USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 860 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 22 MET CE :methyl 139:sc= -5.51! (180deg=-4.54!) USER MOD Set 1.2: A 74 ASN : amide:sc= -5.22! C(o=-11!,f=-15!) USER MOD Set 1.3: A 77 TYR OH : rot 30:sc= -0.111 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= -0.038 (180deg=-0.606) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -1.61 (180deg=-2.01) USER MOD Single : A 33 TYR OH : rot -124:sc= 0.595 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 40 CYS SG : rot -9:sc= -1.39 USER MOD Single : A 41 LYS NZ :NH3+ -159:sc= -0.446 (180deg=-0.964) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 47 TYR OH : rot 179:sc= -0.466 USER MOD Single : A 48 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= -0.342 (180deg=-1.01) USER MOD Single : A 54 TYR OH : rot -100:sc= 0.0243 USER MOD Single : A 55 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.435) USER MOD Single : A 57 GLN :FLIP amide:sc= -3.65! C(o=-7.9!,f=-3.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= -0.258 (180deg=-0.311) USER MOD Single : A 65 MET CE :methyl 150:sc= -2.49 (180deg=-5.06!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.387 K(o=0.39,f=-4.9!) USER MOD Single : A 73 THR OG1 : rot -169:sc= 0.00286 USER MOD Single : A 76 GLN : amide:sc= -0.815 X(o=-0.81,f=-0.47) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 6:sc= 0.336 USER MOD Single : A 86 TYR OH : rot -161:sc= 0.311 USER MOD Single : A 90 SER OG : rot 7:sc= 1.13 USER MOD Single : A 93 LYS NZ :NH3+ -110:sc= -5.81! (180deg=-8.27!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc=-0.00848 X(o=-0.0085,f=0) USER MOD Single : A 110 SER OG : rot -90:sc= 0.235 USER MOD Single : A 111 LYS NZ :NH3+ 161:sc= -0.0315 (180deg=-0.254) USER MOD Single : A 116 HIS : no HD1:sc= -6.11! C(o=-6.1!,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 8.038 4.307 -12.617 1.00 0.00 N ATOM 67 CA PRO A 8 7.958 2.868 -12.347 1.00 0.00 C ATOM 68 C PRO A 8 6.649 2.478 -11.670 1.00 0.00 C ATOM 69 O PRO A 8 5.958 1.561 -12.114 1.00 0.00 O ATOM 70 CB PRO A 8 9.141 2.618 -11.408 1.00 0.00 C ATOM 71 CG PRO A 8 9.383 3.930 -10.746 1.00 0.00 C ATOM 72 CD PRO A 8 9.032 4.979 -11.764 1.00 0.00 C ATOM 0 HA PRO A 8 7.991 2.278 -13.263 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.910 1.843 -10.678 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.020 2.285 -11.959 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.770 4.034 -9.851 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.423 4.023 -10.433 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.620 5.873 -11.295 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.906 5.293 -12.335 1.00 0.00 H new ATOM 80 N VAL A 9 6.312 3.180 -10.592 1.00 0.00 N ATOM 81 CA VAL A 9 5.084 2.907 -9.855 1.00 0.00 C ATOM 82 C VAL A 9 3.864 3.009 -10.763 1.00 0.00 C ATOM 83 O VAL A 9 3.587 4.063 -11.335 1.00 0.00 O ATOM 84 CB VAL A 9 4.912 3.879 -8.672 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.644 3.557 -7.896 1.00 0.00 C ATOM 86 CG2 VAL A 9 6.131 3.831 -7.762 1.00 0.00 C ATOM 0 H VAL A 9 6.872 3.942 -10.210 1.00 0.00 H new ATOM 0 HA VAL A 9 5.164 1.890 -9.472 1.00 0.00 H new ATOM 0 HB VAL A 9 4.821 4.891 -9.066 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.540 4.254 -7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.781 3.647 -8.556 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.702 2.539 -7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.993 4.524 -6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.256 2.820 -7.374 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.019 4.115 -8.327 1.00 0.00 H new ATOM 96 N LYS A 10 3.135 1.905 -10.890 1.00 0.00 N ATOM 97 CA LYS A 10 1.942 1.868 -11.727 1.00 0.00 C ATOM 98 C LYS A 10 0.765 2.539 -11.027 1.00 0.00 C ATOM 99 O LYS A 10 0.585 2.394 -9.817 1.00 0.00 O ATOM 100 CB LYS A 10 1.584 0.422 -12.077 1.00 0.00 C ATOM 101 CG LYS A 10 0.277 0.286 -12.839 1.00 0.00 C ATOM 102 CD LYS A 10 0.295 -0.917 -13.767 1.00 0.00 C ATOM 103 CE LYS A 10 -1.027 -1.073 -14.503 1.00 0.00 C ATOM 104 NZ LYS A 10 -1.129 -0.146 -15.664 1.00 0.00 N ATOM 0 H LYS A 10 3.350 1.024 -10.423 1.00 0.00 H new ATOM 0 HA LYS A 10 2.156 2.415 -12.645 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.389 -0.009 -12.673 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.521 -0.161 -11.158 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.548 0.190 -12.133 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.097 1.191 -13.419 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.104 -0.809 -14.489 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.501 -1.819 -13.191 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.131 -2.101 -14.849 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.850 -0.884 -13.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.044 -0.284 -16.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.056 0.837 -15.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.358 -0.343 -16.334 1.00 0.00 H new ATOM 118 N VAL A 11 -0.035 3.272 -11.794 1.00 0.00 N ATOM 119 CA VAL A 11 -1.197 3.963 -11.248 1.00 0.00 C ATOM 120 C VAL A 11 -2.469 3.149 -11.454 1.00 0.00 C ATOM 121 O VAL A 11 -2.672 2.552 -12.512 1.00 0.00 O ATOM 122 CB VAL A 11 -1.379 5.351 -11.891 1.00 0.00 C ATOM 123 CG1 VAL A 11 -0.031 6.023 -12.101 1.00 0.00 C ATOM 124 CG2 VAL A 11 -2.136 5.233 -13.205 1.00 0.00 C ATOM 0 H VAL A 11 0.100 3.403 -12.796 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.018 4.086 -10.180 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.966 5.972 -11.214 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.180 7.002 -12.556 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.470 6.142 -11.140 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.584 5.407 -12.757 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.256 6.223 -13.646 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.578 4.595 -13.891 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.118 4.796 -13.021 1.00 0.00 H new ATOM 134 N VAL A 12 -3.324 3.128 -10.436 1.00 0.00 N ATOM 135 CA VAL A 12 -4.578 2.388 -10.507 1.00 0.00 C ATOM 136 C VAL A 12 -5.754 3.256 -10.073 1.00 0.00 C ATOM 137 O VAL A 12 -5.659 4.009 -9.104 1.00 0.00 O ATOM 138 CB VAL A 12 -4.534 1.125 -9.625 1.00 0.00 C ATOM 139 CG1 VAL A 12 -5.896 0.447 -9.596 1.00 0.00 C ATOM 140 CG2 VAL A 12 -3.463 0.166 -10.122 1.00 0.00 C ATOM 0 H VAL A 12 -3.171 3.615 -9.553 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.713 2.092 -11.547 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.280 1.422 -8.607 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.846 -0.443 -8.969 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.637 1.136 -9.190 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.182 0.162 -10.608 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.446 -0.720 -9.488 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.684 -0.126 -11.148 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.490 0.657 -10.086 1.00 0.00 H new ATOM 150 N VAL A 13 -6.863 3.145 -10.798 1.00 0.00 N ATOM 151 CA VAL A 13 -8.059 3.919 -10.488 1.00 0.00 C ATOM 152 C VAL A 13 -9.160 3.027 -9.927 1.00 0.00 C ATOM 153 O VAL A 13 -8.965 1.828 -9.734 1.00 0.00 O ATOM 154 CB VAL A 13 -8.591 4.652 -11.734 1.00 0.00 C ATOM 155 CG1 VAL A 13 -7.573 5.666 -12.233 1.00 0.00 C ATOM 156 CG2 VAL A 13 -8.945 3.656 -12.827 1.00 0.00 C ATOM 0 H VAL A 13 -6.958 2.527 -11.604 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.774 4.655 -9.737 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.498 5.190 -11.458 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.967 6.174 -13.114 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.375 6.398 -11.450 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.647 5.154 -12.493 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.319 4.191 -13.700 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.057 3.088 -13.103 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.713 2.974 -12.463 1.00 0.00 H new ATOM 166 N GLY A 14 -10.321 3.622 -9.667 1.00 0.00 N ATOM 167 CA GLY A 14 -11.438 2.866 -9.131 1.00 0.00 C ATOM 168 C GLY A 14 -12.015 1.892 -10.138 1.00 0.00 C ATOM 169 O GLY A 14 -12.611 0.880 -9.765 1.00 0.00 O ATOM 0 H GLY A 14 -10.507 4.613 -9.818 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.111 2.319 -8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.218 3.556 -8.809 1.00 0.00 H new ATOM 173 N LYS A 15 -11.842 2.196 -11.420 1.00 0.00 N ATOM 174 CA LYS A 15 -12.350 1.340 -12.485 1.00 0.00 C ATOM 175 C LYS A 15 -11.452 0.122 -12.680 1.00 0.00 C ATOM 176 O LYS A 15 -11.898 -0.921 -13.161 1.00 0.00 O ATOM 177 CB LYS A 15 -12.452 2.126 -13.794 1.00 0.00 C ATOM 178 CG LYS A 15 -11.248 1.953 -14.704 1.00 0.00 C ATOM 179 CD LYS A 15 -11.351 2.832 -15.939 1.00 0.00 C ATOM 180 CE LYS A 15 -9.980 3.123 -16.532 1.00 0.00 C ATOM 181 NZ LYS A 15 -10.075 3.945 -17.769 1.00 0.00 N ATOM 0 H LYS A 15 -11.353 3.030 -11.747 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.343 0.995 -12.197 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.348 1.811 -14.328 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.574 3.184 -13.564 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.338 2.199 -14.156 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.166 0.909 -15.005 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.975 2.341 -16.686 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.843 3.769 -15.680 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.369 3.644 -15.795 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.475 2.184 -16.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.121 4.122 -18.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.637 3.437 -18.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.534 4.852 -17.549 1.00 0.00 H new ATOM 195 N THR A 16 -10.185 0.260 -12.304 1.00 0.00 N ATOM 196 CA THR A 16 -9.225 -0.828 -12.437 1.00 0.00 C ATOM 197 C THR A 16 -8.619 -1.195 -11.087 1.00 0.00 C ATOM 198 O THR A 16 -7.523 -1.751 -11.018 1.00 0.00 O ATOM 199 CB THR A 16 -8.091 -0.461 -13.413 1.00 0.00 C ATOM 200 OG1 THR A 16 -7.331 0.634 -12.891 1.00 0.00 O ATOM 201 CG2 THR A 16 -8.652 -0.092 -14.778 1.00 0.00 C ATOM 0 H THR A 16 -9.799 1.116 -11.904 1.00 0.00 H new ATOM 0 HA THR A 16 -9.771 -1.684 -12.832 1.00 0.00 H new ATOM 0 HB THR A 16 -7.443 -1.330 -13.527 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.611 0.860 -13.516 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.833 0.164 -15.451 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.205 -0.938 -15.185 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.320 0.764 -14.678 1.00 0.00 H new ATOM 209 N PHE A 17 -9.339 -0.880 -10.015 1.00 0.00 N ATOM 210 CA PHE A 17 -8.872 -1.177 -8.666 1.00 0.00 C ATOM 211 C PHE A 17 -9.141 -2.635 -8.305 1.00 0.00 C ATOM 212 O PHE A 17 -8.276 -3.321 -7.760 1.00 0.00 O ATOM 213 CB PHE A 17 -9.553 -0.255 -7.653 1.00 0.00 C ATOM 214 CG PHE A 17 -9.216 -0.579 -6.226 1.00 0.00 C ATOM 215 CD1 PHE A 17 -9.671 -1.749 -5.641 1.00 0.00 C ATOM 216 CD2 PHE A 17 -8.444 0.288 -5.469 1.00 0.00 C ATOM 217 CE1 PHE A 17 -9.362 -2.051 -4.328 1.00 0.00 C ATOM 218 CE2 PHE A 17 -8.131 -0.008 -4.156 1.00 0.00 C ATOM 219 CZ PHE A 17 -8.592 -1.178 -3.584 1.00 0.00 C ATOM 0 H PHE A 17 -10.248 -0.419 -10.055 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.796 -1.007 -8.636 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.265 0.776 -7.861 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.633 -0.317 -7.786 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.275 -2.434 -6.218 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.083 1.205 -5.910 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.722 -2.968 -3.885 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.526 0.675 -3.577 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.351 -1.410 -2.557 1.00 0.00 H new ATOM 229 N ASP A 18 -10.346 -3.101 -8.614 1.00 0.00 N ATOM 230 CA ASP A 18 -10.731 -4.478 -8.323 1.00 0.00 C ATOM 231 C ASP A 18 -10.099 -5.441 -9.323 1.00 0.00 C ATOM 232 O ASP A 18 -10.190 -6.659 -9.169 1.00 0.00 O ATOM 233 CB ASP A 18 -12.253 -4.621 -8.350 1.00 0.00 C ATOM 234 CG ASP A 18 -12.888 -4.314 -7.008 1.00 0.00 C ATOM 235 OD1 ASP A 18 -12.597 -3.237 -6.446 1.00 0.00 O ATOM 236 OD2 ASP A 18 -13.675 -5.151 -6.519 1.00 0.00 O ATOM 0 H ASP A 18 -11.073 -2.546 -9.066 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.368 -4.728 -7.326 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.664 -3.951 -9.105 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.514 -5.636 -8.648 1.00 0.00 H new ATOM 241 N ALA A 19 -9.460 -4.887 -10.348 1.00 0.00 N ATOM 242 CA ALA A 19 -8.812 -5.697 -11.372 1.00 0.00 C ATOM 243 C ALA A 19 -7.315 -5.821 -11.109 1.00 0.00 C ATOM 244 O ALA A 19 -6.732 -6.892 -11.278 1.00 0.00 O ATOM 245 CB ALA A 19 -9.061 -5.102 -12.750 1.00 0.00 C ATOM 0 H ALA A 19 -9.377 -3.881 -10.491 