USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 723 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 69 TYR OH : rot -127:sc= 0.413 USER MOD Set 1.2: A 95 ASN : amide:sc= -0.447 K(o=-0.034,f=-9.6!) USER MOD Set 2.1: A 37 CYS SG : rot 171:sc= 0.0289 USER MOD Set 2.2: A 39 THR OG1 : rot -170:sc= 0 USER MOD Set 2.3: A 40 CYS SG : rot -59:sc= -0.92 USER MOD Set 2.4: A 57 HIS : no HE2:sc= 0.576 K(o=-0.3,f=-1.1) USER MOD Set 2.5: A 61 THR OG1 : rot -168:sc= 0.533 USER MOD Set 2.6: A 63 HIS : no HD1:sc= -0.518 X(o=-0.3,f=-0.68) USER MOD Set 3.1: A 45 CYS SG : rot 6:sc= -2.45! USER MOD Set 3.2: A 49 SER OG : rot 147:sc= 1.08 USER MOD Set 4.1: A 21 CYS SG : rot 32:sc= -1.57! USER MOD Set 4.2: A 24 CYS SG : rot -134:sc= 0.811 USER MOD Set 4.3: A 29 SER OG : rot -152:sc= 0.849 USER MOD Set 4.4: A 42 HIS : no HE2:sc= -1.11 K(o=-2.1,f=-4.1) USER MOD Set 4.5: A 51 HIS : no HE2:sc= 0.107 K(o=-2.1,f=-6.1) USER MOD Set 4.6: A 53 HIS : no HD1:sc= -1.22 X(o=-2.1,f=-2.3) USER MOD Set 5.1: A 5 CYS SG : rot 138:sc= -1.21 USER MOD Set 5.2: A 7 HIS : no HD1:sc= 0.247 K(o=-1.1,f=-1.9) USER MOD Set 5.3: A 78 CYS SG : rot -122:sc= -0.114 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.02) USER MOD Single : A 33 HIS : no HE2:sc= 0.244 K(o=0.24,f=-7!) USER MOD Single : A 46 CYS SG : rot -60:sc= 0.866 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 90:sc= -1.38 USER MOD Single : A 59 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=-0.0066) USER MOD Single : A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 84 MET CE :methyl -158:sc= -0.124 (180deg=-1.19) USER MOD Single : A 88 SER OG : rot -2:sc= 0.742 USER MOD Single : A 91 MET CE :methyl -145:sc= -0.252 (180deg=-1.18) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.709 X(o=-0.71,f=-0.25) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N CYS A 5 0.386 -10.050 3.790 1.00 0.00 N ATOM 59 CA CYS A 5 0.219 -11.428 4.239 1.00 0.00 C ATOM 60 C CYS A 5 -0.985 -11.532 5.169 1.00 0.00 C ATOM 61 O CYS A 5 -1.604 -10.520 5.495 1.00 0.00 O ATOM 62 CB CYS A 5 1.482 -11.910 4.953 1.00 0.00 C ATOM 63 SG CYS A 5 1.979 -10.869 6.359 1.00 0.00 S ATOM 0 HA CYS A 5 0.048 -12.062 3.369 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.321 -12.928 5.307 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.301 -11.948 4.235 1.00 0.00 H new ATOM 0 HG CYS A 5 2.359 -11.625 7.346 1.00 0.00 H new ATOM 68 N ARG A 6 -1.305 -12.742 5.622 1.00 0.00 N ATOM 69 CA ARG A 6 -2.472 -12.947 6.479 1.00 0.00 C ATOM 70 C ARG A 6 -2.258 -12.333 7.861 1.00 0.00 C ATOM 71 O ARG A 6 -3.211 -12.096 8.600 1.00 0.00 O ATOM 72 CB ARG A 6 -2.805 -14.438 6.598 1.00 0.00 C ATOM 73 CG ARG A 6 -1.742 -15.267 7.305 1.00 0.00 C ATOM 74 CD ARG A 6 -2.077 -16.749 7.258 1.00 0.00 C ATOM 75 NE ARG A 6 -3.400 -17.023 7.817 1.00 0.00 N ATOM 76 CZ ARG A 6 -4.284 -17.859 7.272 1.00 0.00 C ATOM 77 NH1 ARG A 6 -3.971 -18.541 6.176 1.00 0.00 N ATOM 78 NH2 ARG A 6 -5.481 -18.009 7.827 1.00 0.00 N ATOM 0 H ARG A 6 -0.778 -13.590 5.413 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.318 -12.441 6.014 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.748 -14.545 7.134 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.959 -14.844 5.598 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.773 -15.096 6.836 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.656 -14.944 8.342 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.039 -17.098 6.226 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.325 -17.310 7.812 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.663 -16.544 8.678 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.052 -18.426 5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.650 -19.180 5.762 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.722 -17.485 8.668 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.159 -18.648 7.412 1.00 0.00 H new ATOM 92 N HIS A 7 -1.000 -12.057 8.195 1.00 0.00 N ATOM 93 CA HIS A 7 -0.664 -11.419 9.465 1.00 0.00 C ATOM 94 C HIS A 7 -1.242 -10.006 9.534 1.00 0.00 C ATOM 95 O HIS A 7 -1.513 -9.489 10.617 1.00 0.00 O ATOM 96 CB HIS A 7 0.855 -11.361 9.664 1.00 0.00 C ATOM 97 CG HIS A 7 1.517 -12.704 9.736 1.00 0.00 C ATOM 98 ND1 HIS A 7 2.752 -12.926 9.173 1.00 0.00 N ATOM 99 CD2 HIS A 7 1.084 -13.847 10.322 1.00 0.00 C ATOM 100 CE1 HIS A 7 3.037 -14.191 9.429 1.00 0.00 C ATOM 101 NE2 HIS A 7 2.056 -14.791 10.121 1.00 0.00 N ATOM 0 H HIS A 7 -0.196 -12.265 7.603 1.00 0.00 H new ATOM 0 HA HIS A 7 -1.102 -12.021 10.261 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.296 -10.794 8.844 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.069 -10.813 10.582 1.00 0.00 H new ATOM 0 HD2 HIS A 7 0.151 -13.987 10.847 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.948 -14.682 9.119 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.038 -15.761 10.436 1.00 0.00 H new ATOM 109 N VAL A 8 -1.438 -9.388 8.370 1.00 0.00 N ATOM 110 CA VAL A 8 -1.989 -8.035 8.303 1.00 0.00 C ATOM 111 C VAL A 8 -3.435 -8.047 8.752 1.00 0.00 C ATOM 112 O VAL A 8 -3.942 -7.073 9.304 1.00 0.00 O ATOM 113 CB VAL A 8 -1.926 -7.454 6.878 1.00 0.00 C ATOM 114 CG1 VAL A 8 -2.257 -5.968 6.877 1.00 0.00 C ATOM 115 CG2 VAL A 8 -0.571 -7.710 6.263 1.00 0.00 C ATOM 0 H VAL A 8 -1.224 -9.801 7.462 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.384 -7.409 8.959 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.677 -7.959 6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.205 -5.584 5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.263 -5.819 7.270 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.541 -5.435 7.502 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.544 -7.293 5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.200 -7.238 6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.390 -8.784 6.216 1.00 0.00 H new ATOM 125 N ALA A 9 -4.094 -9.167 8.517 1.00 0.00 N ATOM 126 CA ALA A 9 -5.484 -9.304 8.881 1.00 0.00 C ATOM 127 C ALA A 9 -5.626 -9.520 10.384 1.00 0.00 C ATOM 128 O ALA A 9 -6.714 -9.392 10.947 1.00 0.00 O ATOM 129 CB ALA A 9 -6.124 -10.447 8.110 1.00 0.00 C ATOM 0 H ALA A 9 -3.686 -9.991 8.076 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.002 -8.381 8.620 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.172 -10.537 8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.056 -10.248 7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.604 -11.377 8.340 1.00 0.00 H new ATOM 135 N GLY A 10 -4.511 -9.848 11.027 1.00 0.00 N ATOM 136 CA GLY A 10 -4.517 -10.100 12.451 1.00 0.00 C ATOM 137 C GLY A 10 -4.203 -8.862 13.265 1.00 0.00 C ATOM 138 O GLY A 10 -4.657 -8.733 14.404 1.00 0.00 O ATOM 0 H GLY A 10 -3.598 -9.944 10.581 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.494 -10.484 12.744 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.787 -10.876 12.682 1.00 0.00 H new ATOM 142 N ILE A 11 -3.435 -7.944 12.686 1.00 0.00 N ATOM 143 CA ILE A 11 -3.042 -6.731 13.393 1.00 0.00 C ATOM 144 C ILE A 11 -4.195 -5.735 13.457 1.00 0.00 C ATOM 145 O ILE A 11 -5.067 -5.711 12.587 1.00 0.00 O ATOM 146 CB ILE A 11 -1.816 -6.046 12.752 1.00 0.00 C ATOM 147 CG1 ILE A 11 -2.110 -5.650 11.303 1.00 0.00 C ATOM 148 CG2 ILE A 11 -0.602 -6.960 12.830 1.00 0.00 C ATOM 149 CD1 ILE A 11 -0.996 -4.871 10.640 1.00 0.00 C ATOM 0 H ILE A 11 -3.074 -8.016 11.735 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.770 -7.042 14.402 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.598 -5.135 13.309 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.304 -6.552 10.723 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.022 -5.053 11.278 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.256 -6.465 12.375 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.381 -7.182 13.874 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.810 -7.888 12.298 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.281 -4.628 9.616 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.816 -3.950 11.195 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.087 -5.472 10.631 1.00 0.00 H new ATOM 161 N ARG A 12 -4.196 -4.923 14.500 1.00 0.00 N ATOM 162 CA ARG A 12 -5.263 -3.960 14.719 1.00 0.00 C ATOM 163 C ARG A 12 -4.689 -2.596 15.083 1.00 0.00 C ATOM 164 O ARG A 12 -3.481 -2.369 14.966 1.00 0.00 O ATOM 165 CB ARG A 12 -6.214 -4.443 15.824 1.00 0.00 C ATOM 166 CG ARG A 12 -5.546 -4.720 17.164 1.00 0.00 C ATOM 167 CD ARG A 12 -4.894 -6.092 17.198 1.00 0.00 C ATOM 168 NE ARG A 12 -5.859 -7.155 16.926 1.00 0.00 N ATOM 169 CZ ARG A 12 -6.089 -8.177 17.744 1.00 0.00 C ATOM 170 NH1 ARG A 12 -5.415 -8.286 18.881 1.00 0.00 N ATOM 171 NH2 ARG A 12 -6.996 -9.086 17.425 1.00 0.00 N ATOM 0 H ARG A 12 -3.466 -4.911 15.212 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.827 -3.866 13.791 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.991 -3.692 15.969 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.709 -5.353 15.486 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.794 -3.956 17.360 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.287 -4.650 17.961 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.091 -6.132 16.462 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.439 -6.255 18.175 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.388 -7.110 16.055 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.718 -7.584 19.130 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.594 -9.072 19.507 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.517 -9.002 16.552 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.174 -9.871 18.052 1.00 0.00 H new ATOM 185 N THR A 13 -5.560 -1.686 15.498 1.00 0.00 N ATOM 186 CA THR A 13 -5.132 -0.398 16.013 1.00 0.00 C ATOM 187 C THR A 13 -4.632 -0.570 17.443 1.00 0.00 C ATOM 188 O THR A 13 -5.345 -1.107 18.294 1.00 0.00 O ATOM 189 CB THR A 13 -6.285 0.623 15.988 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.937 0.585 14.712 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.769 2.031 16.251 1.00 0.00 C ATOM 0 H THR A 13 -6.571 -1.820 15.487 1.00 0.00 H new ATOM 0 HA THR A 13 -4.331 -0.020 15.378 1.00 0.00 H new ATOM 0 HB THR A 13 -6.993 0.359 16.773 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.671 1.234 14.700 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.602 2.734 16.228 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.291 2.066 17.230 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.044 2.302 15.483 1.00 0.00 H new ATOM 199 N VAL A 14 -3.412 -0.134 17.702 1.00 0.00 N ATOM 200 CA VAL A 14 -2.784 -0.367 18.992 1.00 0.00 C ATOM 201 C VAL A 14 -2.399 0.939 19.674 1.00 0.00 C ATOM 202 O VAL A 14 -2.130 1.942 19.015 1.00 0.00 O ATOM 203 CB VAL A 14 -1.533 -1.259 18.849 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.932 -2.684 18.504 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.590 -0.701 17.791 1.00 0.00 C ATOM 0 H VAL A 14 -2.836 0.383 17.037 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.520 -0.879 19.612 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.009 -1.267 19.805 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.037 -3.299 18.407 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.565 -3.086 19.295 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.481 -2.690 17.562 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.285 -1.346 17.707 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.104 -0.660 16.831 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.275 0.303 18.077 1.00 0.00 H new ATOM 215 N THR A 15 -2.379 0.911 20.996 1.00 0.00 N ATOM 216 CA THR A 15 -2.015 2.070 21.787 1.00 0.00 C ATOM 217 C THR A 15 -0.523 2.046 22.117 1.00 0.00 C ATOM 218 O THR A 15 -0.008 1.046 22.623 1.00 0.00 O ATOM 219 CB THR A 15 -2.836 2.119 23.091 1.00 0.00 C ATOM 220 OG1 THR A 15 -4.231 2.246 22.783 1.00 0.00 O ATOM 221 CG2 THR A 15 -2.404 3.278 23.977 1.00 0.00 C ATOM 0 H THR A 15 -2.614 0.086 21.548 1.00 0.00 H new ATOM 0 HA THR A 15 -2.234 2.962 21.200 1.00 0.00 H new ATOM 0 HB THR A 15 -2.659 1.190 23.634 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.748 2.275 23.615 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.003 3.283 24.888 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.351 3.165 24.236 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.548 4.217 23.443 1.00 0.00 H new ATOM 229 N PRO A 16 0.190 3.139 21.807 1.00 0.00 N ATOM 230 CA PRO A 16 1.622 3.269 22.097 1.00 0.00 C ATOM 231 C PRO A 16 1.931 3.131 23.585 1.00 0.00 C ATOM 232 O PRO A 16 1.290 3.766 24.426 1.00 0.00 O ATOM 233 CB PRO A 16 1.964 4.681 21.615 1.00 0.00 C ATOM 234 CG PRO A 16 0.891 5.027 20.643 1.00 0.00 C ATOM 235 CD PRO A 16 -0.344 4.336 21.137 1.00 0.00 C ATOM 0 HA PRO A 16 2.202 2.485 21.610 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.987 5.387 22.445 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.947 4.710 21.145 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.742 6.106 20.592 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.151 4.693 19.638 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.910 4.964 21.825 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.015 4.075 20.318 1.00 0.00 H new ATOM 243 N SER A 17 2.910 2.293 23.898 1.00 0.00 N ATOM 244 CA SER A 17 3.312 2.056 25.279 1.00 0.00 C ATOM 245 C SER A 17 3.968 3.302 25.875 1.00 0.00 C ATOM 246 O SER A 17 3.754 3.632 27.045 1.00 0.00 O ATOM 247 CB SER A 17 4.273 0.861 25.345 1.00 0.00 C ATOM 248 OG SER A 17 4.463 0.419 26.681 1.00 0.00 O ATOM 0 H SER A 17 3.444 1.763 23.210 1.00 0.00 H new ATOM 0 HA SER A 17 2.422 1.829 25.866 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.879 0.042 24.742 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.234 1.141 24.913 1.00 0.00 H new ATOM 0 HG SER A 17 5.079 -0.344 26.689 1.00 0.00 H new ATOM 254 N ALA A 18 4.749 4.000 25.063 1.00 0.00 N ATOM 255 CA ALA A 18 5.430 5.207 25.504 1.00 0.00 C ATOM 256 C ALA A 18 5.523 6.209 24.364 1.00 0.00 C ATOM 257 O ALA A 18 5.162 5.893 23.229 1.00 0.00 O ATOM 258 CB ALA A 18 6.819 4.870 26.025 1.00 0.00 C ATOM 0 H ALA A 18 4.927 3.749 24.091 1.00 0.00 H new ATOM 0 HA ALA A 18 4.853 5.654 26.314 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.317 5.783 26.351 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.735 4.182 26.866 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.402 4.403 25.231 1.00 0.00 H new ATOM 264 N LEU A 19 5.996 7.413 24.671 1.00 0.00 N ATOM 265 CA LEU A 19 6.200 8.436 23.652 1.00 0.00 C ATOM 266 C LEU A 19 7.262 7.978 22.662 1.00 0.00 C ATOM 267 O LEU A 19 7.056 8.004 21.451 1.00 0.00 O ATOM 268 CB LEU A 19 6.633 9.760 24.291 1.00 0.00 C ATOM 269 CG LEU A 19 5.659 10.355 25.309 1.00 0.00 C ATOM 270 CD1 LEU A 19 6.226 11.636 25.899 1.00 0.00 C ATOM 271 CD2 LEU A 19 4.307 10.618 24.665 1.00 0.00 C ATOM 0 H LEU A 19 6.245 7.704 25.617 1.00 0.00 H new ATOM 0 HA LEU A 19 5.256 8.592 23.129 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.595 9.608 24.781 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.792 10.490 23.498 1.00 0.00 H new ATOM 0 HG LEU A 19 5.520 9.634 26.115 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.521 12.047 26.622 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.171 11.420 26.397 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.393 12.361 25.102 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.628 11.041 25.405 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.427 11.320 23.840 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.895 9.682 24.288 1.00 0.00 H new ATOM 283 N GLY A 20 8.394 7.547 23.196 1.00 0.00 N ATOM 284 CA GLY A 20 9.480 7.082 22.366 1.00 0.00 C ATOM 285 C GLY A 20 9.889 5.664 22.703 1.00 0.00 C ATOM 286 O GLY A 20 9.150 4.939 23.367 1.00 0.00 O ATOM 0 H GLY A 20 8.579 7.512 24.198 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.183 7.134 21.319 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.337 7.744 22.487 1.00 0.00 H new ATOM 290 N CYS A 21 11.070 5.272 22.246 1.00 0.00 N ATOM 291 CA CYS A 21 11.586 3.935 22.495 1.00 0.00 C ATOM 292 C CYS A 21 11.895 3.757 23.977 1.00 0.00 C ATOM 293 O CYS A 21 12.825 4.375 24.500 1.00 0.00 O ATOM 294 CB CYS A 21 12.848 3.702 21.658 1.00 0.00 C ATOM 295 SG CYS A 21 13.533 2.033 21.767 1.00 0.00 S ATOM 0 H CYS A 21 11.692 5.866 21.697 1.00 0.00 H new ATOM 0 HA CYS A 21 10.830 3.203 22.208 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.620 3.918 20.614 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.611 4.414 21.972 1.00 0.00 H new ATOM 0 HG CYS A 21 12.569 1.179 21.942 1.00 0.00 H new ATOM 301 N GLU A 22 11.123 2.901 24.642 1.00 0.00 N ATOM 302 CA GLU A 22 11.260 2.685 26.081 1.00 0.00 C ATOM 303 C GLU A 22 12.644 2.133 26.398 1.00 0.00 C ATOM 304 O GLU A 22 13.190 2.367 27.475 1.00 0.00 O ATOM 305 CB GLU A 22 10.190 1.714 26.600 1.00 0.00 C ATOM 306 CG GLU A 22 8.832 1.852 25.924 1.00 0.00 C ATOM 307 CD GLU A 22 8.739 1.036 24.650 1.00 0.00 C ATOM 308 OE1 GLU A 22 9.771 0.451 24.246 1.00 0.00 O ATOM 309 OE2 GLU A 22 7.637 0.951 24.063 1.00 0.00 O ATOM 0 H GLU A 22 10.391 2.342 24.204 1.00 0.00 H new ATOM 0 HA GLU A 22 11.126 3.646 26.578 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.547 0.693 26.465 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.066 1.869 27.672 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.051 1.534 26.614 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.647 2.902 25.695 1.00 0.00 H new ATOM 316 N GLU A 23 13.198 1.402 25.436 1.00 0.00 N ATOM 317 CA GLU A 23 14.551 0.868 25.538 1.00 0.00 C ATOM 318 C GLU A 23 15.540 2.002 25.792 1.00 0.00 C ATOM 319 O GLU A 23 16.307 1.977 26.746 1.00 0.00 O ATOM 320 CB GLU A 23 14.911 0.145 24.239 1.00 0.00 C ATOM 321 CG GLU A 23 16.156 -0.716 24.328 1.00 0.00 C ATOM 322 CD GLU A 23 16.025 -1.822 25.351 1.00 0.00 C ATOM 323 OE1 GLU A 23 15.201 -2.733 25.140 1.00 0.00 O ATOM 324 OE2 GLU A 23 16.750 -1.785 26.364 1.00 0.00 O ATOM 0 H GLU A 23 12.723 1.164 24.566 1.00 0.00 H new ATOM 0 HA GLU A 23 14.600 0.165 26.369 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.071 -0.482 23.941 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.051 0.886 23.452 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.362 -1.152 23.351 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.010 -0.089 24.584 1.00 0.00 H new ATOM 331 N CYS A 24 15.492 3.011 24.936 1.00 0.00 N ATOM 332 CA CYS A 24 16.350 4.173 25.076 1.00 0.00 C ATOM 333 C CYS A 24 15.987 4.959 26.333 1.00 0.00 C ATOM 334 O CYS A 24 16.861 5.481 27.025 1.00 0.00 O ATOM 335 CB CYS A 24 16.219 5.062 23.842 1.00 0.00 C ATOM 336 SG CYS A 24 16.638 4.239 22.288 1.00 0.00 S ATOM 0 H CYS A 24 14.864 3.046 24.133 1.00 0.00 H new ATOM 0 HA CYS A 24 17.383 3.838 25.168 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.195 5.430 23.780 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.864 5.932 23.965 1.00 0.00 H new ATOM 0 HG CYS A 24 17.402 5.015 21.578 1.00 0.00 H new ATOM 342 N LEU A 25 14.696 5.009 26.640 1.00 0.00 N ATOM 343 CA LEU A 25 14.200 5.759 27.790 1.00 0.00 C ATOM 344 C LEU A 25 14.658 5.145 29.113 1.00 0.00 C ATOM 345 O LEU A 25 14.583 5.793 30.159 1.00 0.00 O ATOM 346 CB LEU A 25 12.671 5.841 27.758 1.00 0.00 C ATOM 347 CG LEU A 25 12.081 6.590 26.560 1.00 0.00 C ATOM 348 CD1 LEU A 25 10.562 6.581 26.621 1.00 0.00 C ATOM 349 CD2 LEU A 25 12.602 8.018 26.512 1.00 0.00 C ATOM 0 H LEU A 25 13.968 4.536 26.105 1.00 0.00 H new ATOM 0 HA LEU A 25 14.618 6.763 27.724 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.269 4.828 27.766 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.330 6.326 28.673 1.00 0.00 H new ATOM 0 HG LEU A 25 12.393 6.079 25.649 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.160 7.118 25.762 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.203 5.552 26.606 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.232 7.067 27.539 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.171 8.534 25.654 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.321 8.539 27.427 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.688 8.006 26.421 1.00 0.00 H new ATOM 361 N LYS A 26 15.132 3.901 29.072 1.00 0.00 N ATOM 362 CA LYS A 26 15.595 3.225 30.281 1.00 0.00 C ATOM 363 C LYS A 26 16.866 3.894 30.805 1.00 0.00 C ATOM 364 O LYS A 26 17.165 3.842 31.998 1.00 0.00 O ATOM 365 CB LYS A 26 15.841 1.731 30.001 1.00 0.00 C ATOM 366 CG LYS A 26 17.280 1.386 29.629 1.00 0.00 C ATOM 367 CD LYS A 26 17.388 0.045 28.913 1.00 0.00 C ATOM 368 CE LYS A 26 16.736 -1.085 29.693 1.00 0.00 C ATOM 369 NZ LYS A 26 16.819 -2.378 28.961 1.00 0.00 N ATOM 0 H LYS A 26 15.205 3.344 28.220 1.00 0.00 H new ATOM 0 HA LYS A 26 14.822 3.305 31.046 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.560 1.158 30.884 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.184 1.413 29.192 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.685 2.170 28.990 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.891 1.363 30.532 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.920 0.122 27.932 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.439 -0.191 28.747 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.221 -1.185 30.664 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.691 -0.841 29.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.236 -3.090 29.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.472 -2.250 27.