0.00 C ATOM 87 O LEU A 7 12.322 2.571 3.847 1.00 0.00 O ATOM 88 CB LEU A 7 13.046 3.749 0.789 1.00 0.00 C ATOM 89 CG LEU A 7 14.251 2.904 1.267 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.615 3.229 2.727 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.949 1.402 1.117 1.00 0.00 C ATOM 0 H LEU A 7 12.842 5.487 2.583 1.00 0.00 H new ATOM 0 HA LEU A 7 10.938 3.726 1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.693 3.362 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.373 4.775 0.617 1.00 0.00 H new ATOM 0 HG LEU A 7 15.106 3.157 0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.465 2.620 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 7 14.876 4.284 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.762 3.014 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.807 0.823 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.076 1.145 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.750 1.174 0.070 1.00 0.00 H new ATOM 103 N CYS A 8 11.451 1.387 2.205 1.00 0.00 N ATOM 104 CA CYS A 8 11.443 0.131 3.018 1.00 0.00 C ATOM 105 C CYS A 8 12.136 -0.978 2.216 1.00 0.00 C ATOM 106 O CYS A 8 12.258 -0.896 1.011 1.00 0.00 O ATOM 107 CB CYS A 8 9.989 -0.277 3.352 1.00 0.00 C ATOM 108 SG CYS A 8 9.640 -1.950 2.724 1.00 0.00 S ATOM 0 H CYS A 8 11.083 1.286 1.259 1.00 0.00 H new ATOM 0 HA CYS A 8 11.975 0.293 3.955 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.835 -0.247 4.431 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.294 0.437 2.910 1.00 0.00 H new ATOM 0 HG CYS A 8 8.760 -2.526 3.488 1.00 0.00 H new ATOM 113 N PRO A 9 12.594 -2.003 2.878 1.00 0.00 N ATOM 114 CA PRO A 9 13.297 -3.149 2.219 1.00 0.00 C ATOM 115 C PRO A 9 12.451 -3.753 1.096 1.00 0.00 C ATOM 116 O PRO A 9 12.868 -3.844 -0.041 1.00 0.00 O ATOM 117 CB PRO A 9 13.475 -4.167 3.360 1.00 0.00 C ATOM 118 CG PRO A 9 12.516 -3.729 4.415 1.00 0.00 C ATOM 119 CD PRO A 9 12.487 -2.212 4.322 1.00 0.00 C ATOM 0 HA PRO A 9 14.236 -2.848 1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.257 -5.181 3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.499 -4.168 3.733 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.526 -4.153 4.248 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.840 -4.057 5.403 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.566 -1.794 4.729 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.313 -1.752 4.865 1.00 0.00 H new ATOM 127 N HIS A 10 11.260 -4.161 1.423 1.00 0.00 N ATOM 128 CA HIS A 10 10.357 -4.762 0.397 1.00 0.00 C ATOM 129 C HIS A 10 9.770 -3.651 -0.472 1.00 0.00 C ATOM 130 O HIS A 10 8.996 -3.894 -1.375 1.00 0.00 O ATOM 131 CB HIS A 10 9.222 -5.532 1.096 1.00 0.00 C ATOM 132 CG HIS A 10 9.740 -6.139 2.369 1.00 0.00 C ATOM 133 ND1 HIS A 10 9.774 -5.442 3.577 1.00 0.00 N ATOM 134 CD2 HIS A 10 10.255 -7.384 2.639 1.00 0.00 C ATOM 135 CE1 HIS A 10 10.295 -6.276 4.500 1.00 0.00 C ATOM 136 NE2 HIS A 10 10.601 -7.464 3.979 1.00 0.00 N ATOM 0 H HIS A 10 10.867 -4.105 2.363 1.00 0.00 H new ATOM 0 HA HIS A 10 10.923 -5.451 -0.230 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.391 -4.860 1.312 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.838 -6.312 0.438 1.00 0.00 H new ATOM 0 HD2 HIS A 10 10.372 -8.179 1.917 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.446 -6.013 5.537 1.00 0.00 H new ATOM 0 HE2 HIS A 10 11.005 -8.265 4.465 1.00 0.00 H new ATOM 144 N LEU A 11 10.137 -2.431 -0.203 1.00 0.00 N ATOM 145 CA LEU A 11 9.607 -1.293 -1.003 1.00 0.00 C ATOM 146 C LEU A 11 10.273 -1.280 -2.380 1.00 0.00 C ATOM 147 O LEU A 11 9.710 -0.807 -3.347 1.00 0.00 O ATOM 148 CB LEU A 11 9.904 0.012 -0.261 1.00 0.00 C ATOM 149 CG LEU A 11 9.062 1.163 -0.840 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.596 2.088 0.292 1.00 0.00 C ATOM 151 CD2 LEU A 11 9.903 1.965 -1.844 1.00 0.00 C ATOM 0 H LEU A 11 10.785 -2.171 0.541 1.00 0.00 H new ATOM 0 HA LEU A 11 8.530 -1.399 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.686 -0.108 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.964 0.251 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 11 8.191 0.748 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.001 2.901 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.992 1.521 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.464 2.501 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.304 2.779 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.778 2.376 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.225 1.310 -2.654 1.00 0.00 H new ATOM 163 N ASP A 12 11.462 -1.802 -2.478 1.00 0.00 N ATOM 164 CA ASP A 12 12.159 -1.827 -3.795 1.00 0.00 C ATOM 165 C ASP A 12 11.749 -3.087 -4.561 1.00 0.00 C ATOM 166 O ASP A 12 11.863 -3.156 -5.769 1.00 0.00 O ATOM 167 CB ASP A 12 13.672 -1.843 -3.566 1.00 0.00 C ATOM 168 CG ASP A 12 14.393 -1.693 -4.906 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.619 -0.565 -5.312 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.709 -2.709 -5.503 1.00 0.00 O ATOM 0 H ASP A 12 11.983 -2.213 -1.703 1.00 0.00 H new ATOM 0 HA ASP A 12 11.885 -0.943 -4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.957 -1.033 -2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.968 -2.775 -3.084 1.00 0.00 H new ATOM 175 N SER A 13 11.278 -4.088 -3.865 1.00 0.00 N ATOM 176 CA SER A 13 10.868 -5.347 -4.551 1.00 0.00 C ATOM 177 C SER A 13 9.457 -5.196 -5.131 1.00 0.00 C ATOM 178 O SER A 13 9.085 -5.885 -6.061 1.00 0.00 O ATOM 179 CB SER A 13 10.882 -6.498 -3.543 1.00 0.00 C ATOM 180 OG SER A 13 10.883 -7.735 -4.244 1.00 0.00 O ATOM 0 H SER A 13 11.160 -4.088 -2.852 1.00 0.00 H new ATOM 0 HA SER A 13 11.565 -5.556 -5.362 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.763 -6.427 -2.905 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.011 -6.437 -2.891 1.00 0.00 H new ATOM 0 HG SER A 13 10.894 -8.475 -3.602 1.00 0.00 H new ATOM 186 N ILE A 14 8.667 -4.310 -4.589 1.00 0.00 N ATOM 187 CA ILE A 14 7.280 -4.132 -5.113 1.00 0.00 C ATOM 188 C ILE A 14 7.306 -3.287 -6.391 1.00 0.00 C ATOM 189 O ILE A 14 6.288 -2.794 -6.836 1.00 0.00 O ATOM 190 CB ILE A 14 6.415 -3.435 -4.059 1.00 0.00 C ATOM 191 CG1 ILE A 14 7.156 -2.229 -3.471 1.00 0.00 C ATOM 192 CG2 ILE A 14 6.092 -4.419 -2.931 1.00 0.00 C ATOM 193 CD1 ILE A 14 7.326 -1.134 -4.530 1.00 0.00 C ATOM 0 H ILE A 14 8.919 -3.703 -3.809 1.00 0.00 H new ATOM 0 HA ILE A 14 6.859 -5.112 -5.340 1.00 0.00 H new ATOM 0 HB ILE A 14 5.495 -3.093 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.603 -1.835 -2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.133 -2.540 -3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.476 -3.923 -2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.551 -5.273 -3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.019 -4.762 -2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.854 -0.286 -4.095 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.899 -1.526 -5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.346 -0.810 -4.879 1.00 0.00 H new ATOM 205 N GLY A 15 8.459 -3.119 -6.985 1.00 0.00 N ATOM 206 CA GLY A 15 8.559 -2.310 -8.240 1.00 0.00 C ATOM 207 C GLY A 15 7.623 -1.098 -8.170 1.00 0.00 C ATOM 208 O GLY A 15 7.513 -0.444 -7.152 1.00 0.00 O ATOM 0 H GLY A 15 9.341 -3.509 -6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.587 -1.976 -8.384 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.301 -2.928 -9.100 1.00 0.00 H new ATOM 212 N GLU A 16 6.951 -0.791 -9.251 1.00 0.00 N ATOM 213 CA GLU A 16 6.021 0.379 -9.254 1.00 0.00 C ATOM 214 C GLU A 16 4.757 0.022 -10.040 1.00 0.00 C ATOM 215 O GLU A 16 4.738 0.056 -11.254 1.00 0.00 O ATOM 216 CB GLU A 16 6.714 1.580 -9.915 1.00 0.00 C ATOM 217 CG GLU A 16 5.703 2.710 -10.164 1.00 0.00 C ATOM 218 CD GLU A 16 4.833 2.916 -8.921 1.00 0.00 C ATOM 219 OE1 GLU A 16 5.265 3.632 -8.032 1.00 0.00 O ATOM 220 OE2 GLU A 16 3.752 2.353 -8.879 1.00 0.00 O ATOM 0 H GLU A 16 7.006 -1.301 -10.133 1.00 0.00 H new ATOM 0 HA GLU A 16 5.752 0.634 -8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.521 1.939 -9.276 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.166 1.273 -10.858 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.229 3.633 -10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.075 2.466 -11.021 1.00 0.00 H new ATOM 227 N VAL A 17 3.697 -0.318 -9.356 1.00 0.00 N ATOM 228 CA VAL A 17 2.436 -0.672 -10.066 1.00 0.00 C ATOM 229 C VAL A 17 1.935 0.560 -10.827 1.00 0.00 C ATOM 230 O VAL A 17 2.542 1.612 -10.782 1.00 0.00 O ATOM 231 CB VAL A 17 1.389 -1.126 -9.039 1.00 0.00 C ATOM 232 CG1 VAL A 17 0.901 0.080 -8.234 1.00 0.00 C ATOM 233 CG2 VAL A 17 0.197 -1.780 -9.752 1.00 0.00 C ATOM 0 H VAL A 17 3.651 -0.366 -8.338 1.00 0.00 H new ATOM 0 HA VAL A 17 2.613 -1.483 -10.772 1.00 0.00 H new ATOM 0 HB VAL A 17 1.846 -1.853 -8.368 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.158 -0.245 -7.506 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.744 0.535 -7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.453 0.810 -8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.539 -2.098 -9.013 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.259 -1.061 -10.433 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.542 -2.646 -10.317 1.00 0.00 H new ATOM 243 N THR A 18 0.841 0.446 -11.529 1.00 0.00 N ATOM 244 CA THR A 18 0.329 1.621 -12.288 1.00 0.00 C ATOM 245 C THR A 18 -0.086 2.718 -11.309 1.00 0.00 C ATOM 246 O THR A 18 -0.819 2.488 -10.371 1.00 0.00 O ATOM 247 CB THR A 18 -0.884 1.189 -13.131 1.00 0.00 C ATOM 248 OG1 THR A 18 -1.225 -0.153 -12.808 1.00 0.00 O ATOM 249 CG2 THR A 18 -0.541 1.277 -14.621 1.00 0.00 C ATOM 0 H THR A 18 0.283 -0.404 -11.610 1.00 0.00 H new ATOM 0 HA THR A 18 1.110 2.004 -12.945 1.00 0.00 H new ATOM 0 HB THR A 18 -1.725 1.848 -12.915 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.998 -0.432 -13.342 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.404 0.970 -15.212 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.275 2.304 -14.873 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.301 0.620 -14.840 1.00 0.00 H new ATOM 257 N LYS A 19 0.359 3.920 -11.541 1.00 0.00 N ATOM 258 CA LYS A 19 -0.031 5.043 -10.647 1.00 0.00 C ATOM 259 C LYS A 19 -1.552 5.068 -10.584 1.00 0.00 C ATOM 260 O LYS A 19 -2.149 4.892 -9.542 1.00 0.00 O ATOM 261 CB LYS A 19 0.479 6.359 -11.238 1.00 0.00 C ATOM 262 CG LYS A 19 0.495 6.262 -12.777 1.00 0.00 C ATOM 263 CD LYS A 19 1.937 6.341 -13.296 1.00 0.00 C ATOM 264 CE LYS A 19 2.690 5.055 -12.926 1.00 0.00 C ATOM 265 NZ LYS A 19 2.224 3.940 -13.799 1.00 0.00 N ATOM 0 H LYS A 19 0.977 4.173 -12.312 1.00 0.00 H new ATOM 0 HA LYS A 19 0.394 4.915 -9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.160 7.183 -10.922 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.481 6.572 -10.866 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.037 5.325 -13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.099 7.069 -13.206 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.938 6.476 -14.378 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.442 7.206 -12.866 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.763 5.202 -13.046 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.517 4.808 -11.