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.244 -6.697 -11.337 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.572 -5.717 -13.506 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.133 -5.072 -12.945 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.657 -4.090 -12.788 1.00 0.00 H new ATOM 251 N ILE A 20 -6.699 -4.718 -10.696 1.00 0.00 N ATOM 252 CA ILE A 20 -5.269 -4.705 -10.410 1.00 0.00 C ATOM 253 C ILE A 20 -5.005 -4.906 -8.922 1.00 0.00 C ATOM 254 O ILE A 20 -4.504 -5.950 -8.504 1.00 0.00 O ATOM 255 CB ILE A 20 -4.617 -3.385 -10.862 1.00 0.00 C ATOM 256 CG1 ILE A 20 -4.785 -3.199 -12.371 1.00 0.00 C ATOM 257 CG2 ILE A 20 -3.145 -3.364 -10.481 1.00 0.00 C ATOM 258 CD1 ILE A 20 -4.395 -1.820 -12.857 1.00 0.00 C ATOM 0 H ILE A 20 -7.167 -3.823 -10.552 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.827 -5.529 -10.970 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.115 -2.558 -10.355 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.181 -3.943 -12.890 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.824 -3.389 -12.639 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.698 -2.425 -10.807 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.048 -3.456 -9.399 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.632 -4.196 -10.963 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.540 -1.760 -13.936 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.017 -1.072 -12.365 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.347 -1.634 -12.620 1.00 0.00 H new ATOM 270 N VAL A 21 -5.347 -3.899 -8.124 1.00 0.00 N ATOM 271 CA VAL A 21 -5.149 -3.965 -6.681 1.00 0.00 C ATOM 272 C VAL A 21 -5.722 -5.257 -6.107 1.00 0.00 C ATOM 273 O VAL A 21 -5.207 -5.793 -5.127 1.00 0.00 O ATOM 274 CB VAL A 21 -5.803 -2.766 -5.969 1.00 0.00 C ATOM 275 CG1 VAL A 21 -5.495 -2.797 -4.480 1.00 0.00 C ATOM 276 CG2 VAL A 21 -5.337 -1.459 -6.592 1.00 0.00 C ATOM 0 H VAL A 21 -5.763 -3.028 -8.453 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.073 -3.938 -6.507 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.884 -2.836 -6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.965 -1.942 -3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.883 -3.719 -4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.416 -2.751 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.809 -0.622 -6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.254 -1.378 -6.500 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.614 -1.439 -7.646 1.00 0.00 H new ATOM 286 N MET A 22 -6.789 -5.751 -6.725 1.00 0.00 N ATOM 287 CA MET A 22 -7.431 -6.981 -6.277 1.00 0.00 C ATOM 288 C MET A 22 -7.161 -8.122 -7.252 1.00 0.00 C ATOM 289 O MET A 22 -8.044 -8.931 -7.536 1.00 0.00 O ATOM 290 CB MET A 22 -8.938 -6.769 -6.126 1.00 0.00 C ATOM 291 CG MET A 22 -9.307 -5.780 -5.032 1.00 0.00 C ATOM 292 SD MET A 22 -9.178 -6.491 -3.380 1.00 0.00 S ATOM 293 CE MET A 22 -8.599 -5.076 -2.447 1.00 0.00 C ATOM 0 H MET A 22 -7.228 -5.318 -7.538 1.00 0.00 H new ATOM 0 HA MET A 22 -7.010 -7.249 -5.308 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.344 -6.417 -7.074 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.412 -7.727 -5.913 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.655 -4.909 -5.100 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.326 -5.429 -5.194 1.00 0.00 H new ATOM 0 HE1 MET A 22 -9.111 -5.040 -1.485 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.525 -5.163 -2.283 1.00 0.00 H new ATOM 0 HE3 MET A 22 -8.808 -4.163 -3.004 1.00 0.00 H new ATOM 303 N ASP A 23 -5.936 -8.180 -7.763 1.00 0.00 N ATOM 304 CA ASP A 23 -5.549 -9.223 -8.706 1.00 0.00 C ATOM 305 C ASP A 23 -5.021 -10.452 -7.972 1.00 0.00 C ATOM 306 O ASP A 23 -3.927 -10.445 -7.408 1.00 0.00 O ATOM 307 CB ASP A 23 -4.489 -8.697 -9.675 1.00 0.00 C ATOM 308 CG ASP A 23 -4.508 -9.423 -11.005 1.00 0.00 C ATOM 309 OD1 ASP A 23 -5.614 -9.686 -11.522 1.00 0.00 O ATOM 310 OD2 ASP A 23 -3.417 -9.729 -11.529 1.00 0.00 O ATOM 0 H ASP A 23 -5.194 -7.517 -7.540 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.434 -9.513 -9.271 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.651 -7.632 -9.843 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.503 -8.801 -9.222 1.00 0.00 H new ATOM 315 N PRO A 24 -5.816 -11.532 -7.978 1.00 0.00 N ATOM 316 CA PRO A 24 -5.450 -12.788 -7.317 1.00 0.00 C ATOM 317 C PRO A 24 -4.306 -13.504 -8.026 1.00 0.00 C ATOM 318 O PRO A 24 -3.922 -14.611 -7.647 1.00 0.00 O ATOM 319 CB PRO A 24 -6.733 -13.618 -7.397 1.00 0.00 C ATOM 320 CG PRO A 24 -7.461 -13.077 -8.579 1.00 0.00 C ATOM 321 CD PRO A 24 -7.133 -11.611 -8.631 1.00 0.00 C ATOM 0 HA PRO A 24 -5.095 -12.625 -6.299 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.512 -14.678 -7.520 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.326 -13.519 -6.488 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.148 -13.580 -9.494 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.535 -13.233 -8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.095 -11.244 -9.657 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.878 -11.014 -8.106 1.00 0.00 H new ATOM 329 N LYS A 25 -3.764 -12.867 -9.059 1.00 0.00 N ATOM 330 CA LYS A 25 -2.662 -13.442 -9.821 1.00 0.00 C ATOM 331 C LYS A 25 -1.319 -13.066 -9.204 1.00 0.00 C ATOM 332 O LYS A 25 -0.314 -13.745 -9.417 1.00 0.00 O ATOM 333 CB LYS A 25 -2.719 -12.967 -11.275 1.00 0.00 C ATOM 334 CG LYS A 25 -3.949 -13.448 -12.025 1.00 0.00 C ATOM 335 CD LYS A 25 -3.684 -13.560 -13.517 1.00 0.00 C ATOM 336 CE LYS A 25 -3.170 -14.942 -13.889 1.00 0.00 C ATOM 337 NZ LYS A 25 -1.684 -15.016 -13.827 1.00 0.00 N ATOM 0 H LYS A 25 -4.071 -11.951 -9.388 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.762 -14.527 -9.795 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.696 -11.877 -11.293 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.827 -13.314 -11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.257 -14.418 -11.636 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.775 -12.758 -11.852 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.601 -13.352 -14.067 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.955 -12.807 -13.816 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.599 -15.683 -13.214 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.505 -15.195 -14.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.351 -15.803 -14.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.277 -14.124 -14.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.385 -15.173 -12.843 1.00 0.00 H new ATOM 351 N LYS A 26 -1.308 -11.980 -8.438 1.00 0.00 N ATOM 352 CA LYS A 26 -0.089 -11.515 -7.787 1.00 0.00 C ATOM 353 C LYS A 26 -0.403 -10.448 -6.743 1.00 0.00 C ATOM 354 O LYS A 26 -1.384 -9.715 -6.867 1.00 0.00 O ATOM 355 CB LYS A 26 0.886 -10.956 -8.825 1.00 0.00 C ATOM 356 CG LYS A 26 0.360 -9.735 -9.559 1.00 0.00 C ATOM 357 CD LYS A 26 1.489 -8.918 -10.165 1.00 0.00 C ATOM 358 CE LYS A 26 1.996 -9.539 -11.457 1.00 0.00 C ATOM 359 NZ LYS A 26 3.037 -8.697 -12.107 1.00 0.00 N ATOM 0 H LYS A 26 -2.130 -11.405 -8.253 1.00 0.00 H new ATOM 0 HA LYS A 26 0.372 -12.365 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.821 -10.696 -8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.116 -11.735 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.325 -10.050 -10.346 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.211 -9.113 -8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.141 -7.904 -10.360 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.309 -8.842 -9.450 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.407 -10.527 -11.248 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.162 -9.679 -12.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.488 -9.234 -12.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.596 -7.839 -12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.755 -8.429 -11.404 1.00 0.00 H new ATOM 373 N ASP A 27 0.436 -10.367 -5.716 1.00 0.00 N ATOM 374 CA ASP A 27 0.249 -9.388 -4.652 1.00 0.00 C ATOM 375 C ASP A 27 0.549 -7.978 -5.152 1.00 0.00 C ATOM 376 O ASP A 27 1.654 -7.694 -5.615 1.00 0.00 O ATOM 377 CB ASP A 27 1.147 -9.721 -3.460 1.00 0.00 C ATOM 378 CG ASP A 27 1.246 -11.213 -3.209 1.00 0.00 C ATOM 379 OD1 ASP A 27 0.276 -11.933 -3.524 1.00 0.00 O ATOM 380 OD2 ASP A 27 2.294 -11.661 -2.697 1.00 0.00 O ATOM 0 H ASP A 27 1.252 -10.968 -5.598 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.793 -9.428 -4.334 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.144 -9.318 -3.636 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.758 -9.230 -2.568 1.00 0.00 H new ATOM 385 N VAL A 28 -0.443 -7.098 -5.056 1.00 0.00 N ATOM 386 CA VAL A 28 -0.285 -5.717 -5.498 1.00 0.00 C ATOM 387 C VAL A 28 -0.312 -4.755 -4.316 1.00 0.00 C ATOM 388 O VAL A 28 -1.229 -4.789 -3.494 1.00 0.00 O ATOM 389 CB VAL A 28 -1.389 -5.318 -6.495 1.00 0.00 C ATOM 390 CG1 VAL A 28 -1.246 -3.857 -6.894 1.00 0.00 C ATOM 391 CG2 VAL A 28 -1.352 -6.220 -7.720 1.00 0.00 C ATOM 0 H VAL A 28 -1.364 -7.317 -4.676 1.00 0.00 H new ATOM 0 HA VAL A 28 0.684 -5.652 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.356 -5.444 -6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.035 -3.593 -7.599 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.327 -3.228 -6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.274 -3.701 -7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.139 -5.924 -8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.383 -6.128 -8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.508 -7.255 -7.415 1.00 0.00 H new ATOM 401 N LEU A 29 0.700 -3.898 -4.236 1.00 0.00 N ATOM 402 CA LEU A 29 0.793 -2.924 -3.153 1.00 0.00 C ATOM 403 C LEU A 29 0.212 -1.580 -3.579 1.00 0.00 C ATOM 404 O LEU A 29 0.852 -0.816 -4.301 1.00 0.00 O ATOM 405 CB LEU A 29 2.251 -2.749 -2.723 1.00 0.00 C ATOM 406 CG LEU A 29 2.495 -1.795 -1.554 1.00 0.00 C ATOM 407 CD1 LEU A 29 2.210 -2.488 -0.231 1.00 0.00 C ATOM 408 CD2 LEU A 29 3.922 -1.267 -1.585 1.00 0.00 C ATOM 0 H LEU A 29 1.467 -3.857 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 29 0.214 -3.298 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.651 -3.728 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.822 -2.394 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 29 1.814 -0.950 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.389 -1.793 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.171 -2.816 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.865 -3.352 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.078 -0.589 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.620 -2.101 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.092 -0.732 -2.519 1.00 0.00 H new ATOM 420 N ILE A 30 -1.005 -1.297 -3.124 1.00 0.00 N ATOM 421 CA ILE A 30 -1.671 -0.043 -3.455 1.00 0.00 C ATOM 422 C ILE A 30 -1.380 1.027 -2.408 1.00 0.00 C ATOM 423 O ILE A 30 -1.476 0.776 -1.207 1.00 0.00 O ATOM 424 CB ILE A 30 -3.195 -0.230 -3.572 1.00 0.00 C ATOM 425 CG1 ILE A 30 -3.844 1.036 -4.137 1.00 0.00 C ATOM 426 CG2 ILE A 30 -3.792 -0.578 -2.216 1.00 0.00 C ATOM 427 CD1 ILE A 30 -3.431 1.343 -5.559 1.00 0.00 C ATOM 0 H ILE A 30 -1.549 -1.919 -2.526 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.277 0.279 -4.419 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.394 -1.054 -4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.928 0.928 -4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.585 1.882 -3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.870 -0.707 -2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.348 -1.504 -1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.586 0.227 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.929 2.253 -5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.351 1.484 -5.602 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.715 0.514 -6.207 1.00 0.00 H new ATOM 439 N GLU A 31 -1.024 2.220 -2.873 1.00 0.00 N ATOM 440 CA GLU A 31 -0.720 3.329 -1.976 1.00 0.00 C ATOM 441 C GLU A 31 -1.621 4.526 -2.266 1.00 0.00 C ATOM 442 O GLU A 31 -1.456 5.210 -3.277 1.00 0.00 O ATOM 443 CB GLU A 31 0.748 3.737 -2.112 1.00 0.00 C ATOM 444 CG GLU A 31 1.026 5.167 -1.682 1.00 0.00 C ATOM 445 CD GLU A 31 0.858 5.370 -0.189 1.00 0.00 C ATOM 446 OE1 GLU A 31 0.133 4.571 0.440 1.00 0.00 O ATOM 447 OE2 GLU A 31 1.451 6.328 0.351 1.00 0.00 O ATOM 0 H GLU A 31 -0.939 2.443 -3.865 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.904 2.997 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.361 3.062 -1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.056 3.613 -3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.042 5.438 -1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.354 5.840 -2.214 1.00 0.00 H new ATOM 454 N PHE A 32 -2.573 4.773 -1.373 1.00 0.00 N ATOM 455 CA PHE A 32 -3.501 5.887 -1.533 1.00 0.00 C ATOM 456 C PHE A 32 -2.823 7.212 -1.200 1.00 0.00 C ATOM 457 O PHE A 32 -2.553 7.509 -0.035 1.00 0.00 O ATOM 458 CB PHE A 32 -4.727 5.689 -0.639 1.00 0.00 C ATOM 459 CG PHE A 32 -5.472 4.415 -0.917 1.00 0.00 C ATOM 460 CD1 PHE A 32 -6.130 4.230 -2.123 1.00 0.00 C ATOM 461 CD2 PHE A 32 -5.516 3.402 0.028 1.00 0.00 C ATOM 462 CE1 PHE A 32 -6.816 3.059 -2.382 1.00 0.00 C ATOM 463 CE2 PHE A 32 -6.201 2.229 -0.226 1.00 0.00 C ATOM 464 CZ PHE A 32 -6.853 2.057 -1.432 1.00 0.00 C ATOM 0 H PHE A 32 -2.723 4.217 -0.531 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.820 5.915 -2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.411 5.695 0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.404 6.533 -0.772 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.106 5.011 -2.869 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.009 3.531 0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.323 2.927 -3.327 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.227 1.447 0.518 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.390 1.142 -1.631 1.00 0.00 H new ATOM 474 N TYR A 33 -2.550 8.006 -2.229 1.00 0.00 N ATOM 475 CA TYR A 33 -1.901 9.298 -2.048 1.00 0.00 C ATOM 476 C TYR A 33 -2.872 10.440 -2.333 1.00 0.00 C ATOM 477 O TYR A 33 -3.825 10.284 -3.095 1.00 0.00 O ATOM 478 CB TYR A 33 -0.680 9.412 -2.961 1.00 0.00 C ATOM 479 CG TYR A 33 -1.030 9.558 -4.425 1.00 0.00 C ATOM 480 CD1 TYR A 33 -1.399 10.790 -4.951 1.00 0.00 C ATOM 481 CD2 TYR A 33 -0.992 8.465 -5.281 1.00 0.00 C ATOM 482 CE1 TYR A 33 -1.720 10.928 -6.288 1.00 0.00 C ATOM 483 CE2 TYR A 33 -1.310 8.594 -6.619 1.00 0.00 C ATOM 484 CZ TYR A 33 -1.674 9.827 -7.118 1.00 0.00 C ATOM 485 OH TYR A 33 -1.993 9.960 -8.449 1.00 0.00 O ATOM 0 H TYR A 33 -2.769 7.777 -3.199 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.577 9.371 -1.010 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.084 10.270 -2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.056 8.528 -2.832 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.436 11.654 -4.304 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.709 7.497 -4.894 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.005 11.893 -6.681 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.274 7.734 -7.271 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.712 9.334 -8.677 1.00 0.00 H new ATOM 495 N ALA A 34 -2.621 11.590 -1.715 1.00 0.00 N ATOM 496 CA ALA A 34 -3.470 12.760 -1.903 1.00 0.00 C ATOM 497 C ALA A 34 -2.681 13.920 -2.501 1.00 0.00 C ATOM 498 O ALA A 34 -1.623 14.305 -2.002 1.00 0.00 O ATOM 499 CB ALA A 34 -4.100 13.173 -0.581 1.00 0.00 C ATOM 0 H ALA A 34 -1.836 11.736 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.262 12.495 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.731 14.048 -0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.705 12.353 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.316 13.414 0.136 1.00 0.00 H new ATOM 505 N PRO A 35 -3.204 14.491 -3.596 1.00 0.00 N ATOM 506 CA PRO A 35 -2.565 15.615 -4.285 1.00 0.00 C ATOM 507 C PRO A 35 -2.618 16.902 -3.468 1.00 0.00 C ATOM 508 O PRO A 35 -2.179 17.957 -3.926 1.00 0.00 O ATOM 509 CB PRO A 35 -3.389 15.761 -5.567 1.00 0.00 C ATOM 510 CG PRO A 35 -4.723 15.192 -5.226 1.00 0.00 C ATOM 511 CD PRO A 35 -4.462 14.083 -4.244 1.00 0.00 C ATOM 0 HA PRO A 35 -1.505 15.434 -4.462 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.469 16.805 -5.869 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.929 15.223 -6.396 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.372 15.953 -4.792 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.225 14.814 -6.117 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.273 13.986 -3.522 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.363 13.119 -4.743 1.00 0.00 H new ATOM 519 N TRP A 36 -3.159 16.807 -2.259 1.00 0.00 N ATOM 520 CA TRP A 36 -3.269 17.965 -1.379 1.00 0.00 C ATOM 521 C TRP A 36 -2.501 17.737 -0.081 1.00 0.00 C ATOM 522 O TRP A 36 -2.771 18.384 0.932 1.00 0.00 O ATOM 523 CB TRP A 36 -4.738 18.260 -1.072 1.00 0.00 C ATOM 524 CG TRP A 36 -5.559 17.026 -0.853 1.00 0.00 C ATOM 525 CD1 TRP A 36 -6.385 16.420 -1.755 1.00 0.00 C ATOM 526 CD2 TRP A 36 -5.633 16.248 0.347 1.00 0.00 C ATOM 527 NE1 TRP A 36 -6.969 15.312 -1.189 1.00 0.00 N ATOM 528 CE2 TRP A 36 -6.523 15.184 0.100 1.00 0.00 C ATOM 529 CE3 TRP A 36 -5.033 16.345 1.605 1.00 0.00 C ATOM 530 CZ2 TRP A 36 -6.826 14.228 1.065 1.00 0.00 C ATOM 531 CZ3 TRP A 36 -5.335 15.395 2.563 1.00 0.00 C ATOM 532 CH2 TRP A 36 -6.224 14.348 2.288 1.00 0.00 C ATOM 0 H TRP A 36 -3.528 15.941 -1.866 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.833 18.823 -1.891 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.797 18.889 -0.184 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.166 18.831 -1.896 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.555 16.761 -2.766 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.628 14.687 -1.653 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.345 17.148 1.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.512 13.420 0.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.878 15.461 3.539 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.439 13.621 3.057 1.00 0.00 H new ATOM 543 N CYS A 37 -1.545 16.816 -0.118 1.00 0.00 N ATOM 544 CA CYS A 37 -0.739 16.503 1.056 1.00 0.00 C ATOM 545 C CYS A 37 0.748 16.651 0.750 1.00 0.00 C ATOM 546 O CYS A 37 1.271 16.012 -0.162 1.00 0.00 O ATOM 547 CB CYS A 37 -1.034 15.082 1.539 1.00 0.00 C ATOM 548 SG CYS A 37 -0.155 14.618 3.049 1.00 0.00 S ATOM 0 H CYS A 37 -1.309 16.273 -0.948 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.001 17.208 1.845 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.106 14.983 1.711 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.772 14.379 0.748 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.471 13.401 3.379 1.00 0.00 H new ATOM 554 N GLY A 38 1.423 17.500 1.518 1.00 0.00 N ATOM 555 CA GLY A 38 2.843 17.719 1.313 1.00 0.00 C ATOM 556 C GLY A 38 3.675 16.503 1.672 1.00 0.00 C ATOM 557 O GLY A 38 4.565 16.106 0.920 1.00 0.00 O ATOM 0 H GLY A 38 1.012 18.041 2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.020 17.982 0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.167 18.568 1.915 1.00 0.00 H new ATOM 561 N HIS A 39 3.387 15.912 2.827 1.00 0.00 N ATOM 562 CA HIS A 39 4.116 14.735 3.286 1.00 0.00 C ATOM 563 C HIS A 39 4.170 13.670 2.195 1.00 0.00 C ATOM 564 O HIS A 39 4.976 12.741 2.261 1.00 0.00 O ATOM 565 CB HIS A 39 3.461 14.161 4.543 1.00 0.00 C ATOM 566 CG HIS A 39 3.257 15.174 5.628 1.00 0.00 C ATOM 567 ND1 HIS A 39 4.285 15.657 6.409 1.00 0.00 N ATOM 568 CD2 HIS A 39 2.134 15.796 6.058 1.00 0.00 C ATOM 569 CE1 HIS A 39 3.804 16.532 7.275 1.00 0.00 C ATOM 570 NE2 HIS A 39 2.501 16.634 7.082 1.00 0.00 N ATOM 0 H HIS A 39 2.654 16.229 3.462 1.00 0.00 H new ATOM 0 HA HIS A 39 5.135 15.039 3.523 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.497 13.728 4.275 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.079 13.349 4.927 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.136 15.659 5.668 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.378 17.071 8.014 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.870 17.238 7.609 1.00 0.00 H new ATOM 579 N CYS A 40 3.309 13.811 1.194 1.00 0.00 N ATOM 580 CA CYS A 40 3.258 12.860 0.090 1.00 0.00 C ATOM 581 C CYS A 40 4.281 13.217 -0.983 1.00 0.00 C ATOM 582 O CYS A 40 4.869 12.338 -1.614 1.00 0.00 O ATOM 583 CB CYS A 40 1.854 12.827 -0.518 1.00 0.00 C ATOM 584 SG CYS A 40 1.761 11.984 -2.115 1.00 0.00 S ATOM 0 H CYS A 40 2.637 14.575 1.124 1.00 0.00 H new ATOM 0 HA CYS A 40 3.500 11.872 0.483 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.178 12.334 0.181 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.497 13.850 -0.638 1.00 0.00 H new ATOM 0 HG CYS A 40 2.962 11.725 -2.540 1.00 0.00 H new ATOM 590 N LYS A 41 4.488 14.514 -1.187 1.00 0.00 N ATOM 591 CA LYS A 41 5.440 14.989 -2.184 1.00 0.00 C ATOM 592 C LYS A 41 6.846 14.483 -1.879 1.00 0.00 C ATOM 593 O LYS A 41 7.599 14.131 -2.787 1.00 0.00 O ATOM 594 CB LYS A 41 5.437 16.519 -2.233 1.00 0.00 C ATOM 595 CG LYS A 41 6.457 17.159 -1.306 1.00 0.00 C ATOM 596 CD LYS A 41 6.539 18.661 -1.519 1.00 0.00 C ATOM 597 CE LYS A 41 5.447 19.393 -0.754 1.00 0.00 C ATOM 598 NZ LYS A 41 4.203 19.535 -1.560 1.00 0.00 N ATOM 0 H LYS A 41 4.009 15.255 -0.675 1.00 0.00 H new ATOM 0 HA LYS A 41 5.136 14.599 -3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.634 16.842 -3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.443 16.881 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.189 16.952 -0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.436 16.712 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.515 19.022 -1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.452 18.884 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.224 18.853 0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.806 20.380 -0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.629 20.314 -1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.452 19.740 -2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.658 18.650 -1.516 1.00 0.00 H new ATOM 612 N GLN A 42 7.192 14.446 -0.596 1.00 0.00 N ATOM 613 CA GLN A 42 8.508 13.981 -0.173 1.00 0.00 C ATOM 614 C GLN A 42 8.652 12.480 -0.396 1.00 0.00 C ATOM 615 O GLN A 42 9.762 11.967 -0.544 1.00 0.00 O ATOM 616 CB GLN A 42 8.740 14.314 1.301 1.00 0.00 C ATOM 617 CG GLN A 42 8.175 13.275 2.256 1.00 0.00 C ATOM 618 CD GLN A 42 8.534 13.555 3.702 1.00 0.00 C ATOM 619 OE1 GLN A 42 8.518 14.703 4.147 1.00 0.00 O ATOM 620 NE2 GLN A 42 8.860 12.504 4.445 1.00 0.00 N ATOM 0 H GLN A 42 6.580 14.732 0.168 1.00 0.00 H new ATOM 0 HA GLN A 42 9.258 14.493 -0.776 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.811 14.414 1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.289 15.281 1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.090 13.245 2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.548 12.290 1.977 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.860 11.570 4.035 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.110 12.631 5.426 1.00 0.00 H new ATOM 629 N LEU A 43 7.524 11.779 -0.419 1.00 0.00 N ATOM 630 CA LEU A 43 7.524 10.335 -0.624 1.00 0.00 C ATOM 631 C LEU A 43 7.549 9.996 -2.111 1.00 0.00 C ATOM 632 O LEU A 43 7.923 8.889 -2.498 1.00 0.00 O ATOM 633 CB LEU A 43 6.294 9.706 0.033 1.00 0.00 C ATOM 634 CG LEU A 43 6.110 8.204 -0.184 1.00 0.00 C ATOM 635 CD1 LEU A 43 6.987 7.415 0.776 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.649 7.815 -0.017 1.00 0.00 C ATOM 0 H LEU A 43 6.597 12.187 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 43 8.423 9.928 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.344 9.894 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.407 10.218 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 43 6.414 7.964 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.843 6.348 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.033 7.671 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.715 7.660 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.538 6.742 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.317 8.070 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.043 8.354 -0.746 1.00 0.00 H new ATOM 648 N GLU A 44 7.149 10.956 -2.939 1.00 0.00 N ATOM 649 CA GLU A 44 7.128 10.759 -4.383 1.00 0.00 C ATOM 650 C GLU A 44 8.319 9.920 -4.836 1.00 0.00 C ATOM 651 O GLU A 44 8.169 8.867 -5.457 1.00 0.00 O ATOM 652 CB GLU A 44 7.137 12.108 -5.105 1.00 0.00 C ATOM 653 CG GLU A 44 5.748 12.662 -5.378 1.00 0.00 C ATOM 654 CD GLU A 44 5.681 13.460 -6.665 1.00 0.00 C ATOM 655 OE1 GLU A 44 6.533 14.352 -6.856 1.00 0.00 O ATOM 656 OE2 GLU A 44 4.775 13.191 -7.482 1.00 0.00 O ATOM 0 H GLU A 44 6.835 11.877 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 44 6.212 10.225 -4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.695 12.828 -4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.669 12.001 -6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.036 11.838 -5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.444 13.296 -4.545 1.00 0.00 H new ATOM 663 N PRO A 45 9.532 10.396 -4.518 1.00 0.00 N ATOM 664 CA PRO A 45 10.773 9.706 -4.882 1.00 0.00 C ATOM 665 C PRO A 45 10.968 8.412 -4.099 1.00 0.00 C ATOM 666 O PRO A 45 11.428 7.409 -4.645 1.00 0.00 O ATOM 667 CB PRO A 45 11.862 10.720 -4.520 1.00 0.00 C ATOM 668 CG PRO A 45 11.252 11.566 -3.457 1.00 0.00 C ATOM 669 CD PRO A 45 9.785 11.644 -3.779 1.00 0.00 C ATOM 0 HA PRO A 45 10.781 9.407 -5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.763 10.222 -4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 45 12.150 11.317 -5.385 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.412 11.129 -2.471 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.702 12.559 -3.443 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.178 11.706 -2.876 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.552 12.522 -4.381 1.00 0.00 H new ATOM 677 N ILE A 46 10.616 8.443 -2.818 1.00 0.00 N ATOM 678 CA ILE A 46 10.752 7.271 -1.961 1.00 0.00 