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.808 -2.700 28.936 1.00 0.00 H new ATOM 383 N ILE A 27 17.604 4.536 29.904 1.00 0.00 N ATOM 384 CA ILE A 27 18.847 5.204 30.270 1.00 0.00 C ATOM 385 C ILE A 27 18.833 6.680 29.870 1.00 0.00 C ATOM 386 O ILE A 27 19.694 7.453 30.293 1.00 0.00 O ATOM 387 CB ILE A 27 20.068 4.513 29.625 1.00 0.00 C ATOM 388 CG1 ILE A 27 19.856 4.345 28.116 1.00 0.00 C ATOM 389 CG2 ILE A 27 20.330 3.168 30.288 1.00 0.00 C ATOM 390 CD1 ILE A 27 21.016 3.680 27.408 1.00 0.00 C ATOM 0 H ILE A 27 17.362 4.607 28.916 1.00 0.00 H new ATOM 0 HA ILE A 27 18.930 5.135 31.355 1.00 0.00 H new ATOM 0 HB ILE A 27 20.944 5.144 29.777 1.00 0.00 H new ATOM 0 HG12 ILE A 27 18.954 3.756 27.948 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.684 5.325 27.671 1.00 0.00 H new ATOM 0 HG21 ILE A 27 21.194 2.694 29.821 1.00 0.00 H new ATOM 0 HG22 ILE A 27 20.528 3.318 31.349 1.00 0.00 H new ATOM 0 HG23 ILE A 27 19.456 2.527 30.169 1.00 0.00 H new ATOM 0 HD11 ILE A 27 20.793 3.596 26.344 1.00 0.00 H new ATOM 0 HD12 ILE A 27 21.917 4.279 27.544 1.00 0.00 H new ATOM 0 HD13 ILE A 27 21.175 2.686 27.825 1.00 0.00 H new ATOM 402 N GLY A 28 17.849 7.067 29.067 1.00 0.00 N ATOM 403 CA GLY A 28 17.778 8.435 28.581 1.00 0.00 C ATOM 404 C GLY A 28 18.536 8.611 27.280 1.00 0.00 C ATOM 405 O GLY A 28 19.002 9.705 26.959 1.00 0.00 O ATOM 0 H GLY A 28 17.098 6.458 28.743 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.735 8.715 28.434 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.186 9.110 29.334 1.00 0.00 H new ATOM 409 N SER A 29 18.648 7.527 26.531 1.00 0.00 N ATOM 410 CA SER A 29 19.403 7.512 25.289 1.00 0.00 C ATOM 411 C SER A 29 18.539 8.013 24.130 1.00 0.00 C ATOM 412 O SER A 29 17.312 7.890 24.165 1.00 0.00 O ATOM 413 CB SER A 29 19.889 6.083 25.016 1.00 0.00 C ATOM 414 OG SER A 29 20.814 6.029 23.945 1.00 0.00 O ATOM 0 H SER A 29 18.218 6.632 26.767 1.00 0.00 H new ATOM 0 HA SER A 29 20.262 8.177 25.380 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.354 5.681 25.916 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.034 5.447 24.788 1.00 0.00 H new ATOM 0 HG SER A 29 20.762 5.152 23.512 1.00 0.00 H new ATOM 420 N PRO A 30 19.163 8.621 23.110 1.00 0.00 N ATOM 421 CA PRO A 30 18.475 9.036 21.888 1.00 0.00 C ATOM 422 C PRO A 30 18.121 7.853 20.985 1.00 0.00 C ATOM 423 O PRO A 30 18.285 6.687 21.361 1.00 0.00 O ATOM 424 CB PRO A 30 19.492 9.949 21.182 1.00 0.00 C ATOM 425 CG PRO A 30 20.576 10.189 22.178 1.00 0.00 C ATOM 426 CD PRO A 30 20.580 8.991 23.075 1.00 0.00 C ATOM 0 HA PRO A 30 17.527 9.524 22.113 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.885 9.476 20.282 1.00 0.00 H new ATOM 0 HB3 PRO A 30 19.029 10.886 20.873 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.540 10.311 21.684 1.00 0.00 H new ATOM 0 HG3 PRO A 30 20.391 11.101 22.745 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.200 8.188 22.677 1.00 0.00 H new ATOM 0 HD3 PRO A 30 20.963 9.228 24.068 1.00 0.00 H new ATOM 434 N TRP A 31 17.637 8.166 19.793 1.00 0.00 N ATOM 435 CA TRP A 31 17.267 7.155 18.817 1.00 0.00 C ATOM 436 C TRP A 31 17.295 7.761 17.420 1.00 0.00 C ATOM 437 O TRP A 31 17.610 8.943 17.264 1.00 0.00 O ATOM 438 CB TRP A 31 15.877 6.581 19.129 1.00 0.00 C ATOM 439 CG TRP A 31 14.787 7.611 19.228 1.00 0.00 C ATOM 440 CD1 TRP A 31 14.160 8.252 18.195 1.00 0.00 C ATOM 441 CD2 TRP A 31 14.181 8.103 20.430 1.00 0.00 C ATOM 442 NE1 TRP A 31 13.212 9.118 18.682 1.00 0.00 N ATOM 443 CE2 TRP A 31 13.205 9.044 20.051 1.00 0.00 C ATOM 444 CE3 TRP A 31 14.372 7.842 21.790 1.00 0.00 C ATOM 445 CZ2 TRP A 31 12.424 9.722 20.983 1.00 0.00 C ATOM 446 CZ3 TRP A 31 13.596 8.515 22.714 1.00 0.00 C ATOM 447 CH2 TRP A 31 12.632 9.445 22.307 1.00 0.00 C ATOM 0 H TRP A 31 17.490 9.125 19.477 1.00 0.00 H new ATOM 0 HA TRP A 31 17.985 6.337 18.865 1.00 0.00 H new ATOM 0 HB2 TRP A 31 15.612 5.863 18.353 1.00 0.00 H new ATOM 0 HB3 TRP A 31 15.927 6.031 20.069 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.379 8.099 17.148 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.611 9.718 18.117 1.00 0.00 H new ATOM 0 HE3 TRP A 31 15.114 7.126 22.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 11.680 10.441 20.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 13.735 8.320 23.767 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.040 9.954 23.053 1.00 0.00 H new ATOM 458 N VAL A 32 16.981 6.958 16.413 1.00 0.00 N ATOM 459 CA VAL A 32 16.902 7.456 15.047 1.00 0.00 C ATOM 460 C VAL A 32 15.442 7.558 14.613 1.00 0.00 C ATOM 461 O VAL A 32 14.889 8.654 14.538 1.00 0.00 O ATOM 462 CB VAL A 32 17.685 6.563 14.060 1.00 0.00 C ATOM 463 CG1 VAL A 32 17.627 7.131 12.650 1.00 0.00 C ATOM 464 CG2 VAL A 32 19.130 6.412 14.508 1.00 0.00 C ATOM 0 H VAL A 32 16.778 5.964 16.515 1.00 0.00 H new ATOM 0 HA VAL A 32 17.360 8.445 15.030 1.00 0.00 H new ATOM 0 HB VAL A 32 17.217 5.579 14.052 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.186 6.484 11.974 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.589 7.187 12.323 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.065 8.129 12.642 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.666 5.780 13.800 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.603 7.393 14.548 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.158 5.955 15.497 1.00 0.00 H new ATOM 474 N HIS A 33 14.813 6.417 14.341 1.00 0.00 N ATOM 475 CA HIS A 33 13.399 6.398 13.978 1.00 0.00 C ATOM 476 C HIS A 33 12.677 5.236 14.651 1.00 0.00 C ATOM 477 O HIS A 33 13.122 4.086 14.601 1.00 0.00 O ATOM 478 CB HIS A 33 13.210 6.333 12.459 1.00 0.00 C ATOM 479 CG HIS A 33 13.614 7.590 11.747 1.00 0.00 C ATOM 480 ND1 HIS A 33 13.050 8.822 12.012 1.00 0.00 N ATOM 481 CD2 HIS A 33 14.539 7.803 10.783 1.00 0.00 C ATOM 482 CE1 HIS A 33 13.610 9.734 11.242 1.00 0.00 C ATOM 483 NE2 HIS A 33 14.516 9.143 10.488 1.00 0.00 N ATOM 0 H HIS A 33 15.257 5.499 14.365 1.00 0.00 H new ATOM 0 HA HIS A 33 12.961 7.331 14.333 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.792 5.500 12.065 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.163 6.123 12.241 1.00 0.00 H new ATOM 0 HD1 HIS A 33 12.315 8.999 12.697 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.176 7.058 10.330 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.368 10.786 11.231 1.00 0.00 H new ATOM 492 N LEU A 34 11.562 5.559 15.285 1.00 0.00 N ATOM 493 CA LEU A 34 10.782 4.594 16.046 1.00 0.00 C ATOM 494 C LEU A 34 9.795 3.835 15.167 1.00 0.00 C ATOM 495 O LEU A 34 9.135 4.413 14.300 1.00 0.00 O ATOM 496 CB LEU A 34 10.014 5.316 17.149 1.00 0.00 C ATOM 497 CG LEU A 34 10.866 6.201 18.051 1.00 0.00 C ATOM 498 CD1 LEU A 34 9.987 6.970 19.018 1.00 0.00 C ATOM 499 CD2 LEU A 34 11.883 5.363 18.804 1.00 0.00 C ATOM 0 H LEU A 34 11.170 6.501 15.287 1.00 0.00 H new ATOM 0 HA LEU A 34 11.478 3.872 16.472 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.239 5.930 16.690 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.509 4.573 17.766 1.00 0.00 H new ATOM 0 HG LEU A 34 11.403 6.918 17.430 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.610 7.598 19.656 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.293 7.597 18.459 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.426 6.269 19.636 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.484 6.009 19.444 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.365 4.626 19.417 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.532 4.852 18.093 1.00 0.00 H new ATOM 511 N ARG A 35 9.703 2.539 15.411 1.00 0.00 N ATOM 512 CA ARG A 35 8.727 1.681 14.757 1.00 0.00 C ATOM 513 C ARG A 35 7.718 1.196 15.795 1.00 0.00 C ATOM 514 O ARG A 35 8.106 0.722 16.864 1.00 0.00 O ATOM 515 CB ARG A 35 9.428 0.474 14.120 1.00 0.00 C ATOM 516 CG ARG A 35 10.500 0.839 13.102 1.00 0.00 C ATOM 517 CD ARG A 35 9.889 1.369 11.817 1.00 0.00 C ATOM 518 NE ARG A 35 10.906 1.811 10.858 1.00 0.00 N ATOM 519 CZ ARG A 35 11.474 1.016 9.946 1.00 0.00 C ATOM 520 NH1 ARG A 35 11.143 -0.270 9.877 1.00 0.00 N ATOM 521 NH2 ARG A 35 12.372 1.510 9.102 1.00 0.00 N ATOM 0 H ARG A 35 10.306 2.049 16.072 1.00 0.00 H new ATOM 0 HA ARG A 35 8.216 2.244 13.976 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.882 -0.126 14.909 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.679 -0.152 13.634 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.166 1.590 13.527 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.108 -0.038 12.882 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.276 0.591 11.361 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.226 2.202 12.049 1.00 0.00 H new ATOM 0 HE ARG A 35 11.199 2.788 10.889 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.453 -0.654 10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.580 -0.872 9.179 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.628 2.496 9.150 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.806 0.903 8.406 1.00 0.00 H new ATOM 535 N ILE A 36 6.434 1.318 15.500 1.00 0.00 N ATOM 536 CA ILE A 36 5.410 0.877 16.438 1.00 0.00 C ATOM 537 C ILE A 36 4.917 -0.514 16.075 1.00 0.00 C ATOM 538 O ILE A 36 4.550 -0.795 14.937 1.00 0.00 O ATOM 539 CB ILE A 36 4.224 1.868 16.534 1.00 0.00 C ATOM 540 CG1 ILE A 36 3.223 1.391 17.593 1.00 0.00 C ATOM 541 CG2 ILE A 36 3.541 2.044 15.183 1.00 0.00 C ATOM 542 CD1 ILE A 36 2.145 2.402 17.914 1.00 0.00 C ATOM 0 H ILE A 36 6.077 1.713 14.630 1.00 0.00 H new ATOM 0 HA ILE A 36 5.875 0.844 17.423 1.00 0.00 H new ATOM 0 HB ILE A 36 4.614 2.841 16.834 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.753 0.471 17.247 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.764 1.148 18.508 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.713 2.745 15.283 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.259 2.431 14.460 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.162 1.082 14.839 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.476 1.992 18.671 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.604 3.316 18.292 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.577 2.628 17.011 1.00 0.00 H new ATOM 554 N CYS A 37 4.953 -1.390 17.053 1.00 0.00 N ATOM 555 CA CYS A 37 4.539 -2.767 16.873 1.00 0.00 C ATOM 556 C CYS A 37 3.019 -2.865 16.800 1.00 0.00 C ATOM 557 O CYS A 37 2.331 -2.629 17.793 1.00 0.00 O ATOM 558 CB CYS A 37 5.070 -3.581 18.038 1.00 0.00 C ATOM 559 SG CYS A 37 4.623 -5.333 18.028 1.00 0.00 S ATOM 0 H CYS A 37 5.270 -1.170 17.997 1.00 0.00 H new ATOM 0 HA CYS A 37 4.940 -3.155 15.936 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.157 -3.501 18.050 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.708 -3.136 18.965 1.00 0.00 H new ATOM 0 HG CYS A 37 5.281 -5.954 18.962 1.00 0.00 H new ATOM 564 N ARG A 38 2.503 -3.244 15.636 1.00 0.00 N ATOM 565 CA ARG A 38 1.058 -3.259 15.393 1.00 0.00 C ATOM 566 C ARG A 38 0.359 -4.394 16.137 1.00 0.00 C ATOM 567 O ARG A 38 -0.857 -4.548 16.039 1.00 0.00 O ATOM 568 CB ARG A 38 0.767 -3.394 13.897 1.00 0.00 C ATOM 569 CG ARG A 38 1.239 -2.218 13.058 1.00 0.00 C ATOM 570 CD ARG A 38 0.558 -0.921 13.468 1.00 0.00 C ATOM 571 NE ARG A 38 -0.898 -1.045 13.494 1.00 0.00 N ATOM 572 CZ ARG A 38 -1.725 -0.198 12.887 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.244 0.817 12.175 1.00 0.00 N ATOM 574 NH2 ARG A 38 -3.037 -0.370 12.995 1.00 0.00 N ATOM 0 H ARG A 38 3.064 -3.547 14.840 1.00 0.00 H new ATOM 0 HA ARG A 38 0.668 -2.312 15.767 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.242 -4.303 13.527 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.307 -3.517 13.758 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.319 -2.109 13.160 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.036 -2.418 12.006 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.913 -0.623 14.454 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.841 -0.129 12.774 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.304 -1.827 14.008 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.236 0.949 12.092 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.883 1.463 11.712 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.406 -1.148 13.541 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.676 0.276 12.532 1.00 0.00 H new ATOM 588 N THR A 39 1.119 -5.189 16.871 1.00 0.00 N ATOM 589 CA THR A 39 0.550 -6.331 17.561 1.00 0.00 C ATOM 590 C THR A 39 0.233 -6.010 19.022 1.00 0.00 C ATOM 591 O THR A 39 -0.697 -6.568 19.597 1.00 0.00 O ATOM 592 CB THR A 39 1.504 -7.534 17.508 1.00 0.00 C ATOM 593 OG1 THR A 39 