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.696 3.057 -13.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.195 3.829 -13.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.456 4.154 -14.790 1.00 0.00 H new ATOM 279 N GLU A 20 -2.178 5.255 -11.714 1.00 0.00 N ATOM 280 CA GLU A 20 -3.658 5.257 -11.766 1.00 0.00 C ATOM 281 C GLU A 20 -4.158 4.124 -10.878 1.00 0.00 C ATOM 282 O GLU A 20 -5.125 4.258 -10.162 1.00 0.00 O ATOM 283 CB GLU A 20 -4.098 5.043 -13.214 1.00 0.00 C ATOM 284 CG GLU A 20 -5.547 4.522 -13.289 1.00 0.00 C ATOM 285 CD GLU A 20 -5.570 3.152 -13.973 1.00 0.00 C ATOM 286 OE1 GLU A 20 -6.398 2.963 -14.849 1.00 0.00 O ATOM 287 OE2 GLU A 20 -4.760 2.315 -13.609 1.00 0.00 O ATOM 0 H GLU A 20 -1.717 5.408 -12.611 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.068 6.203 -11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.018 5.981 -13.763 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.428 4.332 -13.698 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.968 4.445 -12.287 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.168 5.226 -13.843 1.00 0.00 H new ATOM 294 N ASP A 21 -3.481 3.013 -10.899 1.00 0.00 N ATOM 295 CA ASP A 21 -3.909 1.883 -10.030 1.00 0.00 C ATOM 296 C ASP A 21 -4.133 2.431 -8.622 1.00 0.00 C ATOM 297 O ASP A 21 -5.107 2.121 -7.970 1.00 0.00 O ATOM 298 CB ASP A 21 -2.827 0.794 -10.008 1.00 0.00 C ATOM 299 CG ASP A 21 -3.463 -0.556 -9.667 1.00 0.00 C ATOM 300 OD1 ASP A 21 -2.892 -1.271 -8.859 1.00 0.00 O ATOM 301 OD2 ASP A 21 -4.511 -0.851 -10.216 1.00 0.00 O ATOM 0 H ASP A 21 -2.657 2.838 -11.474 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.828 1.439 -10.413 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.332 0.740 -10.978 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.062 1.043 -9.273 1.00 0.00 H new ATOM 306 N LEU A 22 -3.252 3.277 -8.167 1.00 0.00 N ATOM 307 CA LEU A 22 -3.427 3.876 -6.816 1.00 0.00 C ATOM 308 C LEU A 22 -4.581 4.864 -6.877 1.00 0.00 C ATOM 309 O LEU A 22 -5.227 5.157 -5.891 1.00 0.00 O ATOM 310 CB LEU A 22 -2.153 4.620 -6.403 1.00 0.00 C ATOM 311 CG LEU A 22 -1.074 3.621 -5.983 1.00 0.00 C ATOM 312 CD1 LEU A 22 -0.765 2.679 -7.149 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.194 4.387 -5.591 1.00 0.00 C ATOM 0 H LEU A 22 -2.419 3.579 -8.672 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.631 3.090 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.793 5.229 -7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.370 5.300 -5.579 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.426 3.036 -5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.004 1.968 -6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.669 2.139 -7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.410 3.259 -8.001 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.968 3.680 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.545 4.969 -6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.028 5.057 -4.760 1.00 0.00 H new ATOM 325 N LEU A 23 -4.838 5.375 -8.040 1.00 0.00 N ATOM 326 CA LEU A 23 -5.941 6.346 -8.208 1.00 0.00 C ATOM 327 C LEU A 23 -7.272 5.592 -8.205 1.00 0.00 C ATOM 328 O LEU A 23 -8.123 5.845 -7.376 1.00 0.00 O ATOM 329 CB LEU A 23 -5.720 7.089 -9.530 1.00 0.00 C ATOM 330 CG LEU A 23 -4.297 7.679 -9.544 1.00 0.00 C ATOM 331 CD1 LEU A 23 -4.137 8.614 -10.752 1.00 0.00 C ATOM 332 CD2 LEU A 23 -4.046 8.474 -8.255 1.00 0.00 C ATOM 0 H LEU A 23 -4.323 5.158 -8.893 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.963 7.070 -7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.853 6.408 -10.371 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.458 7.883 -9.643 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.577 6.863 -9.612 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.129 9.030 -10.759 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.305 8.053 -11.671 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.863 9.424 -10.684 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.038 8.888 -8.273 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.770 9.286 -8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.152 7.814 -7.394 1.00 0.00 H new ATOM 344 N LEU A 24 -7.465 4.650 -9.090 1.00 0.00 N ATOM 345 CA LEU A 24 -8.747 3.901 -9.052 1.00 0.00 C ATOM 346 C LEU A 24 -8.851 3.225 -7.700 1.00 0.00 C ATOM 347 O LEU A 24 -9.877 3.266 -7.074 1.00 0.00 O ATOM 348 CB LEU A 24 -8.827 2.849 -10.161 1.00 0.00 C ATOM 349 CG LEU A 24 -7.695 1.816 -10.030 1.00 0.00 C ATOM 350 CD1 LEU A 24 -8.221 0.546 -9.347 1.00 0.00 C ATOM 351 CD2 LEU A 24 -7.183 1.450 -11.428 1.00 0.00 C ATOM 0 H LEU A 24 -6.807 4.374 -9.819 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.570 4.598 -9.210 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.791 2.343 -10.117 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.767 3.337 -11.134 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.889 2.243 -9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.413 -0.180 -9.258 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.596 0.795 -8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.028 0.120 -9.943 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.380 0.718 -11.341 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.998 1.027 -12.015 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.806 2.345 -11.923 1.00 0.00 H new ATOM 363 N LYS A 25 -7.789 2.624 -7.222 1.00 0.00 N ATOM 364 CA LYS A 25 -7.867 1.980 -5.884 1.00 0.00 C ATOM 365 C LYS A 25 -8.481 3.002 -4.928 1.00 0.00 C ATOM 366 O LYS A 25 -9.385 2.706 -4.172 1.00 0.00 O ATOM 367 CB LYS A 25 -6.462 1.584 -5.422 1.00 0.00 C ATOM 368 CG LYS A 25 -6.042 0.290 -6.129 1.00 0.00 C ATOM 369 CD LYS A 25 -4.534 0.080 -5.971 1.00 0.00 C ATOM 370 CE LYS A 25 -4.184 -1.378 -6.272 1.00 0.00 C ATOM 371 NZ LYS A 25 -4.947 -1.834 -7.468 1.00 0.00 N ATOM 0 H LYS A 25 -6.888 2.554 -7.695 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.476 1.076 -5.913 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.754 2.382 -5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.448 1.442 -4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.583 -0.558 -5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.303 0.341 -7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.992 0.741 -6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.225 0.337 -4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.113 -1.477 -6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.423 -2.006 -5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.683 -2.508 -7.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.392 -1.015 -7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.300 -2.298 -8.137 1.00 0.00 H new ATOM 385 N SER A 26 -8.012 4.218 -4.995 1.00 0.00 N ATOM 386 CA SER A 26 -8.571 5.294 -4.142 1.00 0.00 C ATOM 387 C SER A 26 -10.012 5.569 -4.590 1.00 0.00 C ATOM 388 O SER A 26 -10.612 6.555 -4.211 1.00 0.00 O ATOM 389 CB SER A 26 -7.735 6.566 -4.329 1.00 0.00 C ATOM 390 OG SER A 26 -7.902 7.414 -3.200 1.00 0.00 O ATOM 0 H SER A 26 -7.256 4.511 -5.614 1.00 0.00 H new ATOM 0 HA SER A 26 -8.553 4.994 -3.094 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.683 6.308 -4.451 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.043 7.086 -5.236 1.00 0.00 H new ATOM 0 HG SER A 26 -8.858 7.550 -3.032 1.00 0.00 H new ATOM 396 N LYS A 27 -10.558 4.721 -5.426 1.00 0.00 N ATOM 397 CA LYS A 27 -11.941 4.959 -5.928 1.00 0.00 C ATOM 398 C LYS A 27 -12.871 5.299 -4.763 1.00 0.00 C ATOM 399 O LYS A 27 -13.589 6.278 -4.815 1.00 0.00 O ATOM 400 CB LYS A 27 -12.467 3.729 -6.689 1.00 0.00 C ATOM 401 CG LYS A 27 -11.996 2.423 -6.027 1.00 0.00 C ATOM 402 CD LYS A 27 -13.110 1.377 -6.099 1.00 0.00 C ATOM 403 CE LYS A 27 -13.364 1.018 -7.564 1.00 0.00 C ATOM 404 NZ LYS A 27 -14.424 -0.027 -7.646 1.00 0.00 N ATOM 0 H LYS A 27 -10.106 3.878 -5.780 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.916 5.801 -6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.556 3.754 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.121 3.762 -7.722 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.102 2.052 -6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.725 2.608 -4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.827 0.487 -5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.021 1.765 -5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.670 1.905 -8.119 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.445 0.655 -8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.596 -0.270 -8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.115 -0.876 -7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.302 0.335 -7.222 1.00 0.00 H new ATOM 418 N GLY A 28 -12.866 4.530 -3.702 1.00 0.00 N ATOM 419 CA GLY A 28 -13.753 