C ATOM 679 C ILE A 46 9.972 6.087 -2.522 1.00 0.00 C ATOM 680 O ILE A 46 10.436 4.947 -2.476 1.00 0.00 O ATOM 681 CB ILE A 46 10.263 7.561 -0.530 1.00 0.00 C ATOM 682 CG1 ILE A 46 11.065 8.711 0.083 1.00 0.00 C ATOM 683 CG2 ILE A 46 10.374 6.312 0.331 1.00 0.00 C ATOM 684 CD1 ILE A 46 10.422 9.307 1.316 1.00 0.00 C ATOM 0 H ILE A 46 10.235 9.266 -2.351 1.00 0.00 H new ATOM 0 HA ILE A 46 11.813 7.023 -1.931 1.00 0.00 H new ATOM 0 HB ILE A 46 9.215 7.857 -0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.061 8.352 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.192 9.494 -0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.025 6.533 1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.763 5.518 -0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.414 5.988 0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.045 10.116 1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.437 9.697 1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.320 8.537 2.081 1.00 0.00 H new ATOM 696 N TYR A 47 8.787 6.364 -3.054 1.00 0.00 N ATOM 697 CA TYR A 47 7.942 5.322 -3.624 1.00 0.00 C ATOM 698 C TYR A 47 8.413 4.945 -5.026 1.00 0.00 C ATOM 699 O TYR A 47 8.421 3.771 -5.397 1.00 0.00 O ATOM 700 CB TYR A 47 6.485 5.785 -3.671 1.00 0.00 C ATOM 701 CG TYR A 47 5.487 4.660 -3.517 1.00 0.00 C ATOM 702 CD1 TYR A 47 5.513 3.828 -2.405 1.00 0.00 C ATOM 703 CD2 TYR A 47 4.516 4.430 -4.484 1.00 0.00 C ATOM 704 CE1 TYR A 47 4.603 2.799 -2.261 1.00 0.00 C ATOM 705 CE2 TYR A 47 3.601 3.404 -4.348 1.00 0.00 C ATOM 706 CZ TYR A 47 3.649 2.591 -3.235 1.00 0.00 C ATOM 707 OH TYR A 47 2.740 1.567 -3.094 1.00 0.00 O ATOM 0 H TYR A 47 8.390 7.302 -3.102 1.00 0.00 H new ATOM 0 HA TYR A 47 8.015 4.441 -2.986 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.319 6.517 -2.881 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.304 6.293 -4.618 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.258 3.989 -1.640 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.476 5.064 -5.357 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.638 2.161 -1.390 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.852 3.239 -5.109 1.00 0.00 H new ATOM 0 HH TYR A 47 2.126 1.567 -3.858 1.00 0.00 H new ATOM 717 N THR A 48 8.805 5.951 -5.802 1.00 0.00 N ATOM 718 CA THR A 48 9.277 5.728 -7.162 1.00 0.00 C ATOM 719 C THR A 48 10.268 4.571 -7.218 1.00 0.00 C ATOM 720 O THR A 48 10.052 3.589 -7.928 1.00 0.00 O ATOM 721 CB THR A 48 9.945 6.990 -7.739 1.00 0.00 C ATOM 722 OG1 THR A 48 8.977 8.036 -7.881 1.00 0.00 O ATOM 723 CG2 THR A 48 10.582 6.696 -9.089 1.00 0.00 C ATOM 0 H THR A 48 8.805 6.929 -5.511 1.00 0.00 H new ATOM 0 HA THR A 48 8.402 5.482 -7.763 1.00 0.00 H new ATOM 0 HB THR A 48 10.725 7.309 -7.048 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.862 8.494 -7.022 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.047 7.602 -9.477 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.339 5.920 -8.973 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.817 6.355 -9.786 1.00 0.00 H new ATOM 731 N SER A 49 11.356 4.693 -6.464 1.00 0.00 N ATOM 732 CA SER A 49 12.383 3.659 -6.430 1.00 0.00 C ATOM 733 C SER A 49 11.817 2.349 -5.890 1.00 0.00 C ATOM 734 O SER A 49 12.071 1.276 -6.438 1.00 0.00 O ATOM 735 CB SER A 49 13.564 4.111 -5.569 1.00 0.00 C ATOM 736 OG SER A 49 14.240 5.204 -6.164 1.00 0.00 O ATOM 0 H SER A 49 11.549 5.498 -5.868 1.00 0.00 H new ATOM 0 HA SER A 49 12.729 3.492 -7.450 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.208 4.395 -4.579 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.257 3.281 -5.433 1.00 0.00 H new ATOM 0 HG SER A 49 14.989 5.475 -5.593 1.00 0.00 H new ATOM 742 N LEU A 50 11.047 2.445 -4.811 1.00 0.00 N ATOM 743 CA LEU A 50 10.444 1.269 -4.194 1.00 0.00 C ATOM 744 C LEU A 50 9.741 0.407 -5.238 1.00 0.00 C ATOM 745 O LEU A 50 9.628 -0.808 -5.082 1.00 0.00 O ATOM 746 CB LEU A 50 9.449 1.690 -3.111 1.00 0.00 C ATOM 747 CG LEU A 50 8.855 0.560 -2.269 1.00 0.00 C ATOM 748 CD1 LEU A 50 9.835 0.127 -1.189 1.00 0.00 C ATOM 749 CD2 LEU A 50 7.534 0.994 -1.651 1.00 0.00 C ATOM 0 H LEU A 50 10.826 3.325 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 50 11.240 0.680 -3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.947 2.392 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.631 2.230 -3.588 1.00 0.00 H new ATOM 0 HG LEU A 50 8.665 -0.293 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.395 -0.678 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.756 -0.225 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.057 0.973 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.125 0.178 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.699 1.862 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.830 1.254 -2.442 1.00 0.00 H new ATOM 761 N GLY A 51 9.271 1.045 -6.306 1.00 0.00 N ATOM 762 CA GLY A 51 8.586 0.321 -7.361 1.00 0.00 C ATOM 763 C GLY A 51 9.546 -0.273 -8.373 1.00 0.00 C ATOM 764 O GLY A 51 9.611 -1.492 -8.536 1.00 0.00 O ATOM 0 H GLY A 51 9.352 2.050 -6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.987 -0.476 -6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.896 0.994 -7.870 1.00 0.00 H new ATOM 768 N LYS A 52 10.293 0.588 -9.055 1.00 0.00 N ATOM 769 CA LYS A 52 11.254 0.142 -10.057 1.00 0.00 C ATOM 770 C LYS A 52 12.176 -0.931 -9.486 1.00 0.00 C ATOM 771 O LYS A 52 12.727 -1.748 -10.225 1.00 0.00 O ATOM 772 CB LYS A 52 12.082 1.326 -10.561 1.00 0.00 C ATOM 773 CG LYS A 52 13.270 1.659 -9.675 1.00 0.00 C ATOM 774 CD LYS A 52 13.869 3.010 -10.029 1.00 0.00 C ATOM 775 CE LYS A 52 14.617 2.958 -11.352 1.00 0.00 C ATOM 776 NZ LYS A 52 15.745 3.930 -11.390 1.00 0.00 N ATOM 0 H LYS A 52 10.251 1.600 -8.932 1.00 0.00 H new ATOM 0 HA LYS A 52 10.699 -0.287 -10.892 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.440 1.106 -11.567 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.439 2.203 -10.636 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.957 1.661 -8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.030 0.885 -9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.077 3.757 -10.087 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.549 3.327 -9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.000 1.950 -11.513 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.927 3.171 -12.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.230 3.864 -12.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.377 4.894 -11.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.417 3.712 -10.627 1.00 0.00 H new ATOM 790 N LYS A 53 12.340 -0.924 -8.168 1.00 0.00 N ATOM 791 CA LYS A 53 13.193 -1.898 -7.497 1.00 0.00 C ATOM 792 C LYS A 53 12.465 -3.227 -7.318 1.00 0.00 C ATOM 793 O LYS A 53 13.057 -4.295 -7.476 1.00 0.00 O ATOM 794 CB LYS A 53 13.640 -1.362 -6.135 1.00 0.00 C ATOM 795 CG LYS A 53 12.599 -1.535 -5.042 1.00 0.00 C ATOM 796 CD LYS A 53 13.208 -1.360 -3.660 1.00 0.00 C ATOM 797 CE LYS A 53 14.044 -0.093 -3.576 1.00 0.00 C ATOM 798 NZ LYS A 53 14.903 -0.075 -2.359 1.00 0.00 N ATOM 0 H LYS A 53 11.893 -0.254 -7.542 1.00 0.00 H new ATOM 0 HA LYS A 53 14.071 -2.066 -8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.556 -1.871 -5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.881 -0.303 -6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.798 -0.809 -5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.149 -2.525 -5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.415 -1.324 -2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.829 -2.224 -3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.671 -0.012 -4.464 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.386 0.776 -3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.672 0.614 -2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.330 0.195 -1.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.307 -1.021 -2.205 1.00 0.00 H new ATOM 812 N TYR A 54 11.180 -3.153 -6.991 1.00 0.00 N ATOM 813 CA TYR A 54 10.373 -4.350 -6.790 1.00 0.00 C ATOM 814 C TYR A 54 9.580 -4.689 -8.049 1.00 0.00 C ATOM 815 O TYR A 54 8.818 -5.657 -8.076 1.00 0.00 O ATOM 816 CB TYR A 54 9.420 -4.156 -5.610 1.00 0.00 C ATOM 817 CG TYR A 54 10.059 -4.419 -4.265 1.00 0.00 C ATOM 818 CD1 TYR A 54 10.101 -5.702 -3.733 1.00 0.00 C ATOM 819 CD2 TYR A 54 10.622 -3.385 -3.527 1.00 0.00 C ATOM 820 CE1 TYR A 54 10.684 -5.947 -2.504 1.00 0.00 C ATOM 821 CE2 TYR A 54 11.208 -3.621 -2.299 1.00 0.00 C ATOM 822 CZ TYR A 54 11.236 -4.903 -1.791 1.00 0.00 C ATOM 823 OH TYR A 54 11.818 -5.142 -0.568 1.00 0.00 O ATOM 0 H TYR A 54 10.675 -2.277 -6.859 1.00 0.00 H new ATOM 0 HA TYR A 54 11.046 -5.179 -6.572 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.037 -3.136 -5.627 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.564 -4.820 -5.732 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.671 -6.522 -4.289 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.601 -2.379 -3.921 1.00 0.00 H new ATOM 0 HE1 TYR A 54 10.707 -6.950 -2.104 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.642 -2.806 -1.739 1.00 0.00 H new ATOM 0 HH TYR A 54 11.193 -4.896 0.145 1.00 0.00 H new ATOM 833 N LYS A 55 9.764 -3.886 -9.091 1.00 0.00 N ATOM 834 CA LYS A 55 9.069 -4.099 -10.354 1.00 0.00 C ATOM 835 C LYS A 55 9.417 -5.462 -10.944 1.00 0.00 C ATOM 836 O LYS A 55 8.559 -6.148 -11.498 1.00 0.00 O ATOM 837 CB LYS A 55 9.428 -2.994 -11.350 1.00 0.00 C ATOM 838 CG LYS A 55 8.442 -1.839 -11.358 1.00 0.00 C ATOM 839 CD LYS A 55 8.650 -0.936 -12.563 1.00 0.00 C ATOM 840 CE LYS A 55 7.772 -1.356 -13.732 1.00 0.00 C ATOM 841 NZ LYS A 55 8.476 -2.298 -14.645 1.00 0.00 N ATOM 0 H LYS A 55 10.390 -3.080 -9.085 1.00 0.00 H new ATOM 0 HA LYS A 55 7.997 -4.070 -10.159 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.421 -2.612 -11.113 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.482 -3.422 -12.351 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.424 -2.229 -11.366 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.554 -1.258 -10.443 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.425 0.095 -12.290 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.697 -0.965 -12.864 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.865 -1.827 -13.354 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.463 -0.472 -14.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.017 -2.285 -15.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.470 -2.008 -14.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.434 -3.260 -14.251 1.00 0.00 H new ATOM 855 N GLY A 56 10.683 -5.850 -10.819 1.00 0.00 N ATOM 856 CA GLY A 56 11.121 -7.131 -11.342 1.00 0.00 C ATOM 857 C GLY A 56 11.090 -8.227 -10.296 1.00 0.00 C ATOM 858 O GLY A 56 11.929 -9.127 -10.306 1.00 0.00 O ATOM 0 H GLY A 56 11.412 -5.300 -10.365 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.484 -7.415 -12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.134 -7.033 -11.731 1.00 0.00 H new ATOM 862 N GLN A 57 10.120 -8.151 -9.390 1.00 0.00 N ATOM 863 CA GLN A 57 9.985 -9.143 -8.331 1.00 0.00 C ATOM 864 C GLN A 57 8.990 -10.230 -8.726 1.00 0.00 C ATOM 865 O GLN A 57 8.376 -10.166 -9.791 1.00 0.00 O ATOM 866 CB GLN A 57 9.537 -8.474 -7.030 1.00 0.00 C ATOM 867 CG GLN A 57 10.225 -9.029 -5.793 1.00 0.00 C ATOM 868 CD GLN A 57 9.429 -10.134 -5.128 1.00 0.00 C ATOM 869 OE1 GLN A 57 8.164 -9.858 -4.834 1.00 0.00 O flip ATOM 870 NE2 GLN A 57 9.945 -11.225 -4.882 1.00 0.00 N flip ATOM 0 H GLN A 57 9.417 -7.413 -9.369 1.00 0.00 H new ATOM 0 HA GLN A 57 10.959 -9.607 -8.176 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.733 -7.404 -7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.459 -8.595 -6.921 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.208 -9.410 -6.069 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.386 -8.222 -5.078 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.921 -11.394 -5.125 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.396 -11.960 -4.435 1.00 0.00 H new ATOM 879 N LYS A 58 8.836 -11.227 -7.862 1.00 0.00 N ATOM 880 CA LYS A 58 7.915 -12.328 -8.120 1.00 0.00 C ATOM 881 C LYS A 58 6.478 -11.917 -7.817 1.00 0.00 C ATOM 882 O LYS A 58 6.155 -11.536 -6.692 1.00 0.00 O ATOM 883 CB LYS A 58 8.297 -13.547 -7.276 1.00 0.00 C ATOM 884 CG LYS A 58 7.766 -14.858 -7.828 1.00 0.00 C ATOM 885 CD LYS A 58 8.663 -15.404 -8.927 1.00 0.00 C ATOM 886 CE LYS A 58 8.184 -16.763 -9.414 1.00 0.00 C ATOM 887 NZ LYS A 58 7.121 -16.637 -10.450 1.00 0.00 N ATOM 0 H LYS A 58 9.337 -11.296 -6.976 1.00 0.00 H new ATOM 0 HA LYS A 58 7.985 -12.588 -9.176 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.383 -13.605 -7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.920 -13.410 -6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.690 -15.589 -7.023 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.760 -14.708 -8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.684 -14.704 -9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.684 -15.489 -8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.027 -17.320 -9.824 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.803 -17.338 -8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.821 -17.584 -10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.306 -16.128 -10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.493 -16.111 -11.266 1.00 0.00 H new ATOM 901 N ASP A 59 5.620 -11.997 -8.828 1.00 0.00 N ATOM 902 CA ASP A 59 4.216 -11.636 -8.669 1.00 0.00 C ATOM 903 C ASP A 59 4.061 -10.466 -7.703 1.00 0.00 C ATOM 904 O ASP A 59 3.328 -10.553 -6.717 1.00 0.00 O ATOM 905 CB ASP A 59 3.411 -12.837 -8.168 1.00 0.00 C ATOM 906 CG ASP A 59 4.057 -14.159 -8.534 1.00 0.00 C ATOM 907 OD1 ASP A 59 4.153 -14.459 -9.743 1.00 0.00 O ATOM 908 OD2 ASP A 59 4.467 -14.894 -7.612 1.00 0.00 O ATOM 0 H ASP A 59 5.872 -12.308 -9.766 1.00 0.00 H new ATOM 0 HA ASP A 59 3.833 -11.333 -9.643 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.306 -12.774 -7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.406 -12.798 -8.588 1.00 0.00 H new ATOM 913 N LEU A 60 4.758 -9.372 -7.991 1.00 0.00 N ATOM 914 CA LEU A 60 4.700 -8.184 -7.146 1.00 0.00 C ATOM 915 C LEU A 60 4.771 -6.914 -7.988 1.00 0.00 C ATOM 916 O LEU A 60 5.725 -6.706 -8.738 1.00 0.00 O ATOM 917 CB LEU A 60 5.842 -8.200 -6.129 1.00 0.00 C ATOM 918 CG LEU A 60 5.638 -7.347 -4.877 1.00 0.00 C ATOM 919 CD1 LEU A 60 4.767 -8.080 -3.868 1.00 0.00 C ATOM 920 CD2 LEU A 60 6.978 -6.979 -4.258 1.00 0.00 C ATOM 0 H LEU A 60 5.369 -9.283 -8.803 1.00 0.00 H new ATOM 0 HA LEU A 60 3.749 -8.193 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.011 -9.231 -5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.751 -7.865 -6.628 1.00 0.00 H new ATOM 0 HG LEU A 60 5.129 -6.428 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.633 -7.458 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.795 -8.293 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.248 -9.016 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.813 -6.372 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.514 -7.888 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.569 -6.413 -4.979 1.00 0.00 H new ATOM 932 N VAL A 61 3.755 -6.066 -7.857 1.00 0.00 N ATOM 933 CA VAL A 61 3.704 -4.814 -8.603 1.00 0.00 C ATOM 934 C VAL A 61 3.227 -3.667 -7.720 1.00 0.00 C ATOM 935 O VAL A 61 2.045 -3.578 -7.386 1.00 0.00 O ATOM 936 CB VAL A 61 2.774 -4.927 -9.826 1.00 0.00 C ATOM 937 CG1 VAL A 61 2.711 -3.604 -10.573 1.00 0.00 C ATOM 938 CG2 VAL A 61 3.238 -6.046 -10.746 1.00 0.00 C ATOM 0 H VAL A 61 2.957 -6.223 -7.242 1.00 0.00 H new ATOM 0 HA VAL A 61 4.718 -4.608 -8.945 1.00 0.00 H new ATOM 0 HB VAL A 61 1.770 -5.167 -9.476 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.049 -3.703 -11.434 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.329 -2.829 -9.909 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.710 -3.330 -10.913 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.570 -6.112 -11.605 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.251 -5.838 -11.090 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.226 -6.991 -10.204 1.00 0.00 H new ATOM 948 N ILE A 62 4.153 -2.791 -7.345 1.00 0.00 N ATOM 949 CA ILE A 62 3.826 -1.649 -6.501 1.00 0.00 C ATOM 950 C ILE A 62 3.100 -0.569 -7.295 1.00 0.00 C ATOM 951 O ILE A 62 3.689 0.085 -8.156 1.00 0.00 O ATOM 952 CB ILE A 62 5.089 -1.040 -5.864 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.704 -2.019 -4.862 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.756 0.281 -5.186 1.00 0.00 C ATOM 955 CD1 ILE A 62 6.977 -1.509 -4.223 1.00 0.00 C ATOM 0 H ILE A 62 5.136 -2.850 -7.612 1.00 0.00 H new ATOM 0 HA ILE A 62 3.172 -2.018 -5.711 1.00 0.00 H new ATOM 0 HB ILE A 62 5.819 -0.848 -6.651 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.975 -2.232 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.913 -2.961 -5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.659 0.699 -4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.359 0.978 -5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.012 0.113 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.357 -2.254 -3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.723 -1.322 -4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.770 -0.582 -3.688 1.00 0.00 H new ATOM 967 N ALA A 63 1.817 -0.386 -7.000 1.00 0.00 N ATOM 968 CA ALA A 63 1.011 0.618 -7.684 1.00 0.00 C ATOM 969 C ALA A 63 0.446 1.634 -6.697 1.00 0.00 C ATOM 970 O ALA A 63 0.455 1.411 -5.486 1.00 0.00 O ATOM 971 CB ALA A 63 -0.115 -0.049 -8.459 1.00 0.00 C ATOM 0 H ALA A 63 1.313 -0.920 -6.292 1.00 0.00 H new ATOM 0 HA ALA A 63 1.655 1.150 -8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.709 0.712 -8.965 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.306 -0.731 -9.198 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.750 -0.607 -7.771 1.00 0.00 H new ATOM 977 N LYS A 64 -0.043 2.752 -7.222 1.00 0.00 N ATOM 978 CA LYS A 64 -0.612 3.804 -6.388 1.00 0.00 C ATOM 979 C LYS A 64 -1.972 4.245 -6.920 1.00 0.00 C ATOM 980 O LYS A 64 -2.335 3.933 -8.054 1.00 0.00 O ATOM 981 CB LYS A 64 0.336 5.004 -6.325 1.00 0.00 C ATOM 982 CG LYS A 64 0.641 5.610 -7.685 1.00 0.00 C ATOM 983 CD LYS A 64 1.514 6.847 -7.561 1.00 0.00 C ATOM 984 CE LYS A 64 1.814 7.456 -8.922 1.00 0.00 C ATOM 985 NZ LYS A 64 2.721 6.593 -9.728 1.00 0.00 N ATOM 0 H LYS A 64 -0.057 2.953 -8.222 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.747 3.403 -5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.103 5.770 -5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.270 4.694 -5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.143 4.871 -8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.292 5.870 -8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.014 7.585 -6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.448 6.586 -7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.881 7.609 -9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.270 8.437 -8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.754 6.943 -10.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.677 6.618 -9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.367 5.615 -9.721 1.00 0.00 H new ATOM 999 N MET A 65 -2.717 4.973 -6.096 1.00 0.00 N ATOM 1000 CA MET A 65 -4.036 5.459 -6.486 1.00 0.00 C ATOM 1001 C MET A 65 -4.439 6.669 -5.649 1.00 0.00 C ATOM 1002 O MET A 65 -3.964 6.846 -4.528 1.00 0.00 O ATOM 1003 CB MET A 65 -5.078 4.349 -6.334 1.00 0.00 C ATOM 1004 CG MET A 65 -6.508 4.826 -6.528 1.00 0.00 C ATOM 1005 SD MET A 65 -7.611 3.510 -7.075 1.00 0.00 S ATOM 1006 CE MET A 65 -8.853 3.550 -5.785 1.00 0.00 C ATOM 0 H MET A 65 -2.431 5.240 -5.154 1.00 0.00 H new ATOM 0 HA MET A 65 -3.989 5.762 -7.532 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.865 3.561 -7.057 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.983 3.906 -5.343 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.879 5.240 -5.590 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.521 5.634 -7.260 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.813 3.233 -6.194 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.562 2.877 -4.979 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.941 4.565 -5.396 1.00 0.00 H new ATOM 1016 N ASP A 66 -5.318 7.498 -6.202 1.00 0.00 N ATOM 1017 CA ASP A 66 -5.785 8.691 -5.506 1.00 0.00 C ATOM 1018 C ASP A 66 -7.174 8.467 -4.915 1.00 0.00 C ATOM 1019 O ASP A 66 -8.181 8.845 -5.511 1.00 0.00 O ATOM 1020 CB ASP A 66 -5.810 9.887 -6.459 1.00 0.00 C ATOM 1021 CG ASP A 66 -4.558 9.977 -7.309 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -4.120 8.931 -7.832 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -4.014 11.093 -7.449 1.00 0.00 O ATOM 0 H ASP A 66 -5.721 7.366 -7.130 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.092 8.900 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.682 9.812 -7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.921 10.805 -5.882 1.00 0.00 H new ATOM 1028 N ALA A 67 -7.218 7.847 -3.740 1.00 0.00 N ATOM 1029 CA ALA A 67 -8.482 7.573 -3.068 1.00 0.00 C ATOM 1030 C ALA A 67 -9.367 8.814 -3.036 1.00 0.00 C ATOM 1031 O ALA A 67 -10.595 8.715 -3.042 1.00 0.00 O ATOM 1032 CB ALA A 67 -8.230 7.065 -1.656 1.00 0.00 C ATOM 0 H ALA A 67 -6.393 7.525 -3.234 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.005 6.801 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.183 6.865 -1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.644 6.147 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.683 7.819 -1.090 1.00 0.00 H new ATOM 1038 N THR A 68 -8.737 9.984 -3.002 1.00 0.00 N ATOM 1039 CA THR A 68 -9.467 11.245 -2.967 1.00 0.00 C ATOM 1040 C THR A 68 -10.430 11.356 -4.143 1.00 0.00 C ATOM 1041 O THR A 68 -11.510 11.933 -4.022 1.00 0.00 O ATOM 1042 CB THR A 68 -8.509 12.451 -2.987 1.00 0.00 C ATOM 1043 OG1 THR A 68 -7.782 12.478 -4.220 1.00 0.00 O ATOM 1044 CG2 THR A 68 -7.535 12.387 -1.820 1.00 0.00 C ATOM 0 H THR A 68 -7.722 10.084 -2.998 1.00 0.00 H new ATOM 0 HA THR A 68 -10.033 11.256 -2.035 1.00 0.00 H new ATOM 0 HB THR A 68 -9.103 13.361 -2.895 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.176 13.248 -4.226 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.868 13.249 -1.855 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.090 12.395 -0.882 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.948 11.471 -1.886 1.00 0.00 H new ATOM 1052 N ALA A 69 -10.031 10.799 -5.282 1.00 0.00 N ATOM 1053 CA ALA A 69 -10.860 10.833 -6.481 1.00 0.00 C ATOM 1054 C ALA A 69 -11.564 9.498 -6.700 1.00 0.00 C ATOM 1055 O ALA A 69 -12.739 9.457 -7.061 1.00 0.00 O ATOM 1056 CB ALA A 69 -10.018 11.193 -7.695 1.00 0.00 C ATOM 0 H ALA A 69 -9.139 10.319 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.624 11.598 -6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.650 11.215 -8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.567 12.174 -7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.233 10.449 -7.827 1.00 0.00 H new ATOM 1062 N ASN A 70 -10.836 8.408 -6.479 1.00 0.00 N ATOM 1063 CA ASN A 70 -11.391 7.070 -6.654 1.00 0.00 C ATOM 1064 C ASN A 70 -11.936 6.531 -5.335 1.00 0.00 C ATOM 1065 O ASN A 70 -11.233 6.506 -4.325 1.00 0.00 O ATOM 1066 CB ASN A 70 -10.325 6.121 -7.204 1.00 0.00 C ATOM 1067 CG ASN A 70 -9.904 6.480 -8.616 1.00 0.00 C ATOM 1068 OD1 ASN A 70 -10.676 6.329 -9.563 1.00 0.00 O ATOM 1069 ND2 ASN A 70 -8.674 6.959 -8.764 1.00 0.00 N ATOM 0 H ASN A 70 -9.861 8.425 -6.179 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.213 7.135 -7.367 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.452 6.142 -6.551 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.709 5.101 -7.191 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.336 7.218 -9.691 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.068 7.068 -7.951 1.00 0.00 H new ATOM 1076 N ASP A 71 -13.193 6.100 -5.353 1.00 0.00 N ATOM 1077 CA ASP A 71 -13.832 5.559 -4.159 1.00 0.00 C ATOM 1078 C ASP A 71 -13.531 4.071 -4.008 1.00 0.00 C ATOM 1079 O ASP A 71 -13.906 3.262 -4.857 1.00 0.00 O ATOM 1080 CB ASP A 71 -15.344 5.782 -4.220 1.00 0.00 C ATOM 1081 CG ASP A 71 -15.740 7.185 -3.804 1.00 0.00 C ATOM 1082 OD1 ASP A 71 -15.091 8.146 -4.266 1.00 0.00 O ATOM 1083 OD2 ASP A 71 -16.699 7.321 -3.016 1.00 0.00 O ATOM 0 H ASP A 71 -13.789 6.115 -6.181 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.429 6.082 -3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.695 5.594 -5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.841 5.060 -3.572 1.00 0.00 H new ATOM 1088 N ILE A 72 -12.850 3.719 -2.922 1.00 0.00 N ATOM 1089 CA ILE A 72 -12.498 2.329 -2.660 1.00 0.00 C ATOM 1090 C ILE A 72 -13.742 1.488 -2.393 1.00 0.00 C ATOM 1091 O ILE A 72 -14.275 1.481 -1.283 1.00 0.00 O ATOM 1092 CB ILE A 72 -11.542 2.207 -1.459 1.00 0.00 C ATOM 1093 CG1 ILE A 72 -10.268 3.016 -1.709 1.00 0.00 C ATOM 1094 CG2 ILE A 72 -11.206 0.747 -1.195 1.00 0.00 C ATOM 1095 CD1 ILE A 72 -9.576 3.461 -0.440 1.00 0.00 C ATOM 0 H ILE A 72 -12.532 4.377 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 72 -11.995 1.957 -3.553 1.00 0.00 H new ATOM 0 HB ILE A 72 -12.038 2.610 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.576 2.415 -2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.516 3.894 -2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.529 0.678 -0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -12.121 0.197 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.726 0.319 -2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.681 4.029 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.251 4.088 0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.296 2.587 0.148 1.00 0.00 H new ATOM 1107 N THR A 73 -14.200 0.776 -3.419 1.00 0.00 N ATOM 1108 CA THR A 73 -15.380 -0.070 -3.296 1.00 0.00 C ATOM 1109 C THR A 73 -15.259 -1.013 -2.104 1.00 0.00 C ATOM 1110 O THR A 73 -16.231 -1.252 -1.389 1.00 0.00 O ATOM 1111 CB THR A 73 -15.612 -0.901 -4.572 1.00 0.00 C ATOM 1112 OG1 THR A 73 -14.408 -1.588 -4.934 1.00 0.00 O ATOM 1113 CG2 THR A 73 -16.060 -0.012 -5.722 1.00 0.00 C ATOM 0 H THR A 73 -13.771 0.769 -4.344 1.00 0.00 H new ATOM 0 HA THR A 73 -16.230 0.595 -3.145 1.00 0.00 H new ATOM 0 HB THR A 73 -16.398 -1.628 -4.368 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.507 -1.971 -5.831 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.218 -0.621 -6.612 1.00 0.00 H new ATOM 0 HG22 THR A 73 -16.991 0.487 -5.454 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.293 0.735 -5.925 1.00 0.00 H new ATOM 1121 N ASN A 74 -14.059 -1.545 -1.896 1.00 0.00 N ATOM 1122 CA ASN A 74 -13.811 -2.462 -0.789 1.00 0.00 C ATOM 1123 C ASN A 74 -14.363 -1.900 0.517 1.00 0.00 C ATOM 1124 O ASN A 74 -14.901 -0.793 0.551 1.00 0.00 O ATOM 1125 CB ASN A 74 -12.312 -2.732 -0.649 1.00 0.00 C ATOM 1126 CG ASN A 74 -11.625 -2.892 -1.992 1.00 0.00 C ATOM 1127 OD1 ASN A 74 -11.291 -1.909 -2.652 1.00 0.00 O ATOM 1128 ND2 ASN A 74 -11.411 -4.137 -2.401 1.00 0.00 N ATOM 0 H ASN A 74 -13.243 -1.357 -2.479 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.323 -3.400 -1.005 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.847 -1.912 -0.102 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.162 -3.635 -0.057 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.952 -4.308 -3.296 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.705 -4.922 -1.820 1.00 0.00 H new ATOM 1135 N ASP A 75 -14.225 -2.670 1.591 1.00 0.00 N ATOM 1136 CA ASP A 75 -14.708 -2.249 2.901 1.00 0.00 C ATOM 1137 C ASP A 75 -13.571 -2.228 3.918 1.00 0.00 C ATOM 1138 O ASP A 75 -13.528 -1.368 4.797 1.00 0.00 O ATOM 1139 CB ASP A 75 -15.821 -3.181 3.381 1.00 0.00 C ATOM 1140 CG ASP A 75 -16.969 -3.269 2.394 1.00 0.00 C ATOM 1141 OD1 ASP A 75 -16.758 -3.805 1.286 1.00 0.00 O ATOM 1142 OD2 ASP A 75 -18.077 -2.803 2.731 1.00 0.00 O ATOM 0 H ASP A 75 -13.783 -3.589 1.580 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.106 -1.239 2.807 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -15.411 -4.177 3.546 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.197 -2.828 4.341 1.00 0.00 H new ATOM 1147 N GLN A 76 -12.654 -3.182 3.792 1.00 0.00 N ATOM 1148 CA GLN A 76 -11.518 -3.273 4.702 1.00 0.00 C ATOM 1149 C GLN A 76 -10.519 -2.150 4.441 1.00 0.00 C ATOM 1150 O GLN A 76 -9.857 -1.669 5.360 1.00 0.00 O ATOM 1151 CB GLN A 76 -10.827 -4.630 4.554 1.00 0.00 C ATOM 1152 CG GLN A 76 -11.749 -5.812 4.804 1.00 0.00 C ATOM 1153 CD GLN A 76 -12.400 -6.323 3.533 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -13.625 -6.387 3.433 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -11.581 -6.689 2.554 1.00 0.00 N ATOM 0 H GLN A 76 -12.675 -3.902 3.070 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.892 -3.172 5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.412 -4.710 3.549 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.989 -4.680 5.250 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.181 -6.619 5.267 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.524 -5.520 5.513 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.571 -6.619 2.681 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.962 -7.040 1.675 1.00 0.00 H new ATOM 1164 N TYR A 77 -10.417 -1.737 3.183 1.00 0.00 N ATOM 1165 CA TYR A 77 -9.498 -0.672 2.800 1.00 0.00 C ATOM 1166 C TYR A 77 -10.082 0.698 3.132 1.00 0.00 C ATOM 1167 O TYR A 77 -10.823 1.279 2.339 1.00 0.00 O ATOM 1168 CB TYR A 77 -9.181 -0.755 1.306 1.00 0.00 C ATOM 1169 CG TYR A 77 -8.389 -1.985 0.922 1.00 0.00 C ATOM 1170 CD1 TYR A 77 -8.922 -3.257 1.084 1.00 0.00 C ATOM 1171 CD2 TYR A 77 -7.108 -1.873 0.397 1.00 0.00 C ATOM 1172 CE1 TYR A 77 -8.202 -4.383 0.736 1.00 0.00 C ATOM 1173 CE2 TYR A 77 -6.380 -2.994 0.044 1.00 0.00 C ATOM 1174 CZ TYR A 77 -6.932 -4.247 0.216 1.00 0.00 C ATOM 1175 OH TYR A 77 -6.212 -5.366 -0.133 1.00 0.00 O ATOM 0 H TYR A 77 -10.960 -2.124 2.411 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.577 -0.801 3.368 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.115 -0.744 0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.622 0.133 1.012 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.917 -3.368 1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.673 -0.894 0.262 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.631 -5.365 0.870 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.385 -2.890 -0.364 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.827 -6.077 -0.410 1.00 0.00 H new ATOM 1185 N LYS A 78 -9.743 1.209 4.311 1.00 0.00 N ATOM 1186 CA LYS A 78 -10.230 2.511 4.750 1.00 0.00 C ATOM 1187 C LYS A 78 -9.080 3.501 4.897 1.00 0.00 C ATOM 1188 O LYS A 78 -8.265 3.391 5.813 1.00 0.00 O ATOM 1189 CB LYS A 78 -10.975 2.377 6.080 1.00 0.00 C ATOM 1190 CG LYS A 78 -12.466 2.132 5.920 1.00 0.00 C ATOM 1191 CD LYS A 78 -13.136 1.881 7.260 1.00 0.00 C ATOM 1192 CE LYS A 78 -13.331 3.174 8.037 1.00 0.00 C ATOM 1193 NZ LYS A 78 -14.509 3.104 8.945 1.00 0.00 N ATOM 0 H LYS A 78 -9.132 0.740 4.980 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.916 2.889 3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.539 1.556 6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.825 3.285 6.664 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.928 2.993 5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.627 1.275 5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.102 1.402 7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.530 1.190 7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.435 3.386 8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.459 4.001 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.607 4.004 9.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.368 2.928 8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.375 2.331 9.628 1.00 0.00 H new ATOM 1207 N VAL A 79 -9.020 4.471 3.989 1.00 0.00 N ATOM 1208 CA VAL A 79 -7.970 5.483 4.020 1.00 0.00 C ATOM 1209 C VAL A 79 -8.321 6.609 4.985 1.00 0.00 C ATOM 1210 O VAL A 79 -8.859 7.639 4.582 1.00 0.00 O ATOM 1211 CB VAL A 79 -7.724 6.078 2.621 1.00 0.00 C ATOM 1212 CG1 VAL A 79 -6.655 7.159 2.681 1.00 0.00 C ATOM 1213 CG2 VAL A 79 -7.335 4.985 1.637 1.00 0.00 C ATOM 0 H VAL A 79 -9.686 4.577 3.224 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.061 4.987 4.361 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.650 6.535 2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.495 7.568 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.980 7.955 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.724 6.730 3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.165 5.424 0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.423 4.496 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.138 4.251 1.573 1.00 0.00 H new ATOM 1223 N GLU A 80 -8.011 6.404 6.262 1.00 0.00 N ATOM 1224 CA GLU A 80 -8.294 7.404 7.285 1.00 0.00 C ATOM 1225 C GLU A 80 -7.550 8.704 6.997 1.00 0.00 C ATOM 1226 O GLU A 80 -8.062 9.794 7.248 1.00 0.00 O ATOM 1227 CB GLU A 80 -7.903 6.875 8.667 1.00 0.00 C ATOM 1228 CG GLU A 80 -8.842 5.805 9.198 1.00 0.00 C ATOM 1229 CD GLU A 80 -8.366 5.209 10.508 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -7.136 5.106 10.700 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -9.222 4.845 11.341 1.00 0.00 O ATOM 0 H GLU A 80 -7.565 5.556 6.612 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.365 7.609 7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.893 6.468 8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.878 7.707 9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.834 6.234 9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.939 5.012 8.457 1.00 0.00 H new ATOM 1238 N GLY A 81 -6.337 8.580 6.466 1.00 0.00 N ATOM 1239 CA GLY A 81 -5.542 9.752 6.152 1.00 0.00 C ATOM 1240 C GLY A 81 -4.601 9.520 4.987 1.00 0.00 C ATOM 1241 O GLY A 81 -4.897 8.731 4.089 1.00 0.00 O ATOM 0 H GLY A 81 -5.891 7.689 6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.205 10.585 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.964 10.041 7.030 1.00 0.00 H new ATOM 1245 N PHE A 82 -3.465 10.208 4.999 1.00 0.00 N ATOM 1246 CA PHE A 82 -2.478 10.075 3.933 1.00 0.00 C ATOM 1247 C PHE A 82 -1.083 10.435 4.434 1.00 0.00 C ATOM 1248 O PHE A 82 -0.904 11.338 5.252 1.00 0.00 O ATOM 1249 CB PHE A 82 -2.853 10.968 2.748 1.00 0.00 C ATOM 1250 CG PHE A 82 -4.208 10.666 2.175 1.00 0.00 C ATOM 1251 CD1 PHE A 82 -5.351 11.199 2.747 1.00 0.00 C ATOM 1252 CD2 PHE A 82 -4.338 9.849 1.063 1.00 0.00 C ATOM 1253 CE1 PHE A 82 -6.600 10.924 2.222 1.00 0.00 C ATOM 1254 CE2 PHE A 82 -5.584 9.570 0.534 1.00 0.00 C ATOM 1255 CZ PHE A 82 -6.716 10.107 1.114 1.00 0.00 C ATOM 0 H PHE A 82 -3.204 10.864 5.735 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.470 9.035 3.608 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.826 12.010 3.066 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.103 10.854 1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.266 11.837 3.614 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.456 9.426 0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.483 11.347 2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.672 8.932 -0.333 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.690 9.889 0.702 1.00 0.00 H new ATOM 1265 N PRO A 83 -0.070 9.713 3.934 1.00 0.00 N ATOM 1266 CA PRO A 83 -0.272 8.636 2.960 1.00 0.00 C ATOM 1267 C PRO A 83 -0.963 7.422 3.572 1.00 0.00 C ATOM 1268 O PRO A 83 -1.277 7.408 4.763 1.00 0.00 O ATOM 1269 CB PRO A 83 1.152 8.278 2.527 1.00 0.00 C ATOM 1270 CG PRO A 83 2.010 8.683 3.676 1.00 0.00 C ATOM 1271 CD PRO A 83 1.350 9.891 4.280 1.00 0.00 C ATOM 0 HA PRO A 83 -0.918 8.946 2.138 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.246 7.212 2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.434 8.807 1.617 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.091 7.877 4.405 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.022 8.916 3.344 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.498 9.933 5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.751 10.817 3.867 1.00 0.00 H new ATOM 1279 N THR A 84 -1.199 6.404 2.751 1.00 0.00 N ATOM 1280 CA THR A 84 -1.854 5.186 3.211 1.00 0.00 C ATOM 1281 C THR A 84 -1.521 4.006 2.305 1.00 0.00 C ATOM 1282 O THR A 84 -2.041 3.899 1.194 1.00 0.00 O ATOM 1283 CB THR A 84 -3.383 5.359 3.270 1.00 0.00 C ATOM 1284 OG1 THR A 84 -3.733 6.286 4.303 1.00 0.00 O ATOM 1285 CG2 THR A 84 -4.069 4.025 3.525 1.00 0.00 C ATOM 0 H THR A 84 -0.946 6.399 1.763 1.00 0.00 H new ATOM 0 HA THR A 84 -1.480 4.986 4.215 1.00 0.00 H new ATOM 0 HB THR A 84 -3.719 5.745 2.308 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.918 6.675 4.684 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.148 4.172 3.563 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.825 3.331 2.721 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.725 3.615 4.475 1.00 0.00 H new ATOM 1293 N ILE A 85 -0.653 3.123 2.787 1.00 0.00 N ATOM 1294 CA ILE A 85 -0.253 1.950 2.020 1.00 0.00 C ATOM 1295 C ILE A 85 -1.102 0.737 2.387 1.00 0.00 C ATOM 1296 O ILE A 85 -1.488 0.564 3.543 1.00 0.00 O ATOM 1297 CB ILE A 85 1.232 1.609 2.245 1.00 0.00 C ATOM 1298 CG1 ILE A 85 2.108 2.828 1.946 1.00 0.00 C ATOM 1299 CG2 ILE A 85 1.642 0.429 1.377 1.00 0.00 C ATOM 1300 CD1 ILE A 85 3.389 2.863 2.750 1.00 0.00 C ATOM 0 H ILE A 85 -0.214 3.198 3.704 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.406 2.194 0.969 1.00 0.00 H new ATOM 0 HB ILE A 85 1.372 1.332 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.355 2.837 0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.537 3.734 2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.694 0.200 1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.036 -0.440 1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.491 0.680 0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.960 3.754 2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.151 2.886 3.813 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.981 1.975 2.530 1.00 0.00 H new ATOM 1312 N TYR A 86 -1.388 -0.099 1.396 1.00 0.00 N ATOM 1313 CA TYR A 86 -2.192 -1.296 1.613 1.00 0.00 C ATOM 1314 C TYR A 86 -1.696 -2.451 0.749 1.00 0.00 C ATOM 1315 O TYR A 86 -1.662 -2.354 -0.478 1.00 0.00 O ATOM 1316 CB TYR A 86 -3.663 -1.010 1.307 1.00 0.00 C ATOM 1317 CG TYR A 86 -4.444 -0.509 2.500 1.00 0.00 C ATOM 1318 CD1 TYR A 86 -4.786 -1.365 3.540 1.00 0.00 C ATOM 1319 CD2 TYR A 86 -4.842 0.819 2.588 1.00 0.00 C ATOM 1320 CE1 TYR A 86 -5.501 -0.913 4.633 1.00 0.00 C ATOM 1321 CE2 TYR A 86 -5.555 1.281 3.677 1.00 0.00 C ATOM 1322 CZ TYR A 86 -5.882 0.411 4.697 1.00 0.00 C ATOM 1323 OH TYR A 86 -6.594 0.867 5.783 1.00 0.00 O ATOM 0 H TYR A 86 -1.075 0.030 0.434 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.095 -1.583 2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.722 -0.271 0.508 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.131 -1.921 0.933 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.488 -2.402 3.493 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.589 1.502 1.791 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.760 -1.592 5.432 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.855 2.317 3.730 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.039 1.709 5.552 1.00 0.00 H new ATOM 1333 N PHE A 87 -1.312 -3.545 1.398 1.00 0.00 N ATOM 1334 CA PHE A 87 -0.816 -4.720 0.691 1.00 0.00 C ATOM 1335 C PHE A 87 -1.945 -5.713 0.428 1.00 0.00 C ATOM 1336 O PHE A 87 -2.555 -6.236 1.361 1.00 0.00 O ATOM 1337 CB PHE A 87 0.296 -5.395 1.496 1.00 0.00 C ATOM 1338 CG PHE A 87 1.045 -6.442 0.722 1.00 0.00 C ATOM 1339 CD1 PHE A 87 0.443 -7.647 0.398 1.00 0.00 C ATOM 1340 CD2 PHE A 87 2.352 -6.221 0.319 1.00 0.00 C ATOM 1341 CE1 PHE A 87 1.130 -8.612 -0.314 1.00 0.00 C ATOM 1342 CE2 PHE A 87 3.044 -7.182 -0.394 1.00 0.00 C ATOM 1343 CZ PHE A 87 2.432 -8.380 -0.709 1.00 0.00 C ATOM 0 H PHE A 87 -1.335 -3.642 2.413 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.413 -4.393 -0.267 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.999 -4.635 1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.137 -5.852 2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.575 -7.834 0.705 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.836 -5.287 0.565 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.649 -9.547 -0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.062 -6.997 -0.704 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.972 -9.134 -1.263 1.00 0.00 H new ATOM 1353 N ALA A 88 -2.217 -5.966 -0.847 1.00 0.00 N ATOM 1354 CA ALA A 88 -3.270 -6.897 -1.233 1.00 0.00 C ATOM 1355 C ALA A 88 -2.687 -8.233 -1.680 1.00 0.00 C ATOM 1356 O ALA A 88 -2.303 -8.414 -2.836 1.00 0.00 O ATOM 1357 CB ALA A 88 -4.126 -6.296 -2.339 1.00 0.00 C ATOM 0 H ALA A 88 -1.723 -5.539 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.897 -7.079 -0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.908 -7.002 -2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.581 -5.371 -1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.502 -6.084 -3.207 1.00 0.00 H new ATOM 1363 N PRO A 89 -2.616 -9.191 -0.744 1.00 0.00 N ATOM 1364 CA PRO A 89 -2.080 -10.527 -1.019 1.00 0.00 C ATOM 1365 C PRO A 89 -2.993 -11.344 -1.926 1.00 0.00 C ATOM 1366 O PRO A 89 -4.128 -11.653 -1.564 1.00 0.00 O ATOM 1367 CB PRO A 89 -1.994 -11.167 0.369 1.00 0.00 C ATOM 1368 CG PRO A 89 -3.019 -10.452 1.180 1.00 0.00 C ATOM 1369 CD PRO A 89 -3.055 -9.044 0.653 1.00 0.00 C ATOM 0 HA PRO A 89 -1.126 -10.482 -1.544 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.199 -12.237 0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.999 -11.051 0.798 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.994 -10.929 1.085 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.759 -10.466 2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -4.056 -8.617 0.717 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.391 -8.387 1.216 1.00 0.00 H new ATOM 1377 N SER A 90 -2.491 -11.690 -3.107 1.00 0.00 N ATOM 1378 CA SER A 90 -3.264 -12.468 -4.068 1.00 0.00 C ATOM 1379 C SER A 90 -3.753 -13.772 -3.444 1.00 0.00 C ATOM 1380 O SER A 90 -2.989 -14.723 -3.288 1.00 0.00 O ATOM 1381 CB SER A 90 -2.422 -12.768 -5.309 1.00 0.00 C ATOM 1382 OG SER A 90 -1.457 -13.772 -5.041 1.00 0.00 O ATOM 0 H SER A 90 -1.552 -11.444 -3.421 1.00 0.00 H new ATOM 0 HA SER A 90 -4.132 -11.878 -4.361 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.071 -13.091 -6.123 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.922 -11.858 -5.642 1.00 0.00 H new ATOM 0 HG SER A 90 -1.610 -14.143 -4.147 1.00 0.00 H new ATOM 1388 N GLY A 91 -5.033 -13.807 -3.088 1.00 0.00 N ATOM 1389 CA GLY A 91 -5.603 -14.997 -2.484 1.00 0.00 C ATOM 1390 C GLY A 91 -6.216 -14.722 -1.125 1.00 0.00 C ATOM 1391 O GLY A 91 -7.300 -15.216 -0.814 1.00 0.00 O ATOM 0 H GLY A 91 -5.686 -13.032 -3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.365 -15.407 -3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.827 -15.756 -2.382 1.00 0.00 H new ATOM 1395 N ASP A 92 -5.520 -13.934 -0.313 1.00 0.00 N ATOM 1396 CA ASP A 92 -6.002 -13.594 1.020 1.00 0.00 C ATOM 1397 C ASP A 92 -6.211 -12.089 1.156 1.00 0.00 C ATOM 1398 O ASP A 92 -5.954 -11.507 2.210 1.00 0.00 O ATOM 1399 CB ASP A 92 -5.015 -14.082 2.082 1.00 0.00 C ATOM 1400 CG ASP A 92 -4.707 -15.560 1.950 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -5.621 -16.379 2.179 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -3.551 -15.898 1.618 1.00 0.00 O ATOM 0 H ASP A 92 -4.620 -13.519 -0.555 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.961 -14.090 1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.089 -13.512 2.002 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.425 -13.886 3.073 1.00 0.00 H new ATOM 1407 N LYS A 93 -6.678 -11.462 0.081 1.00 0.00 N ATOM 1408 CA LYS A 93 -6.922 -10.025 0.078 1.00 0.00 C ATOM 1409 C LYS A 93 -7.927 -9.642 1.159 1.00 0.00 C ATOM 1410 O LYS A 93 -7.785 -8.610 1.817 1.00 0.00 O ATOM 1411 CB LYS A 93 -7.435 -9.576 -1.292 1.00 0.00 C ATOM 1412 CG LYS A 93 -6.561 -10.032 -2.448 1.00 0.00 C ATOM 1413 CD LYS A 93 -6.662 -9.085 -3.631 1.00 0.00 C ATOM 1414 CE LYS A 93 -5.964 -9.650 -4.859 1.00 0.00 C ATOM 1415 NZ LYS A 93 -6.809 -10.653 -5.565 1.00 0.00 N ATOM 0 H LYS A 93 -6.895 -11.928 -0.800 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.978 -9.521 0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.444 -9.961 -1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.504 -8.488 -1.306 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.524 -10.095 -2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.858 -11.034 -2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.711 -8.899 -3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.218 -8.125 -3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.717 -8.838 -5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.023 -10.113 -4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.399 -11.601 -5.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.770 -10.637 -5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.848 -10.422 -6.578 1.00 0.00 H new ATOM 1429 N LYS A 94 -8.943 -10.479 1.340 1.00 0.00 N ATOM 1430 CA LYS A 94 -9.972 -10.230 2.343 1.00 0.00 C ATOM 1431 C LYS A 94 -9.402 -9.451 3.524 1.00 0.00 C ATOM 1432 O LYS A 94 -10.041 -8.537 4.043 1.00 0.00 O ATOM 1433 CB LYS A 94 -10.568 -11.552 2.830 1.00 0.00 C ATOM 1434 CG LYS A 94 -11.627 -11.382 3.906 1.00 0.00 C ATOM 1435 CD LYS A 94 -12.991 -11.087 3.304 1.00 0.00 C ATOM 1436 CE LYS A 94 -14.095 -11.204 4.343 1.00 0.00 C ATOM 1437 NZ LYS A 94 -15.248 -10.314 4.030 1.00 0.00 N ATOM 0 H LYS A 94 -9.076 -11.337 0.804 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.758 -9.632 1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.005 -12.078 1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.767 -12.182 3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.683 -12.288 4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.340 -10.571 4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.993 -10.083 2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.186 -11.779 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.437 -12.238 4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.697 -10.951 5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.979 -10.423 4.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.927 -9.325 4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.644 -10.572 3.104 1.00 0.00 H new ATOM 1451 N ASN A 95 -8.196 -9.819 3.943 1.00 0.00 N ATOM 1452 CA ASN A 95 -7.540 -9.153 5.063 1.00 0.00 C ATOM 1453 C ASN A 95 -6.379 -8.290 4.579 1.00 0.00 C ATOM 1454 O ASN A 95 -5.255 -8.760 4.402 1.00 0.00 O ATOM 1455 CB ASN A 95 -7.035 -10.187 6.072 1.00 0.00 C ATOM 1456 CG ASN A 95 -8.084 -10.543 7.108 1.00 0.00 C ATOM 1457 OD1 ASN A 95 -7.996 -10.130 8.264 1.00 0.00 O ATOM 1458 ND2 ASN A 95 -9.083 -11.315 6.696 1.00 0.00 N ATOM 0 H ASN A 95 -7.653 -10.574 3.524 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.272 -8.507 5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.731 -11.089 5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.149 -9.798 6.574 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.818 -11.589 7.348 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.115 -11.634 5.728 1.00 0.00 H new ATOM 1465 N PRO A 96 -6.655 -6.996 4.359 1.00 0.00 N ATOM 1466 CA PRO A 96 -5.647 -6.039 3.893 1.00 0.00 C ATOM 1467 C PRO A 96 -4.600 -5.735 4.959 1.00 0.00 C ATOM 1468 O PRO A 96 -4.909 -5.690 6.150 1.00 0.00 O ATOM 1469 CB PRO A 96 -6.467 -4.786 3.577 1.00 0.00 C ATOM 1470 CG PRO A 96 -7.677 -4.897 4.439 1.00 0.00 C ATOM 1471 CD PRO A 96 -7.973 -6.367 4.549 1.00 0.00 C ATOM 0 HA PRO A 96 -5.084 -6.422 3.042 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.905 -3.879 3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.736 -4.745 2.521 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.498 -4.460 5.421 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.519 -4.361 4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.402 -6.619 5.519 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.686 -6.691 3.791 1.00 0.00 H new ATOM 1479 N ILE A 97 -3.362 -5.528 4.524 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.270 -5.227 5.441 1.00 0.00 C ATOM 1481 C ILE A 97 -1.779 -3.795 5.261 1.00 0.00 C ATOM 1482 O ILE A 97 -1.031 -3.496 4.330 1.00 0.00 O ATOM 1483 CB ILE A 97 -1.086 -6.193 5.243 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -1.574 -7.643 5.260 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -0.035 -5.969 6.320 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -0.740 -8.571 4.405 1.00 0.00 C ATOM 0 H ILE A 97 -3.090 -5.563 3.542 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.663 -5.349 6.450 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.632 -5.994 4.272 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.570 -8.007 6.287 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.607 -7.674 4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.795 -6.659 6.167 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.330 -4.943 6.264 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.476 -6.144 7.301 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.144 -9.582 4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.764 -8.231 3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.289 -8.570 4.764 1.00 0.00 H new ATOM 1498 N LYS A 98 -2.204 -2.912 6.158 1.00 0.00 N ATOM 1499 CA LYS A 98 -1.806 -1.511 6.101 1.00 0.00 C ATOM 1500 C LYS A 98 -0.428 -1.311 6.724 1.00 0.00 C ATOM 1501 O LYS A 98 -0.107 -1.910 7.751 1.00 0.00 O ATOM 1502 CB LYS A 98 -2.835 -0.637 6.823 1.00 0.00 C ATOM 1503 CG LYS A 98 -2.421 0.820 6.939 1.00 0.00 C ATOM 1504 CD LYS A 98 -3.610 1.713 7.252 1.00 0.00 C ATOM 1505 CE LYS A 98 -3.189 2.946 8.037 1.00 0.00 C ATOM 1506 NZ LYS A 98 -2.835 4.081 7.139 1.00 0.00 N ATOM 0 H LYS A 98 -2.825 -3.142 6.934 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.758 -1.215 5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.785 -0.695 6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.003 -1.039 7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.670 0.925 7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.957 1.143 6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.092 2.019 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.348 1.151 7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.999 3.247 8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.334 2.701 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.554 4.902 7.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.046 3.802 6.