2.178 -7.562 16.242 1.00 0.00 O ATOM 594 CG2 THR A 39 0.743 -8.834 17.718 1.00 0.00 C ATOM 0 H THR A 39 2.123 -5.066 17.003 1.00 0.00 H new ATOM 0 HA THR A 39 -0.379 -6.578 17.048 1.00 0.00 H new ATOM 0 HB THR A 39 2.238 -7.431 18.308 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.662 -8.409 16.148 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.438 -9.673 17.677 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.253 -8.816 18.692 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.008 -8.946 16.936 1.00 0.00 H new ATOM 602 N CYS A 40 0.996 -5.103 19.623 1.00 0.00 N ATOM 603 CA CYS A 40 0.836 -4.833 21.052 1.00 0.00 C ATOM 604 C CYS A 40 1.071 -3.357 21.388 1.00 0.00 C ATOM 605 O CYS A 40 1.029 -2.965 22.552 1.00 0.00 O ATOM 606 CB CYS A 40 1.793 -5.723 21.854 1.00 0.00 C ATOM 607 SG CYS A 40 3.538 -5.241 21.716 1.00 0.00 S ATOM 0 H CYS A 40 1.717 -4.552 19.158 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.194 -5.064 21.324 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.502 -5.699 22.904 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.683 -6.754 21.517 1.00 0.00 H new ATOM 0 HG CYS A 40 3.900 -5.275 20.468 1.00 0.00 H new ATOM 612 N GLY A 41 1.325 -2.539 20.368 1.00 0.00 N ATOM 613 CA GLY A 41 1.498 -1.110 20.580 1.00 0.00 C ATOM 614 C GLY A 41 2.796 -0.752 21.278 1.00 0.00 C ATOM 615 O GLY A 41 2.920 0.330 21.845 1.00 0.00 O ATOM 0 H GLY A 41 1.414 -2.841 19.398 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.461 -0.601 19.617 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.662 -0.735 21.171 1.00 0.00 H new ATOM 619 N HIS A 42 3.776 -1.642 21.233 1.00 0.00 N ATOM 620 CA HIS A 42 5.044 -1.373 21.894 1.00 0.00 C ATOM 621 C HIS A 42 5.980 -0.667 20.923 1.00 0.00 C ATOM 622 O HIS A 42 6.048 -1.033 19.745 1.00 0.00 O ATOM 623 CB HIS A 42 5.675 -2.670 22.414 1.00 0.00 C ATOM 624 CG HIS A 42 6.743 -2.446 23.442 1.00 0.00 C ATOM 625 ND1 HIS A 42 6.513 -2.530 24.794 1.00 0.00 N ATOM 626 CD2 HIS A 42 8.050 -2.129 23.307 1.00 0.00 C ATOM 627 CE1 HIS A 42 7.629 -2.271 25.445 1.00 0.00 C ATOM 628 NE2 HIS A 42 8.584 -2.021 24.567 1.00 0.00 N ATOM 0 H HIS A 42 3.721 -2.541 20.755 1.00 0.00 H new ATOM 0 HA HIS A 42 4.867 -0.726 22.753 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.894 -3.298 22.844 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.100 -3.220 21.574 1.00 0.00 H new ATOM 0 HD1 HIS A 42 5.618 -2.757 25.226 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.579 -1.986 22.376 1.00 0.00 H new ATOM 0 HE1 HIS A 42 7.744 -2.264 26.519 1.00 0.00 H new ATOM 637 N VAL A 43 6.690 0.339 21.411 1.00 0.00 N ATOM 638 CA VAL A 43 7.536 1.158 20.558 1.00 0.00 C ATOM 639 C VAL A 43 8.950 0.589 20.488 1.00 0.00 C ATOM 640 O VAL A 43 9.563 0.273 21.505 1.00 0.00 O ATOM 641 CB VAL A 43 7.590 2.616 21.065 1.00 0.00 C ATOM 642 CG1 VAL A 43 8.401 3.489 20.120 1.00 0.00 C ATOM 643 CG2 VAL A 43 6.185 3.179 21.239 1.00 0.00 C ATOM 0 H VAL A 43 6.697 0.608 22.395 1.00 0.00 H new ATOM 0 HA VAL A 43 7.099 1.149 19.559 1.00 0.00 H new ATOM 0 HB VAL A 43 8.083 2.616 22.037 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.424 4.511 20.499 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.418 3.104 20.052 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.942 3.479 19.131 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.247 4.207 21.597 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.664 3.159 20.282 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.638 2.575 21.963 1.00 0.00 H new ATOM 653 N GLY A 44 9.459 0.434 19.284 1.00 0.00 N ATOM 654 CA GLY A 44 10.803 -0.065 19.119 1.00 0.00 C ATOM 655 C GLY A 44 11.551 0.679 18.044 1.00 0.00 C ATOM 656 O GLY A 44 11.083 0.774 16.915 1.00 0.00 O ATOM 0 H GLY A 44 8.967 0.644 18.416 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.341 0.023 20.063 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.768 -1.125 18.869 1.00 0.00 H new ATOM 660 N CYS A 45 12.709 1.219 18.383 1.00 0.00 N ATOM 661 CA CYS A 45 13.517 1.913 17.399 1.00 0.00 C ATOM 662 C CYS A 45 14.124 0.889 16.451 1.00 0.00 C ATOM 663 O CYS A 45 14.495 -0.209 16.878 1.00 0.00 O ATOM 664 CB CYS A 45 14.608 2.739 18.080 1.00 0.00 C ATOM 665 SG CYS A 45 15.275 4.062 17.047 1.00 0.00 S ATOM 0 H CYS A 45 13.106 1.191 19.322 1.00 0.00 H new ATOM 0 HA CYS A 45 12.890 2.603 16.834 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.204 3.174 18.994 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.421 2.076 18.375 1.00 0.00 H new ATOM 0 HG CYS A 45 14.600 4.129 15.938 1.00 0.00 H new ATOM 671 N CYS A 46 14.205 1.244 15.174 1.00 0.00 N ATOM 672 CA CYS A 46 14.593 0.303 14.127 1.00 0.00 C ATOM 673 C CYS A 46 16.000 -0.251 14.355 1.00 0.00 C ATOM 674 O CYS A 46 16.782 0.293 15.141 1.00 0.00 O ATOM 675 CB CYS A 46 14.509 0.981 12.754 1.00 0.00 C ATOM 676 SG CYS A 46 14.398 -0.163 11.352 1.00 0.00 S ATOM 0 H CYS A 46 14.005 2.185 14.835 1.00 0.00 H new ATOM 0 HA CYS A 46 13.898 -0.536 14.161 1.00 0.00 H new ATOM 0 HB2 CYS A 46 13.639 1.637 12.740 1.00 0.00 H new ATOM 0 HB3 CYS A 46 15.387 1.613 12.621 1.00 0.00 H new ATOM 0 HG CYS A 46 15.447 -0.930 11.334 1.00 0.00 H new ATOM 682 N ASP A 47 16.307 -1.331 13.643 1.00 0.00 N ATOM 683 CA ASP A 47 17.607 -1.998 13.721 1.00 0.00 C ATOM 684 C ASP A 47 18.729 -1.087 13.233 1.00 0.00 C ATOM 685 O ASP A 47 19.910 -1.371 13.436 1.00 0.00 O ATOM 686 CB ASP A 47 17.586 -3.274 12.879 1.00 0.00 C ATOM 687 CG ASP A 47 17.393 -2.989 11.402 1.00 0.00 C ATOM 688 OD1 ASP A 47 16.332 -2.439 11.033 1.00 0.00 O ATOM 689 OD2 ASP A 47 18.308 -3.298 10.609 1.00 0.00 O ATOM 0 H ASP A 47 15.658 -1.772 12.991 1.00 0.00 H new ATOM 0 HA ASP A 47 17.795 -2.245 14.766 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.521 -3.816 13.023 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.784 -3.924 13.229 1.00 0.00 H new ATOM 694 N ASP A 48 18.344 -0.005 12.573 1.00 0.00 N ATOM 695 CA ASP A 48 19.288 1.008 12.126 1.00 0.00 C ATOM 696 C ASP A 48 19.959 1.679 13.324 1.00 0.00 C ATOM 697 O ASP A 48 21.126 2.073 13.267 1.00 0.00 O ATOM 698 CB ASP A 48 18.557 2.038 11.264 1.00 0.00 C ATOM 699 CG ASP A 48 19.394 3.261 10.965 1.00 0.00 C ATOM 700 OD1 ASP A 48 20.360 3.150 10.185 1.00 0.00 O ATOM 701 OD2 ASP A 48 19.083 4.340 11.513 1.00 0.00 O ATOM 0 H ASP A 48 17.373 0.195 12.333 1.00 0.00 H new ATOM 0 HA ASP A 48 20.068 0.536 11.528 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.258 1.571 10.325 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.643 2.346 11.772 1.00 0.00 H new ATOM 706 N SER A 49 19.217 1.781 14.417 1.00 0.00 N ATOM 707 CA SER A 49 19.747 2.324 15.655 1.00 0.00 C ATOM 708 C SER A 49 20.434 1.215 16.446 1.00 0.00 C ATOM 709 O SER A 49 19.957 0.084 16.450 1.00 0.00 O ATOM 710 CB SER A 49 18.613 2.925 16.480 1.00 0.00 C ATOM 711 OG SER A 49 17.790 3.756 15.682 1.00 0.00 O ATOM 0 H SER A 49 18.240 1.492 14.469 1.00 0.00 H new ATOM 0 HA SER A 49 20.473 3.104 15.427 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.014 2.126 16.918 1.00 0.00 H new ATOM 0 HB3 SER A 49 19.027 3.503 17.307 1.00 0.00 H new ATOM 0 HG SER A 49 16.864 3.699 15.998 1.00 0.00 H new ATOM 717 N PRO A 50 21.544 1.523 17.139 1.00 0.00 N ATOM 718 CA PRO A 50 22.333 0.524 17.882 1.00 0.00 C ATOM 719 C PRO A 50 21.492 -0.303 18.857 1.00 0.00 C ATOM 720 O PRO A 50 21.765 -1.482 19.081 1.00 0.00 O ATOM 721 CB PRO A 50 23.364 1.365 18.648 1.00 0.00 C ATOM 722 CG PRO A 50 22.892 2.777 18.544 1.00 0.00 C ATOM 723 CD PRO A 50 22.132 2.864 17.255 1.00 0.00 C ATOM 0 HA PRO A 50 22.775 -0.208 17.206 1.00 0.00 H new ATOM 0 HB2 PRO A 50 23.430 1.050 19.689 1.00 0.00 H new ATOM 0 HB3 PRO A 50 24.359 1.252 18.217 1.00 0.00 H new ATOM 0 HG2 PRO A 50 22.257 3.040 19.390 1.00 0.00 H new ATOM 0 HG3 PRO A 50 23.733 3.471 18.549 1.00 0.00 H new ATOM 0 HD2 PRO A 50 21.368 3.640 17.287 1.00 0.00 H new ATOM 0 HD3 PRO A 50 22.786 3.094 16.414 1.00 0.00 H new ATOM 731 N HIS A 51 20.461 0.319 19.424 1.00 0.00 N ATOM 732 CA HIS A 51 19.585 -0.362 20.375 1.00 0.00 C ATOM 733 C HIS A 51 18.814 -1.502 19.703 1.00 0.00 C ATOM 734 O HIS A 51 18.575 -2.536 20.324 1.00 0.00 O ATOM 735 CB HIS A 51 18.600 0.621 21.018 1.00 0.00 C ATOM 736 CG HIS A 51 19.221 1.565 22.008 1.00 0.00 C ATOM 737 ND1 HIS A 51 19.164 1.371 23.372 1.00 0.00 N ATOM 738 CD2 HIS A 51 19.874 2.739 21.829 1.00 0.00 C ATOM 739 CE1 HIS A 51 19.743 2.384 23.984 1.00 0.00 C ATOM 740 NE2 HIS A 51 20.187 3.228 23.072 1.00 0.00 N ATOM 0 H HIS A 51 20.212 1.291 19.242 1.00 0.00 H new ATOM 0 HA HIS A 51 20.220 -0.784 21.154 1.00 0.00 H new ATOM 0 HB2 HIS A 51 18.121 1.203 20.231 1.00 0.00 H new ATOM 0 HB3 HIS A 51 17.815 0.054 21.518 1.00 0.00 H new ATOM 0 HD1 HIS A 51 18.739 0.568 23.835 1.00 0.00 H new ATOM 0 HD2 HIS A 51 20.105 3.204 20.882 1.00 0.00 H new ATOM 0 HE1 HIS A 51 19.838 2.504 25.053 1.00 0.00 H new ATOM 749 N LYS A 52 18.437 -1.296 18.433 1.00 0.00 N ATOM 750 CA LYS A 52 17.704 -2.297 17.645 1.00 0.00 C ATOM 751 C LYS A 52 16.522 -2.872 18.421 1.00 0.00 C ATOM 752 O LYS A 52 16.381 -4.086 18.550 1.00 0.00 O ATOM 753 CB LYS A 52 18.648 -3.423 17.212 1.00 0.00 C ATOM 754 CG LYS A 52 19.803 -2.944 16.350 1.00 0.00 C ATOM 755 CD LYS A 52 20.791 -4.056 16.045 1.00 0.00 C ATOM 756 CE LYS A 52 21.503 -4.531 17.299 1.00 0.00 C ATOM 757 NZ LYS A 52 22.621 -5.454 16.978 1.00 0.00 N ATOM 0 H LYS A 52 18.631 -0.433 17.924 1.00 0.00 H new ATOM 0 HA LYS A 52 17.309 -1.797 16.761 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.046 -3.915 18.100 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.079 -4.172 16.661 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.414 -2.540 15.416 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.320 -2.130 16.858 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.266 -4.893 15.585 1.00 0.00 H new ATOM 0 HD3 LYS A 52 21.525 -3.703 15.321 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.887 -3.671 17.848 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.791 -5.035 17.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.084 -5.758 17.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.251 -6.286 16.