4.871 -2.559 1.00 0.00 C ATOM 420 C GLY A 28 -14.333 3.612 -1.931 1.00 0.00 C ATOM 421 O GLY A 28 -15.228 3.688 -1.120 1.00 0.00 O ATOM 0 H GLY A 28 -12.294 3.694 -3.583 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.191 5.430 -1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.561 5.518 -2.900 1.00 0.00 H new ATOM 425 N THR A 29 -13.860 2.455 -2.294 1.00 0.00 N ATOM 426 CA THR A 29 -14.436 1.231 -1.678 1.00 0.00 C ATOM 427 C THR A 29 -13.484 0.034 -1.815 1.00 0.00 C ATOM 428 O THR A 29 -12.755 -0.095 -2.779 1.00 0.00 O ATOM 429 CB THR A 29 -15.760 0.919 -2.379 1.00 0.00 C ATOM 430 OG1 THR A 29 -15.899 1.762 -3.514 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.936 1.153 -1.425 1.00 0.00 C ATOM 0 H THR A 29 -13.116 2.304 -2.975 1.00 0.00 H new ATOM 0 HA THR A 29 -14.593 1.408 -0.614 1.00 0.00 H new ATOM 0 HB THR A 29 -15.760 -0.126 -2.689 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.745 1.564 -3.967 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.871 0.927 -1.938 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.833 0.505 -0.555 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.941 2.194 -1.103 1.00 0.00 H new ATOM 439 N CYS A 30 -13.528 -0.866 -0.865 1.00 0.00 N ATOM 440 CA CYS A 30 -12.678 -2.094 -0.934 1.00 0.00 C ATOM 441 C CYS A 30 -13.104 -2.875 -2.176 1.00 0.00 C ATOM 442 O CYS A 30 -14.270 -2.917 -2.511 1.00 0.00 O ATOM 443 CB CYS A 30 -12.915 -2.958 0.316 1.00 0.00 C ATOM 444 SG CYS A 30 -11.868 -4.441 0.245 1.00 0.00 S ATOM 0 H CYS A 30 -14.121 -0.802 -0.038 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.622 -1.829 -0.982 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.688 -2.384 1.215 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.965 -3.245 0.377 1.00 0.00 H new ATOM 0 HG CYS A 30 -12.451 -5.415 0.879 1.00 0.00 H new ATOM 449 N GLN A 31 -12.189 -3.486 -2.876 1.00 0.00 N ATOM 450 CA GLN A 31 -12.602 -4.235 -4.095 1.00 0.00 C ATOM 451 C GLN A 31 -13.177 -5.596 -3.706 1.00 0.00 C ATOM 452 O GLN A 31 -13.806 -6.261 -4.506 1.00 0.00 O ATOM 453 CB GLN A 31 -11.410 -4.429 -5.033 1.00 0.00 C ATOM 454 CG GLN A 31 -10.250 -5.114 -4.301 1.00 0.00 C ATOM 455 CD GLN A 31 -10.506 -6.620 -4.215 1.00 0.00 C ATOM 456 OE1 GLN A 31 -9.733 -7.358 -3.467 1.00 0.00 O flip ATOM 457 NE2 GLN A 31 -11.416 -7.131 -4.837 1.00 0.00 N flip ATOM 0 H GLN A 31 -11.192 -3.500 -2.663 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.367 -3.656 -4.612 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.710 -5.030 -5.891 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.083 -3.463 -5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.314 -4.925 -4.827 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.143 -4.697 -3.300 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.021 -6.554 -5.422 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.575 -8.137 -4.774 1.00 0.00 H new ATOM 466 N SER A 32 -12.974 -6.018 -2.487 1.00 0.00 N ATOM 467 CA SER A 32 -13.516 -7.339 -2.052 1.00 0.00 C ATOM 468 C SER A 32 -14.595 -7.134 -0.984 1.00 0.00 C ATOM 469 O SER A 32 -15.323 -8.047 -0.650 1.00 0.00 O ATOM 470 CB SER A 32 -12.384 -8.189 -1.476 1.00 0.00 C ATOM 471 OG SER A 32 -11.540 -8.622 -2.533 1.00 0.00 O ATOM 0 H SER A 32 -12.456 -5.506 -1.773 1.00 0.00 H new ATOM 0 HA SER A 32 -13.954 -7.847 -2.911 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.811 -7.610 -0.751 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.793 -9.049 -0.946 1.00 0.00 H new ATOM 0 HG SER A 32 -10.686 -8.144 -2.486 1.00 0.00 H new ATOM 477 N CYS A 33 -14.704 -5.946 -0.442 1.00 0.00 N ATOM 478 CA CYS A 33 -15.738 -5.698 0.609 1.00 0.00 C ATOM 479 C CYS A 33 -16.599 -4.490 0.235 1.00 0.00 C ATOM 480 O CYS A 33 -17.699 -4.334 0.725 1.00 0.00 O ATOM 481 CB CYS A 33 -15.057 -5.428 1.954 1.00 0.00 C ATOM 482 SG CYS A 33 -13.912 -6.770 2.331 1.00 0.00 S ATOM 0 H CYS A 33 -14.125 -5.141 -0.681 1.00 0.00 H new ATOM 0 HA CYS A 33 -16.371 -6.582 0.685 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.522 -4.479 1.918 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -15.806 -5.343 2.742 1.00 0.00 H new ATOM 0 HG CYS A 33 -13.792 -6.889 3.620 1.00 0.00 H new ATOM 487 N GLY A 34 -16.116 -3.620 -0.615 1.00 0.00 N ATOM 488 CA GLY A 34 -16.937 -2.429 -0.976 1.00 0.00 C ATOM 489 C GLY A 34 -17.375 -1.734 0.315 1.00 0.00 C ATOM 490 O GLY A 34 -18.537 -1.730 0.671 1.00 0.00 O ATOM 0 H GLY A 34 -15.204 -3.681 -1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.360 -1.745 -1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.808 -2.731 -1.558 1.00 0.00 H new ATOM 494 N VAL A 35 -16.436 -1.184 1.037 1.00 0.00 N ATOM 495 CA VAL A 35 -16.762 -0.523 2.337 1.00 0.00 C ATOM 496 C VAL A 35 -16.780 1.007 2.210 1.00 0.00 C ATOM 497 O VAL A 35 -17.703 1.646 2.668 1.00 0.00 O ATOM 498 CB VAL A 35 -15.708 -0.936 3.368 1.00 0.00 C ATOM 499 CG1 VAL A 35 -15.663 -2.467 3.453 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.338 -0.403 2.936 1.00 0.00 C ATOM 0 H VAL A 35 -15.449 -1.163 0.781 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.758 -0.840 2.648 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.963 -0.523 4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.914 -2.769 4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.640 -2.843 3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.403 -2.878 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.586 -0.696 3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.077 -0.818 1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.375 0.684 2.869 1.00 0.00 H new ATOM 510 N THR A 36 -15.774 1.606 1.617 1.00 0.00 N ATOM 511 CA THR A 36 -15.759 3.096 1.504 1.00 0.00 C ATOM 512 C THR A 36 -14.338 3.551 1.164 1.00 0.00 C ATOM 513 O THR A 36 -13.454 2.747 0.963 1.00 0.00 O ATOM 514 CB THR A 36 -16.191 3.742 2.838 1.00 0.00 C ATOM 515 OG1 THR A 36 -16.112 2.779 3.879 1.00 0.00 O ATOM 516 CG2 THR A 36 -17.631 4.273 2.739 1.00 0.00 C ATOM 0 H THR A 36 -14.969 1.130 1.210 1.00 0.00 H new ATOM 0 HA THR A 36 -16.455 3.402 0.723 1.00 0.00 H new ATOM 0 HB THR A 36 -15.524 4.576 3.055 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.995 2.380 4.023 1.00 0.00 H new ATOM 0 HG21 THR A 36 -17.918 4.725 3.688 1.00 0.00 H new ATOM 0 HG22 THR A 36 -17.689 5.021 1.949 1.00 0.00 H new ATOM 0 HG23 THR A 36 -18.307 3.450 2.510 1.00 0.00 H new ATOM 524 N GLY A 37 -14.122 4.837 1.090 1.00 0.00 N ATOM 525 CA GLY A 37 -12.768 5.364 0.751 1.00 0.00 C ATOM 526 C GLY A 37 -11.947 5.599 2.017 1.00 0.00 C ATOM 527 O GLY A 37 -10.916 4.991 2.216 1.00 0.00 O ATOM 0 H GLY A 37 -14.832 5.551 1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.250 4.658 0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.864 6.297 0.196 1.00 0.00 H new ATOM 531 N PRO A 38 -12.378 6.489 2.865 1.00 0.00 N ATOM 532 CA PRO A 38 -11.641 6.795 4.108 1.00 0.00 C ATOM 533 C PRO A 38 -11.197 5.531 4.839 1.00 0.00 C ATOM 534 O PRO A 38 -11.974 4.633 5.098 1.00 0.00 O ATOM 535 CB PRO A 38 -12.617 7.604 4.968 1.00 0.00 C ATOM 536 CG PRO A 38 -13.894 7.724 4.182 1.00 0.00 C ATOM 537 CD PRO A 38 -13.594 7.298 2.741 1.00 0.00 C ATOM 0 HA PRO A 38 -10.725 7.345 3.892 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.795 7.107 5.921 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.208 8.589 5.194 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.670 7.092 4.614 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.265 8.749 4.209 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -14.416 6.723 2.314 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.437 8.160 2.093 1.00 0.00 H new ATOM 545 N ASN A 39 -9.949 5.474 5.172 1.00 0.00 N ATOM 546 CA ASN A 39 -9.404 4.292 5.895 1.00 0.00 C ATOM 547 C ASN A 39 -9.237 3.109 4.937 1.00 0.00 C ATOM 548 O ASN A 39 -9.229 1.969 5.355 1.00 0.00 O ATOM 549 CB ASN A 39 -10.350 3.895 7.039 1.00 0.00 C ATOM 550 CG ASN A 39 -9.534 3.518 8.278 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.802 2.548 8.266 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.630 4.249 9.355 1.00 0.00 N ATOM 0 H ASN A 39 -9.267 6.206 4.973 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.429 4.557 6.305 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.021 4.722 7.272 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.973 3.055 6.733 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.091 4.006 10.186 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.244 5.063 9.366 1.00 0.00 H new ATOM 559 N LEU A 40 -9.085 3.356 3.664 1.00 0.00 N ATOM 560 CA LEU A 40 -8.901 2.214 2.722 1.00 0.00 C ATOM 561 C LEU A 40 -7.432 1.783 2.763 1.00 0.00 C ATOM 562 O LEU A 40 -6.591 2.453 3.328 1.00 0.00 O ATOM 563 CB LEU A 40 -9.265 2.622 1.283 1.00 0.00 C ATOM 564 CG LEU A 40 -10.758 2.393 0.978 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.980 2.582 -0.525 1.00 0.00 C ATOM 566 CD2 LEU A 40 -11.185 0.968 1.363 1.00 0.00 C ATOM 0 H LEU A 40 -9.080 4.284 3.240 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.555 1.396 3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.021 3.674 1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.659 2.050 0.580 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.350 3.103 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.032 2.424 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.693 3.594 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.373 1.863 -1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.243 0.832 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.597 0.246 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.018 0.814 2.429 1.00 0.00 H new ATOM 578 N TRP A 41 -7.126 0.668 2.170 1.00 0.00 N ATOM 579 CA TRP A 41 -5.714 0.172 2.163 1.00 0.00 C ATOM 580 C TRP A 41 -5.538 -0.781 0.986 1.00 0.00 C ATOM 581 O TRP A 41 -5.914 -1.935 1.048 1.00 0.00 O ATOM 582 CB TRP A 41 -5.406 -0.581 3.462 1.00 0.00 C ATOM 583 CG TRP A 41 -5.668 0.300 4.641 1.00 0.00 C ATOM 584 CD1 TRP A 41 -6.890 0.588 5.129 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.713 1.001 5.493 1.00 0.00 C ATOM 586 NE1 TRP A 41 -6.754 1.429 6.218 1.00 0.00 N ATOM 587 CE2 TRP A 41 -5.431 1.710 6.484 1.00 0.00 C ATOM 588 CE3 TRP A 41 -3.309 1.093 5.501 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -4.784 2.481 7.449 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -2.654 1.869 6.472 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.390 2.562 7.443 1.00 0.00 C ATOM 0 H TRP A 41 -7.794 0.070 1.684 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.036 1.021 2.076 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.021 -1.479 3.525 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.366 -0.906 3.465 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.826 0.221 4.733 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.537 1.797 6.759 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.732 0.564 4.