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.312 -4.965 16.374 1.00 0.00 H new ATOM 771 N HIS A 53 15.655 -2.005 18.921 1.00 0.00 N ATOM 772 CA HIS A 53 14.575 -2.458 19.783 1.00 0.00 C ATOM 773 C HIS A 53 13.439 -3.061 18.966 1.00 0.00 C ATOM 774 O HIS A 53 12.682 -3.880 19.474 1.00 0.00 O ATOM 775 CB HIS A 53 14.047 -1.322 20.661 1.00 0.00 C ATOM 776 CG HIS A 53 13.248 -1.814 21.830 1.00 0.00 C ATOM 777 ND1 HIS A 53 12.119 -1.180 22.312 1.00 0.00 N ATOM 778 CD2 HIS A 53 13.444 -2.886 22.633 1.00 0.00 C ATOM 779 CE1 HIS A 53 11.664 -1.844 23.359 1.00 0.00 C ATOM 780 NE2 HIS A 53 12.449 -2.881 23.573 1.00 0.00 N ATOM 0 H HIS A 53 15.676 -1.000 18.749 1.00 0.00 H new ATOM 0 HA HIS A 53 14.983 -3.231 20.434 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.887 -0.730 21.024 1.00 0.00 H new ATOM 0 HB3 HIS A 53 13.427 -0.660 20.056 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.239 -3.612 22.548 1.00 0.00 H new ATOM 0 HE1 HIS A 53 10.794 -1.581 23.942 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.334 -3.568 24.318 1.00 0.00 H new ATOM 789 N ALA A 54 13.321 -2.657 17.708 1.00 0.00 N ATOM 790 CA ALA A 54 12.288 -3.203 16.835 1.00 0.00 C ATOM 791 C ALA A 54 12.559 -4.679 16.543 1.00 0.00 C ATOM 792 O ALA A 54 11.659 -5.517 16.637 1.00 0.00 O ATOM 793 CB ALA A 54 12.197 -2.400 15.542 1.00 0.00 C ATOM 0 H ALA A 54 13.922 -1.959 17.271 1.00 0.00 H new ATOM 0 HA ALA A 54 11.329 -3.128 17.347 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.421 -2.823 14.905 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.951 -1.364 15.774 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.154 -2.438 15.022 1.00 0.00 H new ATOM 799 N THR A 55 13.812 -4.990 16.232 1.00 0.00 N ATOM 800 CA THR A 55 14.218 -6.352 15.918 1.00 0.00 C ATOM 801 C THR A 55 14.225 -7.236 17.164 1.00 0.00 C ATOM 802 O THR A 55 13.671 -8.338 17.158 1.00 0.00 O ATOM 803 CB THR A 55 15.615 -6.365 15.275 1.00 0.00 C ATOM 804 OG1 THR A 55 16.484 -5.477 15.991 1.00 0.00 O ATOM 805 CG2 THR A 55 15.548 -5.947 13.817 1.00 0.00 C ATOM 0 H THR A 55 14.570 -4.309 16.191 1.00 0.00 H new ATOM 0 HA THR A 55 13.489 -6.753 15.213 1.00 0.00 H new ATOM 0 HB THR A 55 16.005 -7.382 15.323 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.931 -5.968 16.712 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.549 -5.965 13.387 1.00 0.00 H new ATOM 0 HG22 THR A 55 14.906 -6.637 13.270 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.141 -4.938 13.746 1.00 0.00 H new ATOM 813 N ARG A 56 14.846 -6.743 18.233 1.00 0.00 N ATOM 814 CA ARG A 56 14.931 -7.491 19.485 1.00 0.00 C ATOM 815 C ARG A 56 13.545 -7.785 20.045 1.00 0.00 C ATOM 816 O ARG A 56 13.302 -8.862 20.588 1.00 0.00 O ATOM 817 CB ARG A 56 15.761 -6.727 20.516 1.00 0.00 C ATOM 818 CG ARG A 56 17.226 -6.593 20.137 1.00 0.00 C ATOM 819 CD ARG A 56 18.009 -5.841 21.199 1.00 0.00 C ATOM 820 NE ARG A 56 17.968 -6.520 22.494 1.00 0.00 N ATOM 821 CZ ARG A 56 18.574 -6.069 23.593 1.00 0.00 C ATOM 822 NH1 ARG A 56 19.284 -4.948 23.551 1.00 0.00 N ATOM 823 NH2 ARG A 56 18.475 -6.742 24.732 1.00 0.00 N ATOM 0 H ARG A 56 15.298 -5.829 18.257 1.00 0.00 H new ATOM 0 HA ARG A 56 15.423 -8.440 19.270 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.336 -5.732 20.648 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.688 -7.235 21.478 1.00 0.00 H new ATOM 0 HG2 ARG A 56 17.659 -7.584 19.997 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.310 -6.071 19.184 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.045 -5.735 20.878 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.603 -4.835 21.304 1.00 0.00 H new ATOM 0 HE ARG A 56 17.444 -7.392 22.561 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.367 -4.429 22.677 1.00 0.00 H new ATOM 0 HH12 ARG A 56 19.746 -4.605 24.393 1.00 0.00 H new ATOM 0 HH21 ARG A 56 17.935 -7.606 24.768 1.00 0.00 H new ATOM 0 HH22 ARG A 56 18.939 -6.395 25.571 1.00 0.00 H new ATOM 837 N HIS A 57 12.632 -6.831 19.898 1.00 0.00 N ATOM 838 CA HIS A 57 11.266 -7.017 20.364 1.00 0.00 C ATOM 839 C HIS A 57 10.577 -8.116 19.564 1.00 0.00 C ATOM 840 O HIS A 57 9.850 -8.941 20.125 1.00 0.00 O ATOM 841 CB HIS A 57 10.470 -5.713 20.257 1.00 0.00 C ATOM 842 CG HIS A 57 9.035 -5.859 20.654 1.00 0.00 C ATOM 843 ND1 HIS A 57 8.592 -5.841 21.957 1.00 0.00 N ATOM 844 CD2 HIS A 57 7.936 -6.064 19.885 1.00 0.00 C ATOM 845 CE1 HIS A 57 7.269 -6.035 21.942 1.00 0.00 C ATOM 846 NE2 HIS A 57 6.824 -6.176 20.708 1.00 0.00 N ATOM 0 H HIS A 57 12.813 -5.927 19.462 1.00 0.00 H new ATOM 0 HA HIS A 57 11.304 -7.313 21.412 1.00 0.00 H new ATOM 0 HB2 HIS A 57 10.939 -4.957 20.887 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.520 -5.348 19.231 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.170 -5.704 22.786 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.928 -6.129 18.807 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.647 -6.071 22.824 1.00 0.00 H new ATOM 854 N PHE A 58 10.806 -8.115 18.256 1.00 0.00 N ATOM 855 CA PHE A 58 10.245 -9.132 17.380 1.00 0.00 C ATOM 856 C PHE A 58 10.710 -10.520 17.800 1.00 0.00 C ATOM 857 O PHE A 58 9.913 -11.453 17.875 1.00 0.00 O ATOM 858 CB PHE A 58 10.635 -8.862 15.924 1.00 0.00 C ATOM 859 CG PHE A 58 10.425 -10.040 15.016 1.00 0.00 C ATOM 860 CD1 PHE A 58 9.179 -10.628 14.885 1.00 0.00 C ATOM 861 CD2 PHE A 58 11.482 -10.563 14.298 1.00 0.00 C ATOM 862 CE1 PHE A 58 8.993 -11.715 14.057 1.00 0.00 C ATOM 863 CE2 PHE A 58 11.302 -11.648 13.466 1.00 0.00 C ATOM 864 CZ PHE A 58 10.057 -12.225 13.345 1.00 0.00 C ATOM 0 H PHE A 58 11.378 -7.418 17.779 1.00 0.00 H new ATOM 0 HA PHE A 58 9.159 -9.091 17.464 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.053 -8.019 15.551 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.684 -8.567 15.886 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.341 -10.230 15.439 1.00 0.00 H new ATOM 0 HD2 PHE A 58 12.461 -10.117 14.389 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.016 -12.166 13.967 1.00 0.00 H new ATOM 0 HE2 PHE A 58 12.138 -12.046 12.909 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.915 -13.075 12.694 1.00 0.00 H new ATOM 874 N HIS A 59 11.995 -10.646 18.091 1.00 0.00 N ATOM 875 CA HIS A 59 12.563 -11.932 18.470 1.00 0.00 C ATOM 876 C HIS A 59 12.036 -12.375 19.836 1.00 0.00 C ATOM 877 O HIS A 59 11.874 -13.567 20.091 1.00 0.00 O ATOM 878 CB HIS A 59 14.095 -11.855 18.489 1.00 0.00 C ATOM 879 CG HIS A 59 14.765 -13.198 18.529 1.00 0.00 C ATOM 880 ND1 HIS A 59 15.371 -13.767 17.431 1.00 0.00 N ATOM 881 CD2 HIS A 59 14.920 -14.085 19.540 1.00 0.00 C ATOM 882 CE1 HIS A 59 15.864 -14.945 17.762 1.00 0.00 C ATOM 883 NE2 HIS A 59 15.605 -15.160 19.036 1.00 0.00 N ATOM 0 H HIS A 59 12.664 -9.876 18.072 1.00 0.00 H new ATOM 0 HA HIS A 59 12.260 -12.672 17.729 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.434 -11.316 17.605 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.410 -11.275 19.356 1.00 0.00 H new ATOM 0 HD2 HIS A 59 14.569 -13.967 20.555 1.00 0.00 H new ATOM 0 HE1 HIS A 59 16.390 -15.618 17.102 1.00 0.00 H new ATOM 0 HE2 HIS A 59 15.871 -15.992 19.562 1.00 0.00 H new ATOM 892 N ALA A 60 11.761 -11.409 20.704 1.00 0.00 N ATOM 893 CA ALA A 60 11.297 -11.704 22.054 1.00 0.00 C ATOM 894 C ALA A 60 9.813 -12.075 22.081 1.00 0.00 C ATOM 895 O ALA A 60 9.448 -13.166 22.515 1.00 0.00 O ATOM 896 CB ALA A 60 11.564 -10.518 22.969 1.00 0.00 C ATOM 0 H ALA A 60 11.851 -10.414 20.497 1.00 0.00 H new ATOM 0 HA ALA A 60 11.854 -12.569 22.413 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.214 -10.749 23.975 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.634 -10.313 22.996 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.036 -9.642 22.593 1.00 0.00 H new ATOM 902 N THR A 61 8.963 -11.172 21.606 1.00 0.00 N ATOM 903 CA THR A 61 7.517 -11.374 21.687 1.00 0.00 C ATOM 904 C THR A 61 6.990 -12.220 20.531 1.00 0.00 C ATOM 905 O THR A 61 5.932 -12.843 20.638 1.00 0.00 O ATOM 906 CB THR A 61 6.751 -10.034 21.706 1.00 0.00 C ATOM 907 OG1 THR A 61 7.224 -9.173 20.659 1.00 0.00 O ATOM 908 CG2 THR A 61 6.885 -9.331 23.051 1.00 0.00 C ATOM 0 H THR A 61 9.245 -10.298 21.163 1.00 0.00 H new ATOM 0 HA THR A 61 7.344 -11.903 22.624 1.00 0.00 H new ATOM 0 HB THR A 61 5.697 -10.257 21.543 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.870 -8.269 20.794 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.333 -8.391 23.027 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.481 -9.969 23.837 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.937 -9.129 23.253 1.00 0.00 H new ATOM 916 N GLY A 62 7.729 -12.247 19.432 1.00 0.00 N ATOM 917 CA GLY A 62 7.253 -12.921 18.243 1.00 0.00 C ATOM 918 C GLY A 62 6.218 -12.088 17.517 1.00 0.00 C ATOM 919 O GLY A 62 5.175 -12.592 17.106 1.00 0.00 O ATOM 0 H GLY A 62 8.649 -11.815 19.343 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.092 -13.125 17.577 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.822 -13.884 18.516 1.00 0.00 H new ATOM 923 N HIS A 63 6.505 -10.802 17.378 1.00 0.00 N ATOM 924 CA HIS A 63 5.583 -9.873 16.737 1.00 0.00 C ATOM 925 C HIS A 63 6.214 -9.324 15.465 1.00 0.00 C ATOM 926 O HIS A 63 7.046 -8.420 15.515 1.00 0.00 O ATOM 927 CB HIS A 63 5.214 -8.730 17.689 1.00 0.00 C ATOM 928 CG HIS A 63 4.367 -9.147 18.858 1.00 0.00 C ATOM 929 ND1 HIS A 63 4.179 -8.315 19.932 1.00 0.00 N ATOM 930 CD2 HIS A 63 3.657 -10.283 19.058 1.00 0.00 C ATOM 931 CE1 HIS A 63 3.365 -8.946 20.750 1.00 0.00 C ATOM 932 NE2 HIS A 63 3.017 -10.148 20.266 1.00 0.00 N ATOM 0 H HIS A 63 7.373 -10.376 17.702 1.00 0.00 H new ATOM 0 HA HIS A 63 4.667 -10.406 16.481 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.131 -8.275 18.064 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.683 -7.962 17.127 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.604 -11.133 18.394 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.020 -8.547 21.692 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.399 -10.828 20.708 1.00 0.00 H new ATOM 940 N PRO A 64 5.829 -9.879 14.308 1.00 0.00 N ATOM 941 CA PRO A 64 6.531 -9.648 13.043 1.00 0.00 C ATOM 942 C PRO A 64 6.210 -8.317 12.361 1.00 0.00 C ATOM 943 O PRO A 64 6.964 -7.878 11.495 1.00 0.00 O ATOM 944 CB PRO A 64 6.044 -10.808 12.177 1.00 0.00 C ATOM 945 CG PRO A 64 4.668 -11.095 12.670 1.00 0.00 C ATOM 946 CD PRO A 64 4.677 -10.791 14.145 1.00 0.00 C ATOM 0 HA PRO A 64 7.608 -9.598 13.203 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.038 -10.539 11.121 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.692 -11.679 12.280 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.933 -10.481 12.151 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.399 -12.136 12.489 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.746 -10.321 14.463 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.796 -11.697 14.740 1.00 0.00 H new ATOM 954 N ILE A 65 5.106 -7.677 12.725 1.00 0.00 N ATOM 955 CA ILE A 65 4.673 -6.481 12.007 1.00 0.00 C ATOM 956 C ILE A 65 4.906 -5.201 12.805 1.00 0.00 C ATOM 957 O ILE A 65 4.450 -5.057 13.946 1.00 0.00 O ATOM 958 CB ILE A 65 3.190 -6.566 11.579 1.00 0.00 C ATOM 959 CG1 ILE A 65 2.995 -7.727 10.599 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.736 -5.253 10.947 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.590 -7.843 10.047 1.00 0.00 C ATOM 0 H ILE A 65 4.503 -7.958 13.498 1.00 0.00 H new ATOM 0 HA ILE A 65 5.293 -6.438 11.111 1.00 0.00 H new ATOM 0 HB ILE A 65 2.581 -6.745 12.465 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.691 -7.608 9.769 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.254 -8.659 11.101 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.690 -5.334 10.653 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.849 -4.444 11.668 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.345 -5.043 10.068 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.537 -8.689 9.362 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.888 -7.996 10.867 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.332 -6.928 9.514 1.00 0.00 H new ATOM 973 N ILE A 66 5.621 -4.276 12.179 1.00 0.00 N ATOM 974 CA ILE A 66 5.859 -2.955 12.738 1.00 0.00 C ATOM 975 C ILE A 66 5.370 -1.887 11.767 1.00 0.00 C ATOM 976 O ILE A 66 5.216 -2.152 10.574 1.00 0.00 O ATOM 977 CB ILE A 66 7.353 -2.717 13.042 1.00 0.00 C ATOM 978 CG1 ILE A 66 8.194 -2.932 11.779 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.822 -3.630 14.167 1.00 0.00 C ATOM 980 CD1 ILE A 66 9.655 -2.588 11.957 