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.357 3.011 8.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.576 1.932 6.470 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.880 3.158 8.185 1.00 0.00 H new ATOM 602 N ALA A 42 -4.990 -0.306 -0.096 1.00 0.00 N ATOM 603 CA ALA A 42 -4.815 -1.183 -1.283 1.00 0.00 C ATOM 604 C ALA A 42 -3.419 -1.796 -1.309 1.00 0.00 C ATOM 605 O ALA A 42 -2.436 -1.158 -0.991 1.00 0.00 O ATOM 606 CB ALA A 42 -5.021 -0.355 -2.550 1.00 0.00 C ATOM 0 H ALA A 42 -4.656 0.651 -0.209 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.547 -1.989 -1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.894 -0.992 -3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.026 0.066 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.290 0.453 -2.580 1.00 0.00 H new ATOM 612 N CYS A 43 -3.333 -3.033 -1.715 1.00 0.00 N ATOM 613 CA CYS A 43 -2.010 -3.702 -1.800 1.00 0.00 C ATOM 614 C CYS A 43 -1.127 -2.900 -2.751 1.00 0.00 C ATOM 615 O CYS A 43 -1.617 -2.231 -3.641 1.00 0.00 O ATOM 616 CB CYS A 43 -2.195 -5.122 -2.335 1.00 0.00 C ATOM 617 SG CYS A 43 -0.854 -6.171 -1.726 1.00 0.00 S ATOM 0 H CYS A 43 -4.128 -3.609 -1.992 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.545 -3.753 -0.816 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.158 -5.521 -2.015 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.200 -5.114 -3.425 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.328 -7.337 -1.403 1.00 0.00 H new ATOM 622 N LEU A 44 0.165 -2.936 -2.570 1.00 0.00 N ATOM 623 CA LEU A 44 1.053 -2.144 -3.466 1.00 0.00 C ATOM 624 C LEU A 44 2.212 -3.003 -3.988 1.00 0.00 C ATOM 625 O LEU A 44 3.329 -2.541 -4.090 1.00 0.00 O ATOM 626 CB LEU A 44 1.608 -0.952 -2.684 1.00 0.00 C ATOM 627 CG LEU A 44 2.341 0.008 -3.643 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.430 1.189 -3.983 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.618 0.539 -2.984 1.00 0.00 C ATOM 0 H LEU A 44 0.641 -3.475 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 44 0.474 -1.798 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.797 -0.427 -2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.292 -1.300 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 44 2.601 -0.535 -4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.950 1.866 -4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.522 0.822 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.168 1.721 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.127 1.216 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.360 1.075 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.276 -0.295 -2.742 1.00 0.00 H new ATOM 641 N GLN A 45 1.967 -4.242 -4.337 1.00 0.00 N ATOM 642 CA GLN A 45 3.081 -5.084 -4.869 1.00 0.00 C ATOM 643 C GLN A 45 3.108 -4.969 -6.396 1.00 0.00 C ATOM 644 O GLN A 45 2.082 -4.935 -7.044 1.00 0.00 O ATOM 645 CB GLN A 45 2.895 -6.553 -4.459 1.00 0.00 C ATOM 646 CG GLN A 45 1.987 -6.644 -3.237 1.00 0.00 C ATOM 647 CD GLN A 45 2.773 -6.241 -1.988 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.669 -5.123 -1.523 1.00 0.00 O ATOM 649 NE2 GLN A 45 3.561 -7.112 -1.420 1.00 0.00 N ATOM 0 H GLN A 45 1.058 -4.701 -4.278 1.00 0.00 H new ATOM 0 HA GLN A 45 4.025 -4.731 -4.453 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.463 -7.118 -5.285 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.863 -7.002 -4.237 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.123 -5.991 -3.363 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.606 -7.659 -3.128 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.649 -8.051 -1.810 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.089 -6.854 -0.586 1.00 0.00 H new ATOM 658 N VAL A 46 4.279 -4.893 -6.968 1.00 0.00 N ATOM 659 CA VAL A 46 4.389 -4.762 -8.455 1.00 0.00 C ATOM 660 C VAL A 46 3.438 -5.735 -9.164 1.00 0.00 C ATOM 661 O VAL A 46 3.256 -5.655 -10.362 1.00 0.00 O ATOM 662 CB VAL A 46 5.828 -5.066 -8.889 1.00 0.00 C ATOM 663 CG1 VAL A 46 6.293 -6.378 -8.252 1.00 0.00 C ATOM 664 CG2 VAL A 46 5.892 -5.191 -10.415 1.00 0.00 C ATOM 0 H VAL A 46 5.169 -4.916 -6.470 1.00 0.00 H new ATOM 0 HA VAL A 46 4.118 -3.743 -8.730 1.00 0.00 H new ATOM 0 HB VAL A 46 6.478 -4.254 -8.564 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.316 -6.591 -8.563 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.255 -6.289 -7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.640 -7.190 -8.573 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.916 -5.407 -10.720 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.238 -6.000 -10.742 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.568 -4.255 -10.871 1.00 0.00 H new ATOM 674 N ALA A 47 2.839 -6.658 -8.456 1.00 0.00 N ATOM 675 CA ALA A 47 1.923 -7.623 -9.137 1.00 0.00 C ATOM 676 C ALA A 47 0.685 -7.898 -8.277 1.00 0.00 C ATOM 677 O ALA A 47 0.242 -9.024 -8.168 1.00 0.00 O ATOM 678 CB ALA A 47 2.668 -8.936 -9.381 1.00 0.00 C ATOM 0 H ALA A 47 2.942 -6.785 -7.449 1.00 0.00 H new ATOM 0 HA ALA A 47 1.600 -7.190 -10.084 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.004 -9.644 -9.878 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.537 -8.749 -10.012 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.994 -9.352 -8.428 1.00 0.00 H new ATOM 684 N CYS A 48 0.113 -6.891 -7.672 1.00 0.00 N ATOM 685 CA CYS A 48 -1.100 -7.129 -6.838 1.00 0.00 C ATOM 686 C CYS A 48 -2.028 -5.912 -6.879 1.00 0.00 C ATOM 687 O CYS A 48 -2.027 -5.095 -5.981 1.00 0.00 O ATOM 688 CB CYS A 48 -0.684 -7.390 -5.393 1.00 0.00 C ATOM 689 SG CYS A 48 -2.015 -8.277 -4.550 1.00 0.00 S ATOM 0 H CYS A 48 0.430 -5.923 -7.718 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.630 -7.994 -7.236 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.235 -7.975 -5.365 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.478 -6.448 -4.884 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.018 -7.959 -3.289 1.00 0.00 H new ATOM 694 N PRO A 49 -2.829 -5.800 -7.905 1.00 0.00 N ATOM 695 CA PRO A 49 -3.788 -4.678 -8.048 1.00 0.00 C ATOM 696 C PRO A 49 -5.132 -4.987 -7.373 1.00 0.00 C ATOM 697 O PRO A 49 -5.962 -5.686 -7.917 1.00 0.00 O ATOM 698 CB PRO A 49 -3.957 -4.576 -9.563 1.00 0.00 C ATOM 699 CG PRO A 49 -3.776 -5.976 -10.072 1.00 0.00 C ATOM 700 CD PRO A 49 -2.906 -6.723 -9.046 1.00 0.00 C ATOM 0 HA PRO A 49 -3.438 -3.759 -7.578 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.941 -4.186 -9.824 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.220 -3.900 -9.997 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.740 -6.470 -10.191 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.297 -5.971 -11.051 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.354 -7.674 -8.760 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.917 -6.945 -9.447 1.00 0.00 H new ATOM 708 N TYR A 50 -5.348 -4.458 -6.196 1.00 0.00 N ATOM 709 CA TYR A 50 -6.630 -4.705 -5.473 1.00 0.00 C ATOM 710 C TYR A 50 -6.698 -3.750 -4.280 1.00 0.00 C ATOM 711 O TYR A 50 -5.729 -3.577 -3.568 1.00 0.00 O ATOM 712 CB TYR A 50 -6.670 -6.149 -4.959 1.00 0.00 C ATOM 713 CG TYR A 50 -6.863 -7.105 -6.113 1.00 0.00 C ATOM 714 CD1 TYR A 50 -5.856 -8.023 -6.439 1.00 0.00 C ATOM 715 CD2 TYR A 50 -8.048 -7.074 -6.858 1.00 0.00 C ATOM 716 CE1 TYR A 50 -6.035 -8.909 -7.509 1.00 0.00 C ATOM 717 CE2 TYR A 50 -8.228 -7.960 -7.928 1.00 0.00 C ATOM 718 CZ TYR A 50 -7.221 -8.877 -8.253 1.00 0.00 C ATOM 719 OH TYR A 50 -7.397 -9.750 -9.307 1.00 0.00 O ATOM 0 H TYR A 50 -4.685 -3.861 -5.702 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.472 -4.543 -6.146 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.744 -6.382 -4.434 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.481 -6.265 -4.240 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.941 -8.047 -5.865 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -8.824 -6.366 -6.607 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.259 -9.617 -7.760 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.143 -7.936 -8.502 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.274 -9.597 -9.716 1.00 0.00 H new ATOM 729 N VAL A 51 -7.823 -3.124 -4.052 1.00 0.00 N ATOM 730 CA VAL A 51 -7.919 -2.182 -2.899 1.00 0.00 C ATOM 731 C VAL A 51 -8.660 -2.853 -1.740 1.00 0.00 C ATOM 732 O VAL A 51 -9.847 -3.098 -1.797 1.00 0.00 O ATOM 733 CB VAL A 51 -8.630 -0.901 -3.338 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.838 -1.247 -4.208 1.00 0.00 C ATOM 735 CG2 VAL A 51 -9.080 -0.102 -2.109 1.00 0.00 C ATOM 0 H VAL A 51 -8.672 -3.223 -4.609 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.918 -1.919 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.937 -0.293 -3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.339 -0.329 -4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.506 -1.794 -5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.532 -1.865 -3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.585 0.808 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.765 -0.706 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.210 0.160 -1.507 1.00 0.00 H new ATOM 745 N GLY A 52 -7.950 -3.167 -0.688 1.00 0.00 N ATOM 746 CA GLY A 52 -8.580 -3.846 0.480 1.00 0.00 C ATOM 747 C GLY A 52 -9.121 -2.821 1.484 1.00 0.00 C ATOM 748 O GLY A 52 -9.116 -1.632 1.243 1.00 0.00 O ATOM 0 H GLY A 52 -6.952 -2.980 -0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.391 -4.489 0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.849 -4.489 0.970 1.00 0.00 H new ATOM 752 N CYS A 53 -9.596 -3.294 2.609 1.00 0.00 N ATOM 753 CA CYS A 53 -10.158 -2.386 3.652 1.00 0.00 C ATOM 754 C CYS A 53 -9.144 -2.142 4.751 1.00 0.00 C ATOM 755 O CYS A 53 -8.114 -2.780 4.848 1.00 0.00 O ATOM 756 CB CYS A 53 -11.355 -3.047 4.359 1.00 0.00 C ATOM 757 SG CYS A 53 -11.307 -4.839 4.109 1.00 0.00 S ATOM 0 H CYS A 53 -9.618 -4.285 2.851 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.440 -1.465 3.142 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.330 -2.819 5.425 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.288 -2.642 3.968 1.00 0.00 H new ATOM 0 HG CYS A 53 -12.364 -5.214 3.452 1.00 0.00 H new ATOM 762 N GLY A 54 -9.514 -1.269 5.631 1.00 0.00 N ATOM 763 CA GLY A 54 -8.706 -0.984 6.834 1.00 0.00 C ATOM 764 C GLY A 54 -9.614 -1.371 7.985 1.00 0.00 C ATOM 765 O GLY A 54 -10.809 -1.460 7.797 1.00 0.00 O ATOM 0 H GLY A 54 -10.373 -0.723 5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.783 -1.564 6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.423 0.067 6.885 1.00 0.00 H new ATOM 769 N GLU A 55 -9.102 -1.626 9.151 1.00 0.00 N ATOM 770 CA GLU A 55 -10.011 -2.019 10.274 1.00 0.00 C ATOM 771 C GLU A 55 -11.396 -1.453 10.018 1.00 0.00 C ATOM 772 O GLU A 55 -12.399 -2.088 10.275 1.00 0.00 O ATOM 773 CB GLU A 55 -9.485 -1.458 11.584 1.00 0.00 C ATOM 774 CG GLU A 55 -9.618 0.067 11.587 1.00 0.00 C ATOM 775 CD GLU A 55 -8.757 0.652 12.708 1.00 0.00 C ATOM 776 OE1 GLU A 55 -9.229 1.552 13.384 1.00 0.00 O ATOM 777 OE2 GLU A 55 -7.640 0.190 12.873 1.00 0.00 O ATOM 0 H GLU A 55 -8.109 -1.583 9.381 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.055 -3.106 10.335 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.040 -1.882 12.421 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.441 -1.741 11.718 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.305 0.472 10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.661 0.351 11.729 1.00 0.00 H new ATOM 784 N SER A 56 -11.439 -0.269 9.481 1.00 0.00 N ATOM 785 CA SER A 56 -12.739 0.367 9.147 1.00 0.00 C ATOM 786 C SER A 56 -13.756 -0.735 8.851 1.00 0.00 C ATOM 787 O SER A 56 -14.883 -0.698 9.305 1.00 0.00 O ATOM 788 CB SER A 56 -12.545 1.240 7.906 1.00 0.00 C ATOM 789 OG SER A 56 -12.558 2.608 8.291 1.00 0.00 O ATOM 0 H SER A 56 -10.617 0.292 9.257 1.00 0.00 H new ATOM 0 HA SER A 56 -13.096 0.980 9.974 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.601 0.996 7.419 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.337 1.046 7.183 1.00 0.00 H new ATOM 0 HG SER A 56 -13.050 3.131 7.624 1.00 0.00 H new ATOM 795 N PHE A 57 -13.345 -1.734 8.109 1.00 0.00 N ATOM 796 CA PHE A 57 -14.264 -2.868 7.798 1.00 0.00 C ATOM 797 C PHE A 57 -13.686 -4.154 8.374 1.00 0.00 C ATOM 798 O PHE A 57 -13.896 -4.492 9.522 1.00 0.00 O ATOM 799 CB PHE A 57 -14.406 -3.033 6.290 1.00 0.00 C ATOM 800 CG PHE A 57 -15.294 -4.222 6.004 1.00 0.00 C ATOM 801 CD1 PHE A 57 -14.769 -5.357 5.374 1.00 0.00 C ATOM 802 CD2 PHE A 57 -16.645 -4.189 6.374 1.00 0.00 C ATOM 803 CE1 PHE A 57 -15.595 -6.457 5.113 1.00 0.00 C ATOM 804 CE2 PHE A 57 -17.469 -5.289 6.113 1.00 0.00 C ATOM 805 CZ PHE A 57 -16.946 -6.423 5.482 1.00 0.00 C ATOM 0 H PHE A 57 -12.411 -1.811 7.706 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.241 -2.659 8.235 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.833 -2.131 5.852 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.427 -3.177 5.834 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.727 -5.384 5.090 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.050 -3.314 6.861 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.190 -7.332 4.627 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -18.510 -5.263 6.399 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.583 -7.271 5.280 1.00 0.00 H new ATOM 815 N ALA A 58 -12.948 -4.865 7.572 1.00 0.00 N ATOM 816 CA ALA A 58 -12.323 -6.140 8.034 1.00 0.00 C ATOM 817 C ALA A 58 -10.808 -6.008 7.901 1.00 0.00 C ATOM 818 O ALA A 58 -10.057 -6.901 8.238 1.00 0.00 O ATOM 819 CB ALA A 58 -12.815 -7.298 7.164 1.00 0.00 C ATOM 0 H ALA A 58 -12.747 -4.617 6.603 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.594 -6.337 9.071 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.358 -8.228 7.503 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.899 -7.377 7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.539 -7.116 6.125 1.00 0.00 H new ATOM 825 N ASP A 59 -10.365 -4.887 7.408 1.00 0.00 N ATOM 826 CA ASP A 59 -8.906 -4.657 7.238 1.00 0.00 C ATOM 827 C ASP A 59 -8.280 -5.778 6.413 1.00 0.00 C ATOM 828 O ASP A 59 -7.419 -6.493 6.888 1.00 0.00 O ATOM 829 CB ASP A 59 -8.220 -4.594 8.604 1.00 0.00 C ATOM 830 CG ASP A 59 -6.719 -4.389 8.409 1.00 0.00 C ATOM 831 OD1 ASP A 59 -6.002 -5.371 8.410 1.00 0.00 O ATOM 832 OD2 ASP A 59 -6.311 -3.248 8.261 1.00 0.00 O ATOM 0 H ASP A 59 -10.959 -4.112 7.112 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.769 -3.710 6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.636 -3.778 9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.404 -5.514 9.158 1.00 0.00 H new ATOM 837 N HIS A 60 -8.671 -5.930 5.170 1.00 0.00 N ATOM 838 CA HIS A 60 -8.043 -6.994 4.336 1.00 0.00 C ATOM 839 C HIS A 60 -6.534 -6.873 4.528 1.00 0.00 C ATOM 840 O HIS A 60 -5.784 -7.801 4.341 1.00 0.00 O ATOM 841 CB HIS A 60 -8.385 -6.771 2.852 1.00 0.00 C ATOM 842 CG HIS A 60 -9.381 -7.795 2.377 1.00 0.00 C ATOM 843 ND1 HIS A 60 -9.293 -9.160 2.256 1.00 0.00 N flip ATOM 844 CD2 HIS A 60 -10.664 -7.456 1.941 1.00 0.00 C flip ATOM 845 CE1 HIS A 60 -10.487 -9.662 1.759 1.00 0.00 C flip ATOM 846 NE2 HIS A 60 -11.276 -8.602 1.587 1.00 0.00 N flip ATOM 0 H HIS A 60 -9.387 -5.371 4.706 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.406 -7.979 4.629 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.792 -5.769 2.714 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.478 -6.833 2.251 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.085 -6.463 1.896 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.727 -10.695 1.554 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.230 -8.653 1.230 1.00 0.00 H new ATOM 854 N SER A 61 -6.103 -5.708 4.913 1.00 0.00 N ATOM 855 CA SER A 61 -4.653 -5.462 5.138 1.00 0.00 C ATOM 856 C SER A 61 -4.025 -6.625 5.910 1.00 0.00 C ATOM 857 O SER A 61 -2.873 -6.955 5.711 1.00 0.00 O ATOM 858 CB SER A 61 -4.500 -4.168 5.941 1.00 0.00 C ATOM 859 OG SER A 61 -3.268 -3.545 5.603 1.00 0.00 O ATOM 0 H SER A 61 -6.704 -4.902 5.084 1.00 0.00 H new ATOM 0 HA SER A 61 -4.145 -5.375 4.178 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.331 -3.495 5.729 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.530 -4.384 7.009 1.00 0.00 H new ATOM 0 HG SER A 61 -2.705 -3.479 6.402 1.00 0.00 H new ATOM 865 N THR A 62 -4.757 -7.245 6.795 1.00 0.00 N ATOM 866 CA THR A 62 -4.168 -8.369 7.571 1.00 0.00 C ATOM 867 C THR A 62 -4.360 -9.685 6.832 1.00 0.00 C ATOM 868 O THR A 62 -3.414 -10.323 6.432 1.00 0.00 O ATOM 869 CB THR A 62 -4.856 -8.490 8.929 1.00 0.00 C ATOM 870 OG1 THR A 62 -5.633 -7.332 9.181 1.00 0.00 O ATOM 871 CG2 THR A 62 -3.813 -8.661 10.036 1.00 0.00 C ATOM 0 H THR A 62 -5.729 -7.023 7.012 1.00 0.00 H new ATOM 0 HA THR A 62 -3.105 -8.163 7.700 1.00 0.00 H new ATOM 0 HB THR A 62 -5.507 -9.365 8.916 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.117 -6.534 8.943 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.316 -8.746 10.999 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.230 -9.563 9.850 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.150 -7.796 10.048 1.00 0.00 H new ATOM 879 N ILE A 63 -5.587 -10.115 6.683 1.00 0.00 N ATOM 880 CA ILE A 63 -5.825 -11.415 6.008 1.00 0.00 C ATOM 881 C ILE A 63 -5.204 -11.391 4.613 1.00 0.00 C ATOM 882 O ILE A 63 -4.695 -12.382 4.130 1.00 0.00 O ATOM 883 CB ILE A 63 -7.318 -11.699 5.896 1.00 0.00 C ATOM 884 CG1 ILE A 63 -8.021 -10.459 5.366 1.00 0.00 C ATOM 885 CG2 ILE A 63 -7.880 -12.063 7.273 1.00 0.00 C ATOM 886 CD1 ILE A 63 -9.398 -10.839 4.821 1.00 0.00 C ATOM 0 H ILE A 63 -6.424 -9.624 6.998 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.364 -12.203 6.603 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.482 -12.533 5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.125 -9.721 6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.423 -9.998 4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.948 -12.265 7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.371 -12.950 7.651 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.721 -11.233 7.962 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.898 -9.948 4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.283 -11.561 4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.996 -11.279 5.619 1.00 0.00 H new ATOM 898 N HIS A 64 -5.241 -10.265 3.965 1.00 0.00 N ATOM 899 CA HIS A 64 -4.649 -10.170 2.601 1.00 0.00 C ATOM 900 C HIS A 64 -3.127 -10.234 2.708 1.00 0.00 C ATOM 901 O HIS A 64 -2.473 -10.914 1.944 1.00 0.00 O ATOM 902 CB HIS A 64 -5.051 -8.857 1.932 1.00 0.00 C ATOM 903 CG HIS A 64 -4.442 -8.817 0.562 1.00 0.00 C ATOM 904 ND1 HIS A 64 -5.189 -9.005 -0.591 1.00 0.00 N ATOM 905 CD2 HIS A 64 -3.147 -8.645 0.148 1.00 0.00 C ATOM 906 CE1 HIS A 64 -4.341 -8.946 -1.634 1.00 0.00 C ATOM 907 NE2 HIS A 64 -3.084 -8.731 -1.236 1.00 0.00 N ATOM 0 H HIS A 64 -5.656 -9.403 4.319 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.019 -11.000 1.998 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.136 -8.782 1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.708 -8.009 2.524 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.196 -9.160 -0.640 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.304 -8.469 0.799 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.640 -9.059 -2.666 1.00 0.00 H new ATOM 915 N ALA A 65 -2.554 -9.552 3.665 1.00 0.00 N ATOM 916 CA ALA A 65 -1.074 -9.613 3.818 1.00 0.00 C ATOM 917 C ALA A 65 -0.754 -10.959 4.448 1.00 0.00 C ATOM 918 O ALA A 65 0.348 -11.458 4.402 1.00 0.00 O ATOM 919 CB ALA A 65 -0.595 -8.483 4.733 1.00 0.00 C ATOM 0 H ALA A 65 -3.042 -8.962 4.339 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.576 -9.500 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.489 -8.535 4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.871 -7.522 4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.061 -8.586 5.713 1.00 0.00 H new ATOM 925 N GLN A 66 -1.747 -11.522 5.055 1.00 0.00 N ATOM 926 CA GLN A 66 -1.627 -12.829 5.741 1.00 0.00 C ATOM 927 C GLN A 66 -1.781 -13.977 4.736 1.00 0.00 C ATOM 928 O GLN A 66 -1.188 -15.029 4.880 1.00 0.00 O ATOM 929 CB GLN A 66 -2.783 -12.866 6.733 1.00 0.00 C ATOM 930 CG GLN A 66 -3.009 -14.261 7.317 1.00 0.00 C ATOM 931 CD GLN A 66 -2.203 -14.419 8.610 1.00 0.00 C ATOM 932 OE1 GLN A 66 -1.301 -13.651 8.875 1.00 0.00 O ATOM 933 NE2 GLN A 66 -2.495 -15.390 9.431 1.00 0.00 N ATOM 0 H GLN A 66 -2.679 -11.112 5.107 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.656 -12.942 6.224 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.585 -12.164 7.543 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.694 -12.531 6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.069 -14.414 7.518 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.709 -15.020 6.595 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.253 -16.035 9.209 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.965 -15.504 10.295 1.00 0.00 H new ATOM 942 N ALA A 67 -2.597 -13.792 3.737 1.00 0.00 N ATOM 943 CA ALA A 67 -2.828 -14.873 2.740 1.00 0.00 C ATOM 944 C ALA A 67 -1.808 -14.767 1.610 1.00 0.00 C ATOM 945 O ALA A 67 -1.249 -15.749 1.164 1.00 0.00 O ATOM 946 CB ALA A 67 -4.245 -14.743 2.171 1.00 0.00 C ATOM 0 H ALA A 67 -3.118 -12.932 3.567 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.717 -15.842 3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.418 -15.533 1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.971 -14.831 2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.356 -13.772 1.688 1.00 0.00 H new ATOM 952 N LYS A 68 -1.578 -13.576 1.135 1.00 0.00 N ATOM 953 CA LYS A 68 -0.612 -13.387 0.018 1.00 0.00 C ATOM 954 C LYS A 68 0.732 -12.932 0.578 1.00 0.00 C ATOM 955 O LYS A 68 1.647 -12.601 -0.150 1.00 0.00 O ATOM 956 CB LYS A 68 -1.164 -12.333 -0.938 1.00 0.00 C ATOM 957 CG LYS A 68 -2.572 -12.748 -1.395 1.00 0.00 C ATOM 958 CD LYS A 68 -3.630 -12.096 -0.502 1.00 0.00 C ATOM 959 CE LYS A 68 -5.015 -12.292 -1.123 1.00 0.00 C ATOM 960 NZ LYS A 68 -6.058 -11.831 -0.165 1.00 0.00 N ATOM 0 H LYS A 68 -2.019 -12.721 1.474 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.471 -14.326 -0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.201 -11.362 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.506 -12.227 -1.800 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.728 -12.451 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.670 -13.833 -1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.601 -12.536 0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.419 -11.033 -0.387 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.090 -11.733 -2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.170 -13.343 -1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.001 -12.011 -0.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.958 -12.348 0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.944 -10.812 0.008 1.00 0.00 H new ATOM 974 N LYS A 69 0.854 -12.931 1.869 1.00 0.00 N ATOM 975 CA LYS A 69 2.130 -12.521 2.511 1.00 0.00 C ATOM 976 C LYS A 69 2.586 -11.155 1.979 1.00 0.00 C ATOM 977 O LYS A 69 3.723 -10.764 2.164 1.00 0.00 O ATOM 978 CB LYS A 69 3.211 -13.576 2.235 1.00 0.00 C ATOM 979 CG LYS A 69 2.575 -14.964 2.046 1.00 0.00 C ATOM 980 CD LYS A 69 1.518 -15.234 3.134 1.00 0.00 C ATOM 981 CE LYS A 69 1.592 -16.699 3.574 1.00 0.00 C ATOM 982 NZ LYS A 69 2.929 -16.971 4.175 1.00 0.00 N ATOM 0 H LYS A 69 0.115 -13.200 2.518 1.00 0.00 H new ATOM 0 HA LYS A 69 1.970 -12.439 3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.774 -13.303 1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.920 -13.604 3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.113 -15.026 1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.348 -15.732 2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.686 -14.579 3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.523 -15.009 2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.806 -16.912 4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.425 -17.355 2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.835 -17.693 4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.578 -17.314 3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.308 -16.096 4.589 1.00 0.00 H new ATOM 996 N HIS A 70 1.715 -10.409 1.351 1.00 0.00 N ATOM 997 CA HIS A 70 2.131 -9.059 0.858 1.00 0.00 C ATOM 998 C HIS A 70 2.248 -8.142 2.077 1.00 0.00 C ATOM 999 O HIS A 70 1.305 -7.969 2.822 1.00 0.00 O ATOM 1000 CB HIS A 70 1.091 -8.518 -0.129 1.00 0.00 C ATOM 1001 CG HIS A 70 1.137 -9.343 -1.386 1.00 0.00 C ATOM 1002 ND1 HIS A 70 0.003 -9.619 -2.138 1.00 0.00 N ATOM 1003 CD2 HIS A 70 2.178 -9.962 -2.039 1.00 0.00 C ATOM 1004 CE1 HIS A 70 0.387 -10.373 -3.186 1.00 0.00 C ATOM 1005 NE2 HIS A 70 1.698 -10.607 -3.170 1.00 0.00 N ATOM 0 H HIS A 70 0.747 -10.669 1.159 1.00 0.00 H new ATOM 0 HA HIS A 70 3.086 -9.113 0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.095 -8.559 0.313 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.296 -7.472 -0.357 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.947 -9.308 -1.934 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.210 -9.948 -1.720 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.286 -10.742 -3.946 1.00 0.00 H new ATOM 1013 N ASN A 71 3.407 -7.584 2.317 1.00 0.00 N ATOM 1014 CA ASN A 71 3.579 -6.723 3.522 1.00 0.00 C ATOM 1015 C ASN A 71 3.241 -5.266 3.214 1.00 0.00 C ATOM 1016 O ASN A 71 2.632 -4.581 4.012 1.00 0.00 O ATOM 1017 CB ASN A 71 5.030 -6.811 3.988 1.00 0.00 C ATOM 1018 CG ASN A 71 5.964 -6.725 2.779 1.00 0.00 C ATOM 1019 OD1 ASN A 71 5.626 -6.131 1.775 1.00 0.00 O ATOM 1020 ND2 ASN A 71 7.136 -7.297 2.834 1.00 0.00 N ATOM 0 H ASN A 71 4.237 -7.687 1.733 1.00 0.00 H new ATOM 0 HA ASN A 71 2.901 -7.075 4.300 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.248 -6.003 4.687 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.195 -7.747 4.522 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.767 -7.245 2.034 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.421 -7.796 3.677 1.00 0.00 H new ATOM 1027 N LEU A 72 3.667 -4.772 2.090 1.00 0.00 N ATOM 1028 CA LEU A 72 3.418 -3.340 1.766 1.00 0.00 C ATOM 1029 C LEU A 72 2.034 -3.101 1.168 1.00 0.00 C ATOM 1030 O LEU A 72 1.579 -3.799 0.285 1.00 0.00 O ATOM 1031 CB LEU A 72 4.468 -2.871 0.768 1.00 0.00 C ATOM 1032 CG LEU A 72 5.842 -2.878 1.433 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.916 -2.771 0.356 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.965 -1.688 2.394 1.00 0.00 C ATOM 0 H LEU A 72 4.178 -5.296 1.379 1.00 0.00 H new ATOM 0 HA LEU A 72 3.474 -2.781 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.472 -3.523 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.228 -1.868 0.416 1.00 0.00 H new ATOM 0 HG LEU A 72 5.968 -3.804 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.901 -2.775 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.834 -3.618 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.782 -1.843 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.948 -1.700 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.840 -0.758 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.195 -1.759 3.162 1.00 0.00 H new ATOM 1046 N THR A 73 1.396 -2.066 1.637 1.00 0.00 N ATOM 1047 CA THR A 73 0.059 -1.672 1.118 1.00 0.00 C ATOM 1048 C THR A 73 -0.044 -0.156 1.288 1.00 0.00 C ATOM 1049 O THR A 73 0.688 0.419 2.065 1.00 0.00 O ATOM 1050 CB THR A 73 -1.047 -2.369 1.918 1.00 0.00 C ATOM 1051 OG1 THR A 73 -2.175 -1.509 2.010 1.00 0.00 O ATOM 1052 CG2 THR A 73 -0.541 -2.698 3.325 1.00 0.00 C ATOM 0 H THR A 73 1.755 -1.463 2.377 1.00 0.00 H new ATOM 0 HA THR A 73 -0.058 -1.961 0.074 1.00 0.00 H new ATOM 0 HB THR A 73 -1.330 -3.293 1.413 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.508 -1.308 1.110 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.331 -3.193 3.889 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.324 -3.358 3.256 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.255 -1.777 3.833 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.913 0.513 0.576 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.985 2.001 0.724 1.00 0.00 C ATOM 1062 C VAL A 74 -2.386 2.443 1.145 1.00 0.00 C ATOM 1063 O VAL A 74 -3.387 1.967 0.648 1.00 0.00 O ATOM 1064 CB VAL A 74 -0.599 2.665 -0.603 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -1.278 1.935 -1.764 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -1.043 4.131 -0.599 1.00 0.00 C ATOM 0 H VAL A 74 -1.567 0.104 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.287 2.308 1.503 1.00 0.00 H new ATOM 0 HB VAL A 74 0.483 2.613 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.001 2.411 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.958 0.893 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.360 1.981 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.766 4.598 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.124 4.183 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.555 4.657 0.222 1.00 0.00 H new ATOM 1076 N ASN A 75 -2.444 3.360 2.076 1.00 0.00 N ATOM 1077 CA ASN A 75 -3.754 3.866 2.570 1.00 0.00 C ATOM 1078 C ASN A 75 -4.191 5.066 1.733 1.00 0.00 C ATOM 1079 O ASN A 75 -3.644 6.146 1.843 1.00 0.00 O ATOM 1080 CB ASN A 75 -3.612 4.297 4.029 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.999 4.530 4.628 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.976 4.610 3.912 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -5.127 4.646 5.922 1.00 0.00 N ATOM 0 H ASN A 75 -1.628 3.783 2.518 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.500 3.075 2.489 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.083 3.531 4.596 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.018 5.209 4.094 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.048 4.804 6.331 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.306 4.579 6.524 1.00 0.00 H new ATOM 1090 N LEU A 76 -5.178 4.887 0.907 1.00 0.00 N ATOM 1091 CA LEU A 76 -5.663 6.015 0.071 1.00 0.00 C ATOM 1092 C LEU A 76 -6.364 7.021 0.982 1.00 0.00 C ATOM 1093 O LEU A 76 -6.914 8.008 0.538 1.00 0.00 O ATOM 1094 CB LEU A 76 -6.639 5.478 -0.981 1.00 0.00 C ATOM 1095 CG LEU A 76 -6.101 4.144 -1.553 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -7.235 3.110 -1.692 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -5.444 4.382 -2.923 1.00 0.00 C ATOM 0 H LEU A 76 -5.672 4.005 0.774 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.832 6.502 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.622 5.325 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.763 6.206 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.357 3.752 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.833 2.181 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.676 2.920 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.000 3.497 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.069 3.437 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.180 4.795 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.616 5.083 -2.813 1.00 0.00 H new ATOM 1109 N THR A 77 -6.329 6.772 2.263 1.00 0.00 N ATOM 1110 CA THR A 77 -6.970 7.701 3.232 1.00 0.00 C ATOM 1111 C THR A 77 -5.961 8.773 3.625 1.00 0.00 C ATOM 1112 O THR A 77 -6.292 9.933 3.773 1.00 0.00 O ATOM 1113 CB THR A 77 -7.393 6.922 4.477 1.00 0.00 C ATOM 1114 OG1 THR A 77 -8.168 5.804 4.081 1.00 0.00 O ATOM 1115 CG2 THR A 77 -8.209 7.833 5.398 1.00 0.00 C ATOM 0 H THR A 77 -5.880 5.957 2.681 1.00 0.00 H new ATOM 0 HA THR A 77 -7.847 8.164 2.780 1.00 0.00 H new ATOM 0 HB THR A 77 -6.512 6.576 5.017 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.577 5.043 3.903 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.510 7.277 6.286 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.602 8.688 5.694 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.096 8.183 4.870 1.00 0.00 H new ATOM 1123 N THR A 78 -4.727 8.383 3.805 1.00 0.00 N ATOM 1124 CA THR A 78 -3.675 9.369 4.203 1.00 0.00 C ATOM 1125 C THR A 78 -2.552 9.422 3.161 1.00 0.00 C ATOM 1126 O THR A 78 -1.765 10.347 3.143 1.00 0.00 O ATOM 1127 CB THR A 78 -3.084 8.963 5.555 1.00 0.00 C ATOM 1128 OG1 THR A 78 -4.135 8.593 6.437 1.00 0.00 O ATOM 1129 CG2 THR A 78 -2.305 10.138 6.149 1.00 0.00 C ATOM 0 H THR A 78 -4.400 7.423 3.694 1.00 0.00 H new ATOM 0 HA THR A 78 -4.135 10.355 4.272 1.00 0.00 H new ATOM 0 HB THR A 78 -2.410 8.118 5.418 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.224 9.269 7.141 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.885 9.847 7.112 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.499 10.420 5.472 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.975 10.986 6.287 1.00 0.00 H new ATOM 1137 N PHE A 79 -2.472 8.451 2.295 1.00 0.00 N ATOM 1138 CA PHE A 79 -1.400 8.456 1.251 1.00 0.00 C ATOM 1139 C PHE A 79 -0.054 8.042 1.859 1.00 0.00 C ATOM 1140 O PHE A 79 0.942 8.724 1.715 1.00 0.00 O ATOM 1141 CB PHE A 79 -1.280 9.851 0.626 1.00 0.00 C ATOM 1142 CG PHE A 79 -2.648 10.488 0.538 1.00 0.00 C ATOM 1143 CD1 PHE A 79 -3.708 9.788 -0.051 1.00 0.00 C ATOM 1144 CD2 PHE A 79 -2.857 11.776 1.048 1.00 0.00 C ATOM 1145 CE1 PHE A 79 -4.976 10.376 -0.133 1.00 0.00 C ATOM 1146 CE2 PHE A 79 -4.126 12.363 0.966 1.00 0.00 C ATOM 1147 CZ PHE A 79 -5.185 11.663 0.376 1.00 0.00 C ATOM 0 H PHE A 79 -3.103 7.650 2.262 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.670 7.738 0.477 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.616 10.473 1.226 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.837 9.778 -0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.547 8.794 -0.442 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.040 12.316 1.504 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.793 9.836 -0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.288 13.356 1.358 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.163 12.116 0.314 1.00 0.00 H new ATOM 1157 N ARG A 80 -0.016 6.911 2.503 1.00 0.00 N ATOM 1158 CA ARG A 80 1.253 6.401 3.094 1.00 0.00 C ATOM 1159 C ARG A 80 1.242 4.887 2.916 1.00 0.00 C ATOM 1160 O ARG A 80 0.318 4.337 2.357 1.00 0.00 O ATOM 1161 CB ARG A 80 1.362 6.749 4.587 1.00 0.00 C ATOM 1162 CG ARG A 80 -0.001 7.185 5.144 1.00 0.00 C ATOM 1163 CD ARG A 80 -0.022 6.944 6.658 1.00 0.00 C ATOM 1164 NE ARG A 80 -1.355 7.310 7.220 1.00 0.00 N ATOM 1165 CZ ARG A 80 -2.301 6.412 7.317 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -3.458 6.737 7.827 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -2.094 5.192 6.901 1.00 0.00 N ATOM 0 H ARG A 80 -0.825 6.307 2.648 1.00 0.00 H new ATOM 0 HA ARG A 80 2.107 6.861 2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.727 5.884 5.141 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.090 7.548 4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.176 8.239 4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.802 6.624 4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.195 5.897 6.870 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.758 7.535 7.138 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.529 8.266 7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.624 7.690 8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.196 6.037 7.903 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.192 4.936 6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.834 4.494 6.978 1.00 0.00 H new ATOM 1181 N LEU A 81 2.253 4.209 3.367 1.00 0.00 N ATOM 1182 CA LEU A 81 2.282 2.731 3.194 1.00 0.00 C ATOM 1183 C LEU A 81 2.291 2.041 4.551 1.00 0.00 C ATOM 1184 O LEU A 81 2.346 2.667 5.590 1.00 0.00 O ATOM 1185 CB LEU A 81 3.539 2.340 2.411 1.00 0.00 C ATOM 1186 CG LEU A 81 3.246 2.334 0.903 1.00 0.00 C ATOM 1187 CD1 LEU A 81 4.449 2.904 0.141 1.00 0.00 C ATOM 1188 CD2 LEU A 81 2.966 0.900 0.417 1.00 0.00 C ATOM 0 H LEU A 81 3.059 4.609 3.847 1.00 0.00 H new ATOM 0 HA LEU A 81 1.393 2.418 2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.345 3.041 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.880 1.354 2.726 1.00 0.00 H new ATOM 0 HG LEU A 81 2.367 2.950 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.238 2.898 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.636 3.927 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.329 2.293 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.760 0.912 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.836 0.273 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.103 0.498 0.948 1.00 0.00 H new ATOM 1200 N TRP A 82 2.241 0.745 4.530 1.00 0.00 N ATOM 1201 CA TRP A 82 2.250 -0.040 5.787 1.00 0.00 C ATOM 1202 C TRP A 82 2.837 -1.411 5.474 1.00 0.00 C ATOM 1203 O TRP A 82 2.250 -2.200 4.758 1.00 0.00 O ATOM 1204 CB TRP A 82 0.823 -0.186 6.316 1.00 0.00 C ATOM 1205 CG TRP A 82 0.854 -0.640 7.742 1.00 0.00 C ATOM 1206 CD1 TRP A 82 1.514 -0.012 8.744 1.00 0.00 C ATOM 1207 CD2 TRP A 82 0.209 -1.800 8.341 1.00 0.00 C ATOM 1208 NE1 TRP A 82 1.313 -0.715 9.918 1.00 0.00 N ATOM 1209 CE2 TRP A 82 0.516 -1.824 9.721 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -0.606 -2.824 7.824 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 0.033 -2.829 10.561 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -1.094 -3.837 8.666 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -0.776 -3.839 10.032 1.00 0.00 C ATOM 0 H TRP A 82 2.193 0.186 3.678 1.00 0.00 H new ATOM 0 HA TRP A 82 2.847 0.461 6.549 1.00 0.00 H new ATOM 0 HB2 TRP A 82 0.298 0.766 6.239 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.272 -0.904 5.708 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.101 0.889 8.643 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.706 -0.446 10.820 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -0.858 -2.831 6.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.282 -2.826 11.