1.00 0.00 C ATOM 0 H ILE A 66 6.053 -4.423 11.267 1.00 0.00 H new ATOM 0 HA ILE A 66 5.308 -2.894 13.677 1.00 0.00 H new ATOM 0 HB ILE A 66 7.482 -1.685 13.368 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.110 -3.974 11.470 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.783 -2.326 10.972 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.878 -3.448 14.367 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.242 -3.426 15.067 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.683 -4.670 13.873 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.187 -2.765 11.022 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.750 -1.539 12.236 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.083 -3.212 12.742 1.00 0.00 H new ATOM 992 N GLU A 67 5.131 -0.692 12.280 1.00 0.00 N ATOM 993 CA GLU A 67 4.600 0.400 11.478 1.00 0.00 C ATOM 994 C GLU A 67 5.421 1.667 11.723 1.00 0.00 C ATOM 995 O GLU A 67 6.232 1.715 12.657 1.00 0.00 O ATOM 996 CB GLU A 67 3.130 0.615 11.849 1.00 0.00 C ATOM 997 CG GLU A 67 2.234 0.995 10.682 1.00 0.00 C ATOM 998 CD GLU A 67 1.991 2.483 10.585 1.00 0.00 C ATOM 999 OE1 GLU A 67 1.093 2.981 11.302 1.00 0.00 O ATOM 1000 OE2 GLU A 67 2.686 3.147 9.787 1.00 0.00 O ATOM 0 H GLU A 67 5.298 -0.451 13.257 1.00 0.00 H new ATOM 0 HA GLU A 67 4.665 0.157 10.417 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.746 -0.298 12.303 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.070 1.397 12.606 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.687 0.645 9.754 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.278 0.482 10.783 1.00 0.00 H new ATOM 1007 N GLY A 68 5.212 2.685 10.899 1.00 0.00 N ATOM 1008 CA GLY A 68 5.976 3.912 11.018 1.00 0.00 C ATOM 1009 C GLY A 68 5.412 4.835 12.077 1.00 0.00 C ATOM 1010 O GLY A 68 4.431 5.538 11.843 1.00 0.00 O ATOM 0 H GLY A 68 4.523 2.683 10.146 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.011 3.672 11.261 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.986 4.427 10.057 1.00 0.00 H new ATOM 1014 N TYR A 69 6.047 4.842 13.241 1.00 0.00 N ATOM 1015 CA TYR A 69 5.535 5.585 14.381 1.00 0.00 C ATOM 1016 C TYR A 69 6.115 6.996 14.434 1.00 0.00 C ATOM 1017 O TYR A 69 5.380 7.982 14.347 1.00 0.00 O ATOM 1018 CB TYR A 69 5.851 4.834 15.674 1.00 0.00 C ATOM 1019 CG TYR A 69 5.203 5.441 16.891 1.00 0.00 C ATOM 1020 CD1 TYR A 69 3.838 5.692 16.912 1.00 0.00 C ATOM 1021 CD2 TYR A 69 5.950 5.770 18.014 1.00 0.00 C ATOM 1022 CE1 TYR A 69 3.236 6.253 18.015 1.00 0.00 C ATOM 1023 CE2 TYR A 69 5.353 6.333 19.123 1.00 0.00 C ATOM 1024 CZ TYR A 69 3.997 6.571 19.117 1.00 0.00 C ATOM 1025 OH TYR A 69 3.396 7.140 20.210 1.00 0.00 O ATOM 0 H TYR A 69 6.917 4.341 13.419 1.00 0.00 H new ATOM 0 HA TYR A 69 4.454 5.675 14.270 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.523 3.799 15.574 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.931 4.813 15.819 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.239 5.443 16.049 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.014 5.583 18.020 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.173 6.443 18.016 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.945 6.585 19.990 1.00 0.00 H new ATOM 0 HH TYR A 69 3.868 7.965 20.450 1.00 0.00 H new ATOM 1035 N ASP A 70 7.433 7.083 14.582 1.00 0.00 N ATOM 1036 CA ASP A 70 8.114 8.374 14.673 1.00 0.00 C ATOM 1037 C ASP A 70 7.987 9.169 13.367 1.00 0.00 C ATOM 1038 O ASP A 70 7.580 10.334 13.396 1.00 0.00 O ATOM 1039 CB ASP A 70 9.582 8.179 15.073 1.00 0.00 C ATOM 1040 CG ASP A 70 10.451 9.387 14.782 1.00 0.00 C ATOM 1041 OD1 ASP A 70 10.327 10.403 15.490 1.00 0.00 O ATOM 1042 OD2 ASP A 70 11.264 9.315 13.836 1.00 0.00 O ATOM 0 H ASP A 70 8.053 6.275 14.642 1.00 0.00 H new ATOM 0 HA ASP A 70 7.627 8.961 15.452 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.634 7.952 16.138 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.984 7.316 14.543 1.00 0.00 H new ATOM 1047 N PRO A 71 8.327 8.579 12.200 1.00 0.00 N ATOM 1048 CA PRO A 71 8.074 9.205 10.916 1.00 0.00 C ATOM 1049 C PRO A 71 6.686 8.838 10.401 1.00 0.00 C ATOM 1050 O PRO A 71 6.446 7.693 10.011 1.00 0.00 O ATOM 1051 CB PRO A 71 9.166 8.624 10.002 1.00 0.00 C ATOM 1052 CG PRO A 71 9.854 7.553 10.799 1.00 0.00 C ATOM 1053 CD PRO A 71 8.996 7.290 12.006 1.00 0.00 C ATOM 0 HA PRO A 71 8.101 10.294 10.965 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.732 8.213 9.090 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.872 9.397 9.699 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.974 6.647 10.205 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.852 7.874 11.097 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.283 6.484 11.831 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.591 7.006 12.874 1.00 0.00 H new ATOM 1061 N PRO A 72 5.748 9.796 10.417 1.00 0.00 N ATOM 1062 CA PRO A 72 4.369 9.552 10.000 1.00 0.00 C ATOM 1063 C PRO A 72 4.252 9.317 8.497 1.00 0.00 C ATOM 1064 O PRO A 72 3.994 10.241 7.725 1.00 0.00 O ATOM 1065 CB PRO A 72 3.633 10.829 10.411 1.00 0.00 C ATOM 1066 CG PRO A 72 4.684 11.883 10.457 1.00 0.00 C ATOM 1067 CD PRO A 72 5.962 11.191 10.842 1.00 0.00 C ATOM 0 HA PRO A 72 3.959 8.652 10.458 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.852 11.082 9.694 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.150 10.711 11.381 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.784 12.374 9.489 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.427 12.656 11.181 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.823 11.634 10.342 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.146 11.259 11.914 1.00 0.00 H new ATOM 1075 N GLU A 73 4.474 8.077 8.089 1.00 0.00 N ATOM 1076 CA GLU A 73 4.412 7.710 6.685 1.00 0.00 C ATOM 1077 C GLU A 73 3.273 6.726 6.441 1.00 0.00 C ATOM 1078 O GLU A 73 2.599 6.783 5.411 1.00 0.00 O ATOM 1079 CB GLU A 73 5.742 7.099 6.245 1.00 0.00 C ATOM 1080 CG GLU A 73 6.945 7.975 6.557 1.00 0.00 C ATOM 1081 CD GLU A 73 8.252 7.340 6.138 1.00 0.00 C ATOM 1082 OE1 GLU A 73 8.655 6.331 6.753 1.00 0.00 O ATOM 1083 OE2 GLU A 73 8.892 7.852 5.196 1.00 0.00 O ATOM 0 H GLU A 73 4.700 7.305 8.716 1.00 0.00 H new ATOM 0 HA GLU A 73 4.224 8.608 6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.869 6.134 6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.709 6.910 5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.833 8.934 6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.972 8.181 7.627 1.00 0.00 H new ATOM 1090 N GLY A 74 3.065 5.822 7.391 1.00 0.00 N ATOM 1091 CA GLY A 74 1.968 4.883 7.289 1.00 0.00 C ATOM 1092 C GLY A 74 2.298 3.696 6.410 1.00 0.00 C ATOM 1093 O GLY A 74 1.836 3.613 5.270 1.00 0.00 O ATOM 0 H GLY A 74 3.637 5.724 8.230 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.703 4.530 8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.093 5.395 6.889 1.00 0.00 H new ATOM 1097 N TRP A 75 3.089 2.776 6.936 1.00 0.00 N ATOM 1098 CA TRP A 75 3.451 1.566 6.212 1.00 0.00 C ATOM 1099 C TRP A 75 3.866 0.476 7.187 1.00 0.00 C ATOM 1100 O TRP A 75 4.438 0.757 8.242 1.00 0.00 O ATOM 1101 CB TRP A 75 4.562 1.832 5.183 1.00 0.00 C ATOM 1102 CG TRP A 75 5.821 2.411 5.756 1.00 0.00 C ATOM 1103 CD1 TRP A 75 6.083 3.730 5.984 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.997 1.694 6.153 1.00 0.00 C ATOM 1105 NE1 TRP A 75 7.346 3.878 6.500 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.927 2.645 6.616 1.00 0.00 C ATOM 1107 CE3 TRP A 75 7.354 0.343 6.167 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 9.187 2.286 7.084 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 8.605 -0.010 6.632 1.00 0.00 C ATOM 1110 CH2 TRP A 75 9.508 0.957 7.084 1.00 0.00 C ATOM 0 H TRP A 75 3.496 2.844 7.869 1.00 0.00 H new ATOM 0 HA TRP A 75 2.573 1.229 5.660 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.805 0.896 4.680 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.179 2.512 4.422 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.396 4.540 5.787 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.781 4.764 6.756 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.663 -0.412 5.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 9.886 3.030 7.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.891 -1.051 6.647 1.00 0.00 H new ATOM 0 HH2 TRP A 75 10.479 0.648 7.441 1.00 0.00 H new ATOM 1121 N GLY A 76 3.566 -0.761 6.834 1.00 0.00 N ATOM 1122 CA GLY A 76 3.839 -1.867 7.717 1.00 0.00 C ATOM 1123 C GLY A 76 4.885 -2.806 7.166 1.00 0.00 C ATOM 1124 O GLY A 76 4.847 -3.186 5.992 1.00 0.00 O ATOM 0 H GLY A 76 3.136 -1.018 5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.172 -1.483 8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.917 -2.421 7.896 1.00 0.00 H new ATOM 1128 N TRP A 77 5.819 -3.177 8.021 1.00 0.00 N ATOM 1129 CA TRP A 77 6.873 -4.108 7.664 1.00 0.00 C ATOM 1130 C TRP A 77 6.704 -5.397 8.456 1.00 0.00 C ATOM 1131 O TRP A 77 6.550 -5.367 9.676 1.00 0.00 O ATOM 1132 CB TRP A 77 8.239 -3.472 7.942 1.00 0.00 C ATOM 1133 CG TRP A 77 9.407 -4.376 7.688 1.00 0.00 C ATOM 1134 CD1 TRP A 77 10.119 -5.082 8.617 1.00 0.00 C ATOM 1135 CD2 TRP A 77 10.008 -4.663 6.421 1.00 0.00 C ATOM 1136 NE1 TRP A 77 11.125 -5.787 8.003 1.00 0.00 N ATOM 1137 CE2 TRP A 77 11.077 -5.548 6.656 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.745 -4.259 5.110 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.881 -6.032 5.630 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.545 -4.741 4.092 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.601 -5.619 4.357 1.00 0.00 C ATOM 0 H TRP A 77 5.869 -2.841 8.983 1.00 0.00 H new ATOM 0 HA TRP A 77 6.812 -4.343 6.601 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.344 -2.581 7.323 1.00 0.00 H new ATOM 0 HB3 TRP A 77 8.269 -3.144 8.981 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.920 -5.085 9.678 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.799 -6.391 8.474 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.931 -3.582 4.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.697 -6.710 5.