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.718 -4.619 8.259 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -1.156 -4.620 10.674 1.00 0.00 H new ATOM 1224 N CYS A 83 4.003 -1.689 5.977 1.00 0.00 N ATOM 1225 CA CYS A 83 4.646 -2.994 5.691 1.00 0.00 C ATOM 1226 C CYS A 83 4.301 -3.994 6.783 1.00 0.00 C ATOM 1227 O CYS A 83 4.776 -3.885 7.886 1.00 0.00 O ATOM 1228 CB CYS A 83 6.162 -2.804 5.661 1.00 0.00 C ATOM 1229 SG CYS A 83 6.876 -3.894 4.411 1.00 0.00 S ATOM 0 H CYS A 83 4.541 -1.064 6.577 1.00 0.00 H new ATOM 0 HA CYS A 83 4.289 -3.367 4.731 1.00 0.00 H new ATOM 0 HB2 CYS A 83 6.405 -1.766 5.436 1.00 0.00 H new ATOM 0 HB3 CYS A 83 6.587 -3.026 6.640 1.00 0.00 H new ATOM 0 HG CYS A 83 8.140 -4.071 4.660 1.00 0.00 H new ATOM 1234 N TYR A 84 3.511 -4.986 6.491 1.00 0.00 N ATOM 1235 CA TYR A 84 3.212 -5.988 7.545 1.00 0.00 C ATOM 1236 C TYR A 84 4.495 -6.780 7.778 1.00 0.00 C ATOM 1237 O TYR A 84 4.552 -7.687 8.584 1.00 0.00 O ATOM 1238 CB TYR A 84 2.081 -6.922 7.094 1.00 0.00 C ATOM 1239 CG TYR A 84 1.479 -7.604 8.302 1.00 0.00 C ATOM 1240 CD1 TYR A 84 1.593 -8.992 8.454 1.00 0.00 C ATOM 1241 CD2 TYR A 84 0.808 -6.848 9.270 1.00 0.00 C ATOM 1242 CE1 TYR A 84 1.035 -9.622 9.573 1.00 0.00 C ATOM 1243 CE2 TYR A 84 0.250 -7.478 10.389 1.00 0.00 C ATOM 1244 CZ TYR A 84 0.363 -8.865 10.540 1.00 0.00 C ATOM 1245 OH TYR A 84 -0.187 -9.486 11.643 1.00 0.00 O ATOM 0 H TYR A 84 3.067 -5.145 5.586 1.00 0.00 H new ATOM 0 HA TYR A 84 2.883 -5.500 8.462 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.316 -6.355 6.564 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.466 -7.666 6.397 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.111 -9.576 7.708 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.721 -5.778 9.154 1.00 0.00 H new ATOM 0 HE1 TYR A 84 1.123 -10.692 9.690 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.268 -6.894 11.136 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.616 -8.816 12.216 1.00 0.00 H new ATOM 1255 N ALA A 85 5.542 -6.401 7.086 1.00 0.00 N ATOM 1256 CA ALA A 85 6.854 -7.073 7.262 1.00 0.00 C ATOM 1257 C ALA A 85 7.687 -6.175 8.170 1.00 0.00 C ATOM 1258 O ALA A 85 7.894 -6.473 9.330 1.00 0.00 O ATOM 1259 CB ALA A 85 7.560 -7.240 5.914 1.00 0.00 C ATOM 0 H ALA A 85 5.537 -5.646 6.401 1.00 0.00 H new ATOM 0 HA ALA A 85 6.722 -8.066 7.692 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.520 -7.734 6.065 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.941 -7.844 5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.723 -6.260 5.465 1.00 0.00 H new ATOM 1265 N CYS A 86 8.114 -5.038 7.673 1.00 0.00 N ATOM 1266 CA CYS A 86 8.861 -4.107 8.541 1.00 0.00 C ATOM 1267 C CYS A 86 7.880 -3.690 9.625 1.00 0.00 C ATOM 1268 O CYS A 86 8.230 -3.107 10.632 1.00 0.00 O ATOM 1269 CB CYS A 86 9.305 -2.882 7.731 1.00 0.00 C ATOM 1270 SG CYS A 86 10.231 -3.418 6.271 1.00 0.00 S ATOM 0 H CYS A 86 7.974 -4.727 6.712 1.00 0.00 H new ATOM 0 HA CYS A 86 9.757 -4.566 8.960 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.435 -2.300 7.428 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.925 -2.231 8.348 1.00 0.00 H new ATOM 0 HG CYS A 86 9.790 -2.789 5.222 1.00 0.00 H new ATOM 1275 N GLU A 87 6.633 -4.014 9.400 1.00 0.00 N ATOM 1276 CA GLU A 87 5.563 -3.683 10.373 1.00 0.00 C ATOM 1277 C GLU A 87 5.683 -2.213 10.785 1.00 0.00 C ATOM 1278 O GLU A 87 5.897 -1.883 11.934 1.00 0.00 O ATOM 1279 CB GLU A 87 5.694 -4.621 11.575 1.00 0.00 C ATOM 1280 CG GLU A 87 4.428 -5.473 11.716 1.00 0.00 C ATOM 1281 CD GLU A 87 3.280 -4.603 12.233 1.00 0.00 C ATOM 1282 OE1 GLU A 87 3.530 -3.785 13.103 1.00 0.00 O ATOM 1283 OE2 GLU A 87 2.173 -4.770 11.750 1.00 0.00 O ATOM 0 H GLU A 87 6.311 -4.503 8.565 1.00 0.00 H new ATOM 0 HA GLU A 87 4.577 -3.821 9.929 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.564 -5.266 11.450 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.855 -4.041 12.484 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.162 -5.910 10.753 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.609 -6.300 12.402 1.00 0.00 H new ATOM 1290 N LYS A 88 5.534 -1.329 9.836 1.00 0.00 N ATOM 1291 CA LYS A 88 5.623 0.128 10.137 1.00 0.00 C ATOM 1292 C LYS A 88 4.938 0.905 9.010 1.00 0.00 C ATOM 1293 O LYS A 88 4.366 0.324 8.112 1.00 0.00 O ATOM 1294 CB LYS A 88 7.091 0.547 10.228 1.00 0.00 C ATOM 1295 CG LYS A 88 7.879 -0.131 9.108 1.00 0.00 C ATOM 1296 CD LYS A 88 9.293 0.455 9.045 1.00 0.00 C ATOM 1297 CE LYS A 88 10.078 0.057 10.300 1.00 0.00 C ATOM 1298 NZ LYS A 88 9.783 1.023 11.396 1.00 0.00 N ATOM 0 H LYS A 88 5.353 -1.556 8.858 1.00 0.00 H new ATOM 0 HA LYS A 88 5.133 0.340 11.087 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.178 1.630 10.145 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.502 0.267 11.198 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.928 -1.206 9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.372 0.014 8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.807 0.094 8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.243 1.541 8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.806 -0.953 10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.147 0.048 10.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.672 1.436 11.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.167 1.780 11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.304 0.528 12.175 1.00 0.00 H new ATOM 1312 N GLU A 89 4.996 2.210 9.047 1.00 0.00 N ATOM 1313 CA GLU A 89 4.350 3.025 7.972 1.00 0.00 C ATOM 1314 C GLU A 89 5.440 3.685 7.125 1.00 0.00 C ATOM 1315 O GLU A 89 6.476 4.066 7.631 1.00 0.00 O ATOM 1316 CB GLU A 89 3.466 4.103 8.624 1.00 0.00 C ATOM 1317 CG GLU A 89 2.063 4.085 8.005 1.00 0.00 C ATOM 1318 CD GLU A 89 1.078 4.770 8.954 1.00 0.00 C ATOM 1319 OE1 GLU A 89 -0.097 4.449 8.890 1.00 0.00 O ATOM 1320 OE2 GLU A 89 1.516 5.604 9.730 1.00 0.00 O ATOM 0 H GLU A 89 5.463 2.749 9.776 1.00 0.00 H new ATOM 0 HA GLU A 89 3.734 2.390 7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.400 3.928 9.698 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.918 5.085 8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.072 4.596 7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.750 3.058 7.818 1.00 0.00 H new ATOM 1327 N VAL A 90 5.232 3.815 5.837 1.00 0.00 N ATOM 1328 CA VAL A 90 6.286 4.441 4.989 1.00 0.00 C ATOM 1329 C VAL A 90 5.646 5.184 3.812 1.00 0.00 C ATOM 1330 O VAL A 90 4.640 4.781 3.280 1.00 0.00 O ATOM 1331 CB VAL A 90 7.237 3.346 4.468 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.159 2.896 5.605 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.434 2.138 3.953 1.00 0.00 C ATOM 0 H VAL A 90 4.389 3.518 5.345 1.00 0.00 H new ATOM 0 HA VAL A 90 6.850 5.158 5.586 1.00 0.00 H new ATOM 0 HB VAL A 90 7.828 3.751 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.834 2.121 5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.741 3.747 5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.559 2.499 6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.120 1.374 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.832 1.728 4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.780 2.455 3.141 1.00 0.00 H new ATOM 1343 N PHE A 91 6.230 6.272 3.403 1.00 0.00 N ATOM 1344 CA PHE A 91 5.674 7.050 2.258 1.00 0.00 C ATOM 1345 C PHE A 91 6.481 6.739 1.019 1.00 0.00 C ATOM 1346 O PHE A 91 7.533 6.135 1.088 1.00 0.00 O ATOM 1347 CB PHE A 91 5.830 8.544 2.502 1.00 0.00 C ATOM 1348 CG PHE A 91 5.035 8.960 3.717 1.00 0.00 C ATOM 1349 CD1 PHE A 91 5.531 8.701 5.001 1.00 0.00 C ATOM 1350 CD2 PHE A 91 3.803 9.607 3.560 1.00 0.00 C ATOM 1351 CE1 PHE A 91 4.795 9.088 6.128 1.00 0.00 C ATOM 1352 CE2 PHE A 91 3.067 9.994 4.687 1.00 0.00 C ATOM 1353 CZ PHE A 91 3.562 9.735 5.970 1.00 0.00 C ATOM 0 H PHE A 91 7.078 6.662 3.815 1.00 0.00 H new ATOM 0 HA PHE A 91 4.623 6.785 2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.882 8.788 2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.490 9.100 1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.481 8.203 5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.420 9.808 2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.177 8.888 7.118 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.117 10.493 4.566 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.994 10.034 6.838 1.00 0.00 H new ATOM 1363 N LEU A 92 6.017 7.179 -0.114 1.00 0.00 N ATOM 1364 CA LEU A 92 6.785 6.947 -1.351 1.00 0.00 C ATOM 1365 C LEU A 92 8.258 7.188 -1.021 1.00 0.00 C ATOM 1366 O LEU A 92 8.586 7.878 -0.076 1.00 0.00 O ATOM 1367 CB LEU A 92 6.302 7.914 -2.434 1.00 0.00 C ATOM 1368 CG LEU A 92 5.018 7.362 -3.076 1.00 0.00 C ATOM 1369 CD1 LEU A 92 4.007 6.998 -1.984 1.00 0.00 C ATOM 1370 CD2 LEU A 92 4.397 8.414 -4.006 1.00 0.00 C ATOM 0 H LEU A 92 5.141 7.687 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 92 6.649 5.932 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.112 8.896 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.074 8.043 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 92 5.271 6.473 -3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.099 6.608 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.436 6.240 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.765 7.887 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.489 8.012 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.153 9.308 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.108 8.670 -4.792 1.00 0.00 H new ATOM 1382 N GLU A 93 9.138 6.603 -1.757 1.00 0.00 N ATOM 1383 CA GLU A 93 10.590 6.768 -1.453 1.00 0.00 C ATOM 1384 C GLU A 93 10.978 8.248 -1.526 1.00 0.00 C ATOM 1385 O GLU A 93 12.125 8.602 -1.343 1.00 0.00 O ATOM 1386 CB GLU A 93 11.448 5.935 -2.421 1.00 0.00 C ATOM 1387 CG GLU A 93 10.829 5.919 -3.823 1.00 0.00 C ATOM 1388 CD GLU A 93 11.282 4.660 -4.567 1.00 0.00 C ATOM 1389 OE1 GLU A 93 10.530 4.188 -5.404 1.00 0.00 O ATOM 1390 OE2 GLU A 93 12.372 4.190 -4.288 1.00 0.00 O ATOM 0 H GLU A 93 8.926 6.013 -2.562 1.00 0.00 H new ATOM 0 HA GLU A 93 10.776 6.407 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.455 6.348 -2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.539 4.915 -2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.742 5.941 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.130 6.809 -4.375 1.00 0.00 H new ATOM 1397 N GLN A 94 10.028 9.112 -1.770 1.00 0.00 N ATOM 1398 CA GLN A 94 10.331 10.575 -1.838 1.00 0.00 C ATOM 1399 C GLN A 94 11.303 10.870 -2.987 1.00 0.00 C ATOM 1400 O GLN A 94 11.232 11.909 -3.615 1.00 0.00 O ATOM 1401 CB GLN A 94 10.953 11.036 -0.516 1.00 0.00 C ATOM 1402 CG GLN A 94 10.162 10.450 0.657 1.00 0.00 C ATOM 1403 CD GLN A 94 10.673 11.050 1.969 1.00 0.00 C ATOM 1404 OE1 GLN A 94 9.955 11.756 2.647 1.00 0.00 O ATOM 1405 NE2 GLN A 94 11.893 10.796 2.356 1.00 0.00 N ATOM 0 H GLN A 94 9.050 8.867 -1.926 1.00 0.00 H new ATOM 0 HA GLN A 94 9.400 11.114 -2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.994 10.717 -0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.950 12.125 -0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.100 10.664 0.536 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.268 9.365 0.675 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.496 10.203 1.786 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.244 11.191 3.229 1.00 0.00 H new