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.352 -4.435 3.075 1.00 0.00 H new ATOM 0 HH2 TRP A 77 12.208 -5.978 3.539 1.00 0.00 H new ATOM 1152 N CYS A 78 6.710 -6.525 7.764 1.00 0.00 N ATOM 1153 CA CYS A 78 6.564 -7.815 8.424 1.00 0.00 C ATOM 1154 C CYS A 78 7.878 -8.577 8.342 1.00 0.00 C ATOM 1155 O CYS A 78 8.245 -9.050 7.276 1.00 0.00 O ATOM 1156 CB CYS A 78 5.439 -8.629 7.778 1.00 0.00 C ATOM 1157 SG CYS A 78 4.794 -9.976 8.828 1.00 0.00 S ATOM 0 H CYS A 78 6.814 -6.575 6.751 1.00 0.00 H new ATOM 0 HA CYS A 78 6.306 -7.650 9.470 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.619 -7.957 7.524 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.804 -9.055 6.843 1.00 0.00 H new ATOM 0 HG CYS A 78 4.925 -11.111 8.207 1.00 0.00 H new ATOM 1162 N TYR A 79 8.574 -8.685 9.469 1.00 0.00 N ATOM 1163 CA TYR A 79 9.922 -9.261 9.515 1.00 0.00 C ATOM 1164 C TYR A 79 10.019 -10.642 8.864 1.00 0.00 C ATOM 1165 O TYR A 79 10.844 -10.843 7.978 1.00 0.00 O ATOM 1166 CB TYR A 79 10.426 -9.329 10.955 1.00 0.00 C ATOM 1167 CG TYR A 79 10.970 -8.013 11.462 1.00 0.00 C ATOM 1168 CD1 TYR A 79 12.218 -7.563 11.051 1.00 0.00 C ATOM 1169 CD2 TYR A 79 10.245 -7.221 12.344 1.00 0.00 C ATOM 1170 CE1 TYR A 79 12.728 -6.364 11.501 1.00 0.00 C ATOM 1171 CE2 TYR A 79 10.751 -6.017 12.800 1.00 0.00 C ATOM 1172 CZ TYR A 79 11.994 -5.594 12.373 1.00 0.00 C ATOM 1173 OH TYR A 79 12.503 -4.395 12.815 1.00 0.00 O ATOM 0 H TYR A 79 8.224 -8.378 10.377 1.00 0.00 H new ATOM 0 HA TYR A 79 10.555 -8.594 8.930 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.611 -9.651 11.603 1.00 0.00 H new ATOM 0 HB3 TYR A 79 11.206 -10.087 11.024 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.799 -8.163 10.367 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.272 -7.550 12.678 1.00 0.00 H new ATOM 0 HE1 TYR A 79 13.700 -6.030 11.170 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.177 -5.411 13.486 1.00 0.00 H new ATOM 0 HH TYR A 79 13.086 -4.013 12.126 1.00 0.00 H new ATOM 1183 N VAL A 80 9.185 -11.586 9.294 1.00 0.00 N ATOM 1184 CA VAL A 80 9.255 -12.955 8.769 1.00 0.00 C ATOM 1185 C VAL A 80 8.957 -13.015 7.269 1.00 0.00 C ATOM 1186 O VAL A 80 9.418 -13.917 6.572 1.00 0.00 O ATOM 1187 CB VAL A 80 8.298 -13.913 9.514 1.00 0.00 C ATOM 1188 CG1 VAL A 80 8.812 -14.204 10.913 1.00 0.00 C ATOM 1189 CG2 VAL A 80 6.892 -13.338 9.578 1.00 0.00 C ATOM 0 H VAL A 80 8.460 -11.435 9.996 1.00 0.00 H new ATOM 0 HA VAL A 80 10.282 -13.281 8.936 1.00 0.00 H new ATOM 0 HB VAL A 80 8.260 -14.848 8.956 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.124 -14.880 11.420 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.796 -14.668 10.850 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.886 -13.273 11.475 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.239 -14.032 10.107 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.912 -12.385 10.106 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.515 -13.185 8.567 1.00 0.00 H new ATOM 1199 N ASP A 81 8.208 -12.042 6.775 1.00 0.00 N ATOM 1200 CA ASP A 81 7.820 -12.013 5.369 1.00 0.00 C ATOM 1201 C ASP A 81 8.803 -11.196 4.550 1.00 0.00 C ATOM 1202 O ASP A 81 9.085 -11.524 3.399 1.00 0.00 O ATOM 1203 CB ASP A 81 6.418 -11.423 5.208 1.00 0.00 C ATOM 1204 CG ASP A 81 5.342 -12.298 5.807 1.00 0.00 C ATOM 1205 OD1 ASP A 81 5.283 -12.400 7.043 1.00 0.00 O ATOM 1206 OD2 ASP A 81 4.533 -12.858 5.045 1.00 0.00 O ATOM 0 H ASP A 81 7.855 -11.260 7.326 1.00 0.00 H new ATOM 0 HA ASP A 81 7.824 -13.041 5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.386 -10.441 5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.211 -11.274 4.148 1.00 0.00 H new ATOM 1211 N GLU A 82 9.305 -10.124 5.161 1.00 0.00 N ATOM 1212 CA GLU A 82 10.209 -9.184 4.504 1.00 0.00 C ATOM 1213 C GLU A 82 9.485 -8.440 3.389 1.00 0.00 C ATOM 1214 O GLU A 82 10.096 -7.953 2.437 1.00 0.00 O ATOM 1215 CB GLU A 82 11.460 -9.895 3.987 1.00 0.00 C ATOM 1216 CG GLU A 82 12.368 -10.372 5.107 1.00 0.00 C ATOM 1217 CD GLU A 82 13.531 -11.197 4.612 1.00 0.00 C ATOM 1218 OE1 GLU A 82 14.388 -10.654 3.885 1.00 0.00 O ATOM 1219 OE2 GLU A 82 13.604 -12.392 4.960 1.00 0.00 O ATOM 0 H GLU A 82 9.095 -9.883 6.130 1.00 0.00 H new ATOM 0 HA GLU A 82 10.536 -8.449 5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.162 -10.748 3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.015 -9.218 3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.748 -9.508 5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.785 -10.963 5.813 1.00 0.00 H new ATOM 1226 N VAL A 83 8.172 -8.339 3.540 1.00 0.00 N ATOM 1227 CA VAL A 83 7.348 -7.580 2.618 1.00 0.00 C ATOM 1228 C VAL A 83 6.950 -6.255 3.250 1.00 0.00 C ATOM 1229 O VAL A 83 6.836 -6.151 4.478 1.00 0.00 O ATOM 1230 CB VAL A 83 6.072 -8.350 2.208 1.00 0.00 C ATOM 1231 CG1 VAL A 83 6.432 -9.643 1.495 1.00 0.00 C ATOM 1232 CG2 VAL A 83 5.187 -8.629 3.417 1.00 0.00 C ATOM 0 H VAL A 83 7.653 -8.779 4.300 1.00 0.00 H new ATOM 0 HA VAL A 83 7.941 -7.408 1.720 1.00 0.00 H new ATOM 0 HB VAL A 83 5.508 -7.723 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.520 -10.170 1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.010 -9.416 0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.025 -10.272 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.297 -9.172 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.738 -9.229 4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.892 -7.686 3.877 1.00 0.00 H new ATOM 1242 N MET A 84 6.747 -5.252 2.416 1.00 0.00 N ATOM 1243 CA MET A 84 6.355 -3.935 2.888 1.00 0.00 C ATOM 1244 C MET A 84 5.035 -3.532 2.252 1.00 0.00 C ATOM 1245 O MET A 84 4.901 -3.529 1.029 1.00 0.00 O ATOM 1246 CB MET A 84 7.433 -2.904 2.554 1.00 0.00 C ATOM 1247 CG MET A 84 7.145 -1.518 3.108 1.00 0.00 C ATOM 1248 SD MET A 84 8.394 -0.308 2.632 1.00 0.00 S ATOM 1249 CE MET A 84 9.861 -1.027 3.367 1.00 0.00 C ATOM 0 H MET A 84 6.847 -5.324 1.404 1.00 0.00 H new ATOM 0 HA MET A 84 6.235 -3.972 3.971 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.389 -3.251 2.946 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.537 -2.838 1.471 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.169 -1.185 2.755 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.090 -1.570 4.195 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.614 -0.252 3.509 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.607 -1.467 4.331 1.00 0.00 H new ATOM 0 HE3 MET A 84 10.256 -1.800 2.708 1.00 0.00 H new ATOM 1259 N PHE A 85 4.060 -3.203 3.079 1.00 0.00 N ATOM 1260 CA PHE A 85 2.747 -2.824 2.588 1.00 0.00 C ATOM 1261 C PHE A 85 2.315 -1.498 3.196 1.00 0.00 C ATOM 1262 O PHE A 85 2.691 -1.170 4.320 1.00 0.00 O ATOM 1263 CB PHE A 85 1.720 -3.927 2.886 1.00 0.00 C ATOM 1264 CG PHE A 85 1.697 -4.384 4.320 1.00 0.00 C ATOM 1265 CD1 PHE A 85 2.560 -5.377 4.759 1.00 0.00 C ATOM 1266 CD2 PHE A 85 0.809 -3.828 5.225 1.00 0.00 C ATOM 1267 CE1 PHE A 85 2.538 -5.802 6.074 1.00 0.00 C ATOM 1268 CE2 PHE A 85 0.783 -4.250 6.540 1.00 0.00 C ATOM 1269 CZ PHE A 85 1.649 -5.237 6.965 1.00 0.00 C ATOM 0 H PHE A 85 4.152 -3.190 4.095 1.00 0.00 H new ATOM 0 HA PHE A 85 2.803 -2.699 1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.728 -3.565 2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.931 -4.785 2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.257 -5.823 4.065 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.129 -3.055 4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 85 3.216 -6.575 6.404 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.085 -3.808 7.235 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.631 -5.567 7.993 1.00 0.00 H new ATOM 1279 N ASP A 86 1.537 -0.739 2.443 1.00 0.00 N ATOM 1280 CA ASP A 86 1.105 0.581 2.877 1.00 0.00 C ATOM 1281 C ASP A 86 0.022 0.475 3.934 1.00 0.00 C ATOM 1282 O ASP A 86 -0.949 -0.268 3.779 1.00 0.00 O ATOM 1283 CB ASP A 86 0.594 1.404 1.694 1.00 0.00 C ATOM 1284 CG ASP A 86 1.673 1.676 0.670 1.00 0.00 C ATOM 1285 OD1 ASP A 86 2.489 2.597 0.886 1.00 0.00 O ATOM 1286 OD2 ASP A 86 1.719 0.965 -0.352 1.00 0.00 O ATOM 0 H ASP A 86 1.190 -1.015 1.524 1.00 0.00 H new ATOM 0 HA ASP A 86 1.969 1.086 3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.231 0.875 1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.197 2.351 2.059 1.00 0.00 H new ATOM 1291 N LEU A 87 0.194 1.227 5.006 1.00 0.00 N ATOM 1292 CA LEU A 87 -0.762 1.240 6.098 1.00 0.00 C ATOM 1293 C LEU A 87 -1.195 2.660 6.407 1.00 0.00 C ATOM 1294 O LEU A 87 -1.648 2.939 7.504 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.161 0.607 7.356 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.193 -0.921 7.404 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.494 -1.427 8.662 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.627 -1.421 7.358 1.00 0.00 C ATOM 0 H LEU A 87 0.996 1.843 5.144 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.630 0.657 5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.875 0.934 7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.694 0.992 8.225 1.00 0.00 H new ATOM 0 HG LEU A 87 0.342 -1.304 6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.462 -2.516 8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.532 -1.094 8.669 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.019 -1.034 9.540 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.634 -2.510 7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.177 -1.027 8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.100 -1.085 6.435 1.00 0.00 H new ATOM 1310 N SER A 88 -1.081 3.548 5.428 1.00 0.00 N ATOM 1311 CA SER A 88 -1.414 4.957 5.625 1.00 0.00 C ATOM 1312 C SER A 88 -2.883 5.123 6.022 1.00 0.00 C ATOM 1313 O SER A 88 -3.258 6.082 6.697 1.00 0.00 O ATOM 1314 CB SER A 88 -1.123 5.738 4.344 1.00 0.00 C ATOM 1315 OG SER A 88 0.217 5.539 3.916 1.00 0.00 O ATOM 0 H SER A 88 -0.760 3.319 4.487 1.00 0.00 H new ATOM 0 HA SER A 88 -0.799 5.349 6.435 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.809 5.422 3.558 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.300 6.800 4.514 1.00 0.00 H new ATOM 0 HG SER A 88 0.683 4.964 4.558 1.00 0.00 H new ATOM 1321 N ASP A 89 -3.697 4.161 5.618 1.00 0.00 N ATOM 1322 CA ASP A 89 -5.126 4.169 5.897 1.00 0.00 C ATOM 1323 C ASP A 89 -5.425 3.664 7.306 1.00 0.00 C ATOM 1324 O ASP A 89 -6.482 3.946 7.868 1.00 0.00 O ATOM 1325 CB ASP A 89 -5.851 3.295 4.872 1.00 0.00 C ATOM 1326 CG ASP A 89 -5.303 1.881 4.810 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -4.111 1.711 4.473 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -6.065 0.931 5.077 1.00 0.00 O ATOM 0 H ASP A 89 -3.385 3.349 5.085 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.479 5.198 5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.912 3.258 5.119 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.769 3.755 3.887 1.00 0.00 H new ATOM 1333 N ARG A 90 -4.487 2.924 7.873 1.00 0.00 N ATOM 1334 CA ARG A 90 -4.666 2.342 9.203 1.00 0.00 C ATOM 1335 C ARG A 90 -3.525 2.749 10.130 1.00 0.00 C ATOM 1336 O ARG A 90 -3.325 2.141 11.180 1.00 0.00 O ATOM 1337 CB ARG A 90 -4.712 0.813 9.112 1.00 0.00 C ATOM 1338 CG ARG A 90 -5.755 0.281 8.147 1.00 0.00 C ATOM 1339 CD ARG A 90 -5.732 -1.238 8.091 1.00 0.00 C ATOM 1340 NE ARG A 90 -6.557 -1.759 7.005 1.00 0.00 N ATOM 1341 CZ ARG A 90 -7.031 -3.004 6.953 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -6.804 -3.851 7.954 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -7.739 -3.395 5.902 1.00 0.00 N ATOM 0 H ARG A 90 -3.591 2.709 7.436 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.607 2.715 9.607 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.731 0.448 8.807 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.909 0.406 10.104 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.744 0.621 8.454 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.573 0.687 7.152 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.705 -1.580 7.962 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.086 -1.641 9.040 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.786 -1.129 6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.265 -3.549 8.766 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.169 -4.803 7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.919 -2.744 5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.104 -4.347 5.858 1.00 0.00 H new ATOM 1357 N MET A 91 -2.795 3.787 9.745 1.00 0.00 N ATOM 1358 CA MET A 91 -1.563 4.160 10.442 1.00 0.00 C ATOM 1359 C MET A 91 -1.841 4.676 11.846 1.00 0.00 C ATOM 1360 O MET A 91 -2.920 5.204 12.127 1.00 0.00 O ATOM 1361 CB MET A 91 -0.776 5.208 9.649 1.00 0.00 C ATOM 1362 CG MET A 91 -1.472 6.552 9.524 1.00 0.00 C ATOM 1363 SD MET A 91 -0.460 7.767 8.659 1.00 0.00 S ATOM 1364 CE MET A 91 0.978 7.813 9.728 1.00 0.00 C ATOM 0 H MET A 91 -3.031 4.388 8.955 1.00 0.00 H new ATOM 0 HA MET A 91 -0.962 3.255 10.526 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.192 5.357 10.128 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.581 4.819 8.650 1.00 0.00 H new ATOM 0 HG2 MET A 91 -2.415 6.423 8.992 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.716 6.927 10.518 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.377 8.827 9.757 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.693 7.506 10.734 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.739 7.134 9.343 1.00 0.00 H new ATOM 1374 N THR A 92 -0.860 4.510 12.721 1.00 0.00 N ATOM 1375 CA THR A 92 -0.979 4.954 14.100 1.00 0.00 C ATOM 1376 C THR A 92 -0.095 6.175 14.355 1.00 0.00 C ATOM 1377 O THR A 92 1.128 6.062 14.440 1.00 0.00 O ATOM 1378 CB THR A 92 -0.593 3.826 15.078 1.00 0.00 C ATOM 1379 OG1 THR A 92 -1.309 2.630 14.741 1.00 0.00 O ATOM 1380 CG2 THR A 92 -0.904 4.218 16.516 1.00 0.00 C ATOM 0 H THR A 92 0.032 4.068 12.498 1.00 0.00 H new ATOM 0 HA THR A 92 -2.021 5.227 14.269 1.00 0.00 H new ATOM 0 HB THR A 92 0.480 3.652 14.993 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.061 1.914 15.363 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.622 3.404 17.184 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.342 5.114 16.778 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.971 4.416 16.616 1.00 0.00 H new ATOM 1388 N PRO A 93 -0.709 7.365 14.455 1.00 0.00 N ATOM 1389 CA PRO A 93 0.010 8.612 14.731 1.00 0.00 C ATOM 1390 C PRO A 93 0.629 8.620 16.126 1.00 0.00 C ATOM 1391 O PRO A 93 0.106 7.991 17.050 1.00 0.00 O ATOM 1392 CB PRO A 93 -1.073 9.697 14.621 1.00 0.00 C ATOM 1393 CG PRO A 93 -2.225 9.041 13.937 1.00 0.00 C ATOM 1394 CD PRO A 93 -2.151 7.591 14.307 1.00 0.00 C ATOM 0 HA PRO A 93 0.842 8.759 14.042 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.360 10.067 15.605 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.714 10.554 14.051 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.170 9.478 14.258 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.164 9.172 12.857 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.690 7.382 15.231 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.583 6.954 13.535 1.00 0.00 H new ATOM 1402 N HIS A 94 1.745 9.328 16.271 1.00 0.00 N ATOM 1403 CA HIS A 94 2.427 9.425 17.556 1.00 0.00 C ATOM 1404 C HIS A 94 1.525 10.067 18.607 1.00 0.00 C ATOM 1405 O HIS A 94 0.881 11.088 18.352 1.00 0.00 O ATOM 1406 CB HIS A 94 3.757 10.185 17.425 1.00 0.00 C ATOM 1407 CG HIS A 94 3.650 11.573 16.864 1.00 0.00 C ATOM 1408 ND1 HIS A 94 3.657 11.841 15.512 1.00 0.00 N ATOM 1409 CD2 HIS A 94 3.567 12.773 17.482 1.00 0.00 C ATOM 1410 CE1 HIS A 94 3.587 13.145 15.325 1.00 0.00 C ATOM 1411 NE2 HIS A 94 3.533 13.733 16.504 1.00 0.00 N ATOM 0 H HIS A 94 2.196 9.843 15.514 1.00 0.00 H new ATOM 0 HA HIS A 94 2.658 8.413 17.888 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.222 10.244 18.409 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.427 9.605 16.790 1.00 0.00 H new ATOM 0 HD2 HIS A 94 3.534 12.943 18.548 1.00 0.00 H new ATOM 0 HE1 HIS A 94 3.576 13.646 14.368 1.00 0.00 H new ATOM 0 HE2 HIS A 94 3.475 14.739 16.663 1.00 0.00 H new ATOM 1420 N ASN A 95 1.482 9.452 19.781 1.00 0.00 N ATOM 1421 CA ASN A 95 0.562 9.859 20.838 1.00 0.00 C ATOM 1422 C ASN A 95 0.961 11.195 21.459 1.00 0.00 C ATOM 1423 O ASN A 95 0.103 12.005 21.807 1.00 0.00 O ATOM 1424 CB ASN A 95 0.473 8.769 21.919 1.00 0.00 C ATOM 1425 CG ASN A 95 1.773 8.554 22.687 1.00 0.00 C ATOM 1426 OD1 ASN A 95 2.868 8.818 22.187 1.00 0.00 O ATOM 1427 ND2 ASN A 95 1.658 8.055 23.905 1.00 0.00 N ATOM 0 H ASN A 95 2.079 8.662 20.028 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.420 9.991 20.384 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.315 9.034 22.624 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.179 7.830 21.451 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.492 7.876 24.464 1.00 0.00 H new ATOM 0 HD22 ASN A 95 0.735 7.849 24.287 1.00 0.00 H new ATOM 1434 N GLY A 96 2.257 11.433 21.585 1.00 0.00 N ATOM 1435 CA GLY A 96 2.717 12.651 22.213 1.00 0.00 C ATOM 1436 C GLY A 96 3.997 13.179 21.602 1.00 0.00 C ATOM 1437 O GLY A 96 4.353 12.809 20.483 1.00 0.00 O ATOM 0 H GLY A 96 2.995 10.807 21.265 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.940 13.412 22.132 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.875 12.469 23.276 1.00 0.00 H new ATOM 1441 N PRO A 97 4.713 14.045 22.332 1.00 0.00 N ATOM 1442 CA PRO A 97 5.937 14.684 21.846 1.00 0.00 C ATOM 1443 C PRO A 97 7.085 13.698 21.675 1.00 0.00 C ATOM 1444 O PRO A 97 7.593 13.144 22.652 1.00 0.00 O ATOM 1445 CB PRO A 97 6.285 15.704 22.940 1.00 0.00 C ATOM 1446 CG PRO A 97 5.070 15.802 23.799 1.00 0.00 C ATOM 1447 CD PRO A 97 4.387 14.472 23.698 1.00 0.00 C ATOM 0 HA PRO A 97 5.785 15.127 20.862 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.149 15.378 23.519 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.538 16.672 22.507 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.339 16.026 24.831 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.415 16.604 23.459 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.759 13.768 24.442 1.00 0.00 H new ATOM 0 HD3 PRO A 97 3.311 14.557 23.850 1.00 0.00 H new ATOM 1455 N ILE A 98 7.478 13.469 20.433 1.00 0.00 N ATOM 1456 CA ILE A 98 8.646 12.657 20.143 1.00 0.00 C ATOM 1457 C ILE A 98 9.769 13.545 19.631 1.00 0.00 C ATOM 1458 O ILE A 98 9.670 14.118 18.544 1.00 0.00 O ATOM 1459 CB ILE A 98 8.351 11.557 19.102 1.00 0.00 C ATOM 1460 CG1 ILE A 98 7.205 10.663 19.580 1.00 0.00 C ATOM 1461 CG2 ILE A 98 9.602 10.727 18.844 1.00 0.00 C ATOM 1462 CD1 ILE A 98 6.909 9.504 18.654 1.00 0.00 C ATOM 0 H ILE A 98 7.003 13.835 19.608 1.00 0.00 H new ATOM 0 HA ILE A 98 8.940 12.165 21.070 1.00 0.00 H new ATOM 0 HB ILE A 98 8.050 12.032 18.168 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.448 10.273 20.568 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.305 11.268 19.689 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.381 9.954 18.108 1.00 0.00 H new ATOM 0 HG22 ILE A 98 10.395 11.372 18.466 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.927 10.260 19.774 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.085 8.916 19.059 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.634 9.885 17.671 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.794 8.875 18.564 1.00 0.00 H new ATOM 1474 N PRO A 99 10.834 13.699 20.427 1.00 0.00 N ATOM 1475 CA PRO A 99 11.989 14.512 20.053 1.00 0.00 C ATOM 1476 C PRO A 99 12.723 13.931 18.852 1.00 0.00 C ATOM 1477 O PRO A 99 13.361 12.882 18.949 1.00 0.00 O ATOM 1478 CB PRO A 99 12.887 14.480 21.298 1.00 0.00 C ATOM 1479 CG PRO A 99 12.012 13.996 22.403 1.00 0.00 C ATOM 1480 CD PRO A 99 10.995 13.101 21.758 1.00 0.00 C ATOM 0 HA PRO A 99 11.698 15.521 19.760 1.00 0.00 H new ATOM 0 HB2 PRO A 99 13.739 13.816 21.151 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.288 15.469 21.519 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.591 13.454 23.151 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.531 14.830 22.914 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.343 12.070 21.699 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.057 13.089 22.313 1.00 0.00 H new ATOM 1488 N ARG A 100 12.612 14.606 17.717 1.00 0.00 N ATOM 1489 CA ARG A 100 13.282 14.164 16.506 1.00 0.00 C ATOM 1490 C ARG A 100 14.770 14.471 16.607 1.00 0.00 C ATOM 1491 O ARG A 100 15.174 15.632 16.571 1.00 0.00 O ATOM 1492 CB ARG A 100 12.696 14.851 15.269 1.00 0.00 C ATOM 1493 CG ARG A 100 13.230 14.288 13.960 1.00 0.00 C ATOM 1494 CD ARG A 100 12.407 13.104 13.475 1.00 0.00 C ATOM 1495 NE ARG A 100 11.356 13.524 12.548 1.00 0.00 N ATOM 1496 CZ ARG A 100 10.136 12.996 12.499 1.00 0.00 C ATOM 1497 NH1 ARG A 100 9.771 12.061 13.368 1.00 0.00 N ATOM 1498 NH2 ARG A 100 9.273 13.409 11.575 1.00 0.00 N ATOM 0 H ARG A 100 12.065 15.460 17.611 1.00 0.00 H new ATOM 0 HA ARG A 100 13.132 13.089 16.402 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.611 14.749 15.285 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.917 15.917 15.315 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.225 15.069 13.200 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.267 13.979 14.094 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.060 12.383 12.983 1.00 0.00 H new ATOM 0 HD3 ARG A 100 11.958 12.597 14.329 1.00 0.00 H new ATOM 0 HE ARG A 100 11.574 14.275 11.893 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.428 11.742 14.080 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.834 11.661 13.323 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.547 14.129 10.906 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.337 13.006 11.535 1.00 0.00 H new ATOM 1512 N TYR A 101 15.578 13.435 16.757 1.00 0.00 N ATOM 1513 CA TYR A 101 17.016 13.614 16.877 1.00 0.00 C ATOM 1514 C TYR A 101 17.646 13.803 15.505 1.00 0.00 C ATOM 1515 O TYR A 101 18.619 14.542 15.355 1.00 0.00 O ATOM 1516 CB TYR A 101 17.651 12.425 17.600 1.00 0.00 C ATOM 1517 CG TYR A 101 17.223 12.305 19.045 1.00 0.00 C ATOM 1518 CD1 TYR A 101 17.843 13.055 20.036 1.00 0.00 C ATOM 1519 CD2 TYR A 101 16.200 11.443 19.420 1.00 0.00 C ATOM 1520 CE1 TYR A 101 17.455 12.951 21.358 1.00 0.00 C ATOM 1521 CE2 TYR A 101 15.807 11.334 20.741 1.00 0.00 C ATOM 1522 CZ TYR A 101 16.438 12.089 21.706 1.00 0.00 C ATOM 1523 OH TYR A 101 16.050 11.982 23.024 1.00 0.00 O ATOM 0 H TYR A 101 15.265 12.465 16.799 1.00 0.00 H new ATOM 0 HA TYR A 101 17.201 14.511 17.468 1.00 0.00 H new ATOM 0 HB2 TYR A 101 17.390 11.507 17.074 1.00 0.00 H new ATOM 0 HB3 TYR A 101 18.736 12.520 17.556 1.00 0.00 H new ATOM 0 HD1 TYR A 101 18.642 13.731 19.769 1.00 0.00 H new ATOM 0 HD2 TYR A 101 15.704 10.848 18.667 1.00 0.00 H new ATOM 0 HE1 TYR A 101 17.947 13.543 22.116 1.00 0.00 H new ATOM 0 HE2 TYR A 101 15.009 10.660 21.016 1.00 0.00 H new ATOM 0 HH TYR A 101 15.320 11.332 23.098 1.00 0.00 H new ATOM 1533 N VAL A 102 17.079 13.141 14.506 1.00 0.00 N ATOM 1534 CA VAL A 102 17.558 13.266 13.140 1.00 0.00 C ATOM 1535 C VAL A 102 16.444 13.763 12.219 1.00 0.00 C ATOM 1536 O VAL A 102 16.259 14.992 12.137 1.00 0.00 O ATOM 1537 CB VAL A 102 18.141 11.934 12.611 1.00 0.00 C ATOM 1538 CG1 VAL A 102 19.533 11.701 13.178 1.00 0.00 C ATOM 1539 CG2 VAL A 102 17.233 10.762 12.962 1.00 0.00 C ATOM 1540 OXT VAL A 102 15.752 12.932 11.593 1.00 0.00 O ATOM 0 H VAL A 102 16.285 12.511 14.618 1.00 0.00 H new ATOM 0 HA VAL A 102 18.363 14.001 13.145 1.00 0.00 H new ATOM 0 HB VAL A 102 18.207 12.005 11.525 1.00 0.00 H new ATOM 0 HG11 VAL A 102 19.929 10.760 12.796 1.00 0.00 H new ATOM 0 HG12 VAL A 102 20.189 12.518 12.879 1.00 0.00 H new ATOM 0 HG13 VAL A 102 19.480 11.657 14.266 1.00 0.00 H new ATOM 0 HG21 VAL A 102 17.666 9.838 12.578 1.00 0.00 H new ATOM 0 HG22 VAL A 102 17.131 10.693 14.045 1.00 0.00 H new ATOM 0 HG23 VAL A 102 16.251 10.915 12.514 1.00 0.00 H new