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.658 4.332 6.555 1.00 0.00 H new ATOM 1520 N PHE A 99 0.382 -0.463 6.098 1.00 0.00 N ATOM 1521 CA PHE A 99 1.726 -0.184 6.592 1.00 0.00 C ATOM 1522 C PHE A 99 1.675 0.697 7.836 1.00 0.00 C ATOM 1523 O PHE A 99 1.476 1.908 7.744 1.00 0.00 O ATOM 1524 CB PHE A 99 2.560 0.496 5.505 1.00 0.00 C ATOM 1525 CG PHE A 99 3.929 0.906 5.968 1.00 0.00 C ATOM 1526 CD1 PHE A 99 4.128 2.132 6.583 1.00 0.00 C ATOM 1527 CD2 PHE A 99 5.016 0.066 5.789 1.00 0.00 C ATOM 1528 CE1 PHE A 99 5.387 2.511 7.010 1.00 0.00 C ATOM 1529 CE2 PHE A 99 6.277 0.440 6.214 1.00 0.00 C ATOM 1530 CZ PHE A 99 6.462 1.664 6.826 1.00 0.00 C ATOM 0 H PHE A 99 0.131 0.043 5.248 1.00 0.00 H new ATOM 0 HA PHE A 99 2.193 -1.132 6.859 1.00 0.00 H new ATOM 0 HB2 PHE A 99 2.660 -0.182 4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.027 1.377 5.147 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.291 2.798 6.730 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.876 -0.893 5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.530 3.469 7.487 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.116 -0.224 6.068 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.446 1.958 7.160 1.00 0.00 H new ATOM 1540 N GLU A 100 1.858 0.079 8.999 1.00 0.00 N ATOM 1541 CA GLU A 100 1.832 0.807 10.263 1.00 0.00 C ATOM 1542 C GLU A 100 3.211 0.814 10.915 1.00 0.00 C ATOM 1543 O GLU A 100 3.360 0.454 12.082 1.00 0.00 O ATOM 1544 CB GLU A 100 0.809 0.185 11.215 1.00 0.00 C ATOM 1545 CG GLU A 100 -0.610 0.680 10.991 1.00 0.00 C ATOM 1546 CD GLU A 100 -1.461 0.596 12.244 1.00 0.00 C ATOM 1547 OE1 GLU A 100 -1.020 1.101 13.297 1.00 0.00 O ATOM 1548 OE2 GLU A 100 -2.570 0.025 12.170 1.00 0.00 O ATOM 0 H GLU A 100 2.026 -0.923 9.092 1.00 0.00 H new ATOM 0 HA GLU A 100 1.543 1.837 10.053 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.829 -0.899 11.099 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.102 0.401 12.242 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.580 1.713 10.645 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.075 0.092 10.200 1.00 0.00 H new ATOM 1583 N ARG A 104 8.000 5.631 7.302 1.00 0.00 N ATOM 1584 CA ARG A 104 7.538 5.390 5.941 1.00 0.00 C ATOM 1585 C ARG A 104 8.618 5.758 4.927 1.00 0.00 C ATOM 1586 O ARG A 104 8.392 6.574 4.034 1.00 0.00 O ATOM 1587 CB ARG A 104 6.266 6.192 5.661 1.00 0.00 C ATOM 1588 CG ARG A 104 5.311 5.504 4.700 1.00 0.00 C ATOM 1589 CD ARG A 104 4.582 6.510 3.823 1.00 0.00 C ATOM 1590 NE ARG A 104 3.864 5.863 2.729 1.00 0.00 N ATOM 1591 CZ ARG A 104 4.466 5.228 1.729 1.00 0.00 C ATOM 1592 NH1 ARG A 104 5.789 5.155 1.687 1.00 0.00 N ATOM 1593 NH2 ARG A 104 3.744 4.664 0.769 1.00 0.00 N ATOM 0 HA ARG A 104 7.318 4.327 5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 104 5.749 6.378 6.603 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.542 7.164 5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.865 4.806 4.072 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.585 4.918 5.264 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.879 7.079 4.431 1.00 0.00 H new ATOM 0 HD3 ARG A 104 5.299 7.222 3.415 1.00 0.00 H new ATOM 0 HE ARG A 104 2.845 5.900 2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.347 5.587 2.423 1.00 0.00 H new ATOM 0 HH12 ARG A 104 6.249 4.667 0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.726 4.718 0.798 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.207 4.177 0.002 1.00 0.00 H new ATOM 1607 N ASP A 105 9.790 5.150 5.072 1.00 0.00 N ATOM 1608 CA ASP A 105 10.904 5.412 4.169 1.00 0.00 C ATOM 1609 C ASP A 105 11.260 4.164 3.367 1.00 0.00 C ATOM 1610 O ASP A 105 10.909 3.047 3.750 1.00 0.00 O ATOM 1611 CB ASP A 105 12.124 5.893 4.956 1.00 0.00 C ATOM 1612 CG ASP A 105 12.236 5.227 6.314 1.00 0.00 C ATOM 1613 OD1 ASP A 105 11.914 4.025 6.413 1.00 0.00 O ATOM 1614 OD2 ASP A 105 12.645 5.909 7.278 1.00 0.00 O ATOM 0 H ASP A 105 9.993 4.472 5.807 1.00 0.00 H new ATOM 0 HA ASP A 105 10.599 6.194 3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.027 5.691 4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.065 6.973 5.088 1.00 0.00 H new ATOM 1619 N LEU A 106 11.958 4.361 2.254 1.00 0.00 N ATOM 1620 CA LEU A 106 12.361 3.251 1.397 1.00 0.00 C ATOM 1621 C LEU A 106 13.057 2.163 2.207 1.00 0.00 C ATOM 1622 O LEU A 106 13.048 0.992 1.828 1.00 0.00 O ATOM 1623 CB LEU A 106 13.288 3.749 0.287 1.00 0.00 C ATOM 1624 CG LEU A 106 13.595 2.750 -0.829 1.00 0.00 C ATOM 1625 CD1 LEU A 106 12.356 2.492 -1.671 1.00 0.00 C ATOM 1626 CD2 LEU A 106 14.737 3.256 -1.698 1.00 0.00 C ATOM 0 H LEU A 106 12.257 5.279 1.924 1.00 0.00 H new ATOM 0 HA LEU A 106 11.463 2.826 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.842 4.637 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.230 4.059 0.739 1.00 0.00 H new ATOM 0 HG LEU A 106 13.901 1.808 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.594 1.779 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.566 2.085 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.018 3.427 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.942 2.532 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.459 4.211 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 106 15.629 3.388 -1.086 1.00 0.00 H new ATOM 1638 N GLU A 107 13.658 2.557 3.326 1.00 0.00 N ATOM 1639 CA GLU A 107 14.358 1.614 4.190 1.00 0.00 C ATOM 1640 C GLU A 107 13.376 0.652 4.852 1.00 0.00 C ATOM 1641 O GLU A 107 13.565 -0.565 4.822 1.00 0.00 O ATOM 1642 CB GLU A 107 15.155 2.363 5.259 1.00 0.00 C ATOM 1643 CG GLU A 107 16.575 2.700 4.835 1.00 0.00 C ATOM 1644 CD GLU A 107 16.673 4.046 4.144 1.00 0.00 C ATOM 1645 OE1 GLU A 107 15.682 4.461 3.508 1.00 0.00 O ATOM 1646 OE2 GLU A 107 17.742 4.686 4.241 1.00 0.00 O ATOM 0 H GLU A 107 13.674 3.522 3.655 1.00 0.00 H new ATOM 0 HA GLU A 107 15.046 1.036 3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 107 14.631 3.285 5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 107 15.189 1.758 6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.222 2.698 5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.944 1.924 4.165 1.00 0.00 H new ATOM 1653 N HIS A 108 12.327 1.206 5.452 1.00 0.00 N ATOM 1654 CA HIS A 108 11.314 0.398 6.122 1.00 0.00 C ATOM 1655 C HIS A 108 10.356 -0.222 5.110 1.00 0.00 C ATOM 1656 O HIS A 108 10.108 -1.428 5.132 1.00 0.00 O ATOM 1657 CB HIS A 108 10.535 1.248 7.126 1.00 0.00 C ATOM 1658 CG HIS A 108 11.163 1.295 8.485 1.00 0.00 C ATOM 1659 ND1 HIS A 108 10.432 1.423 9.648 1.00 0.00 N ATOM 1660 CD2 HIS A 108 12.461 1.230 8.864 1.00 0.00 C ATOM 1661 CE1 HIS A 108 11.253 1.435 10.682 1.00 0.00 C ATOM 1662 NE2 HIS A 108 12.490 1.319 10.234 1.00 0.00 N ATOM 0 H HIS A 108 12.156 2.211 5.488 1.00 0.00 H new ATOM 0 HA HIS A 108 11.821 -0.406 6.655 1.00 0.00 H new ATOM 0 HB2 HIS A 108 10.448 2.263 6.740 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.523 0.853 7.216 1.00 0.00 H new ATOM 0 HD2 HIS A 108 13.315 1.127 8.211 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.962 1.524 11.718 1.00 0.00 H new ATOM 0 HE2 HIS A 108 13.330 1.299 10.812 1.00 0.00 H new ATOM 1671 N LEU A 109 9.818 0.611 4.225 1.00 0.00 N ATOM 1672 CA LEU A 109 8.885 0.145 3.205 1.00 0.00 C ATOM 1673 C LEU A 109 9.317 -1.208 2.650 1.00 0.00 C ATOM 1674 O LEU A 109 8.511 -2.133 2.546 1.00 0.00 O ATOM 1675 CB LEU A 109 8.788 1.167 2.071 1.00 0.00 C ATOM 1676 CG LEU A 109 8.103 2.490 2.416 1.00 0.00 C ATOM 1677 CD1 LEU A 109 8.383 3.531 1.344 1.00 0.00 C ATOM 1678 CD2 LEU A 109 6.605 2.286 2.586 1.00 0.00 C ATOM 0 H LEU A 109 10.012 1.612 4.193 1.00 0.00 H new ATOM 0 HA LEU A 109 7.905 0.031 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.796 1.384 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.251 0.709 1.241 1.00 0.00 H new ATOM 0 HG LEU A 109 8.509 2.853 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.888 4.466 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.458 3.698 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.005 3.177 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.134 3.238 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.183 1.900 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.424 1.573 3.391 1.00 0.00 H new ATOM 1690 N SER A 110 10.593 -1.318 2.296 1.00 0.00 N ATOM 1691 CA SER A 110 11.132 -2.558 1.750 1.00 0.00 C ATOM 1692 C SER A 110 11.046 -3.685 2.775 1.00 0.00 C ATOM 1693 O SER A 110 10.794 -4.839 2.427 1.00 0.00 O ATOM 1694 CB SER A 110 12.585 -2.359 1.314 1.00 0.00 C ATOM 1695 OG SER A 110 13.400 -1.984 2.411 1.00 0.00 O ATOM 0 H SER A 110 11.274 -0.563 2.378 1.00 0.00 H new ATOM 0 HA SER A 110 10.534 -2.834 0.881 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.965 -3.280 0.873 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.634 -1.592 0.541 1.00 0.00 H new ATOM 0 HG SER A 110 13.420 -1.007 2.484 1.00 0.00 H new ATOM 1701 N LYS A 111 11.257 -3.342 4.041 1.00 0.00 N ATOM 1702 CA LYS A 111 11.203 -4.323 5.119 1.00 0.00 C ATOM 1703 C LYS A 111 9.768 -4.776 5.370 1.00 0.00 C ATOM 1704 O LYS A 111 9.529 -5.735 6.105 1.00 0.00 O ATOM 1705 CB LYS A 111 11.795 -3.735 6.402 1.00 0.00 C ATOM 1706 CG LYS A 111 13.308 -3.604 6.369 1.00 0.00 C ATOM 1707 CD LYS A 111 13.854 -3.112 7.699 1.00 0.00 C ATOM 1708 CE LYS A 111 14.129 -4.266 8.650 1.00 0.00 C ATOM 1709 NZ LYS A 111 15.293 -5.083 8.209 1.00 0.00 N ATOM 0 H LYS A 111 11.467 -2.392 4.346 1.00 0.00 H new ATOM 0 HA LYS A 111 11.792 -5.189 4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.357 -2.752 6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.511 -4.365 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.753 -4.569 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.597 -2.912 5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 111 14.773 -2.551 7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.140 -2.426 8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.318 -3.875 9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.245 -4.900 8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.649 -5.641 9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.998 -5.724 7.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 16.046 -4.455 7.862 1.00 0.00 H new ATOM 1723 N PHE A 112 8.817 -4.082 4.755 1.00 0.00 N ATOM 1724 CA PHE A 112 7.405 -4.414 4.912 1.00 0.00 C ATOM 1725 C PHE A 112 6.923 -5.295 3.763 1.00 0.00 C ATOM 1726 O PHE A 112 6.092 -6.183 3.954 1.00 0.00 O ATOM 1727 CB PHE A 112 6.564 -3.138 4.979 1.00 0.00 C ATOM 1728 CG PHE A 112 5.092 -3.380 4.799 1.00 0.00 C ATOM 1729 CD1 PHE A 112 4.565 -3.620 3.540 1.00 0.00 C ATOM 1730 CD2 PHE A 112 4.237 -3.369 5.889 1.00 0.00 C ATOM 1731 CE1 PHE A 112 3.212 -3.843 3.372 1.00 0.00 C ATOM 1732 CE2 PHE A 112 2.882 -3.591 5.726 1.00 0.00 C ATOM 1733 CZ PHE A 112 2.369 -3.829 4.466 1.00 0.00 C ATOM 0 H PHE A 112 8.998 -3.286 4.143 1.00 0.00 H new ATOM 0 HA PHE A 112 7.288 -4.967 5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.729 -2.653 5.941 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.907 -2.446 4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.219 -3.633 2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.633 -3.185 6.877 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.814 -4.028 2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.225 -3.578 6.583 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.311 -4.004 4.336 1.00 0.00 H new ATOM 1743 N ILE A 113 7.450 -5.042 2.569 1.00 0.00 N ATOM 1744 CA ILE A 113 7.074 -5.811 1.390 1.00 0.00 C ATOM 1745 C ILE A 113 7.688 -7.207 1.425 1.00 0.00 C ATOM 1746 O ILE A 113 6.996 -8.206 1.227 1.00 0.00 O ATOM 1747 CB ILE A 113 7.510 -5.104 0.094 1.00 0.00 C ATOM 1748 CG1 ILE A 113 6.839 -3.733 -0.016 1.00 0.00 C ATOM 1749 CG2 ILE A 113 7.174 -5.962 -1.117 1.00 0.00 C ATOM 1750 CD1 ILE A 113 7.428 -2.856 -1.099 1.00 0.00 C ATOM 0 H ILE A 113 8.139 -4.310 2.393 1.00 0.00 H new ATOM 0 HA ILE A 113 5.987 -5.894 1.401 1.00 0.00 H new ATOM 0 HB ILE A 113 8.590 -4.958 0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.776 -3.873 -0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.922 -3.219 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.488 -5.448 -2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.694 -6.917 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.099 -6.136 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.903 -1.901 -1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.485 -2.685 -0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.321 -3.349 -2.065 1.00 0.00 H new ATOM 1762 N ASP A 114 8.990 -7.268 1.681 1.00 0.00 N ATOM 1763 CA ASP A 114 9.697 -8.541 1.746 1.00 0.00 C ATOM 1764 C ASP A 114 9.010 -9.496 2.718 1.00 0.00 C ATOM 1765 O ASP A 114 8.956 -10.702 2.483 1.00 0.00 O ATOM 1766 CB ASP A 114 11.150 -8.321 2.170 1.00 0.00 C ATOM 1767 CG ASP A 114 11.817 -9.599 2.639 1.00 0.00 C ATOM 1768 OD1 ASP A 114 11.664 -9.946 3.829 1.00 0.00 O ATOM 1769 OD2 ASP A 114 12.491 -10.253 1.816 1.00 0.00 O ATOM 0 H ASP A 114 9.577 -6.451 1.847 1.00 0.00 H new ATOM 0 HA ASP A 114 9.680 -8.988 0.752 1.00 0.00 H new ATOM 0 HB2 ASP A 114 11.711 -7.908 1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 114 11.184 -7.582 2.971 1.00 0.00 H new ATOM 1774 N GLU A 115 8.488 -8.946 3.810 1.00 0.00 N ATOM 1775 CA GLU A 115 7.807 -9.750 4.817 1.00 0.00 C ATOM 1776 C GLU A 115 6.435 -10.198 4.320 1.00 0.00 C ATOM 1777 O GLU A 115 6.126 -11.390 4.307 1.00 0.00 O ATOM 1778 CB GLU A 115 7.656 -8.957 6.118 1.00 0.00 C ATOM 1779 CG GLU A 115 8.865 -9.054 7.033 1.00 0.00 C ATOM 1780 CD GLU A 115 8.931 -10.376 7.774 1.00 0.00 C ATOM 1781 OE1 GLU A 115 7.865 -10.990 7.986 1.00 0.00 O ATOM 1782 OE2 GLU A 115 10.048 -10.795 8.141 1.00 0.00 O ATOM 0 H GLU A 115 8.524 -7.948 4.019 1.00 0.00 H new ATOM 0 HA GLU A 115 8.412 -10.636 5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.477 -7.909 5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.776 -9.316 6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.773 -8.926 6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.836 -8.238 7.755 1.00 0.00 H new ATOM 1789 N HIS A 116 5.616 -9.233 3.911 1.00 0.00 N ATOM 1790 CA HIS A 116 4.278 -9.527 3.413 1.00 0.00 C ATOM 1791 C HIS A 116 4.316 -9.880 1.929 1.00 0.00 C ATOM 1792 O HIS A 116 3.289 -9.867 1.252 1.00 0.00 O ATOM 1793 CB HIS A 116 3.352 -8.332 3.641 1.00 0.00 C ATOM 1794 CG HIS A 116 2.983 -8.126 5.078 1.00 0.00 C ATOM 1795 ND1 HIS A 116 2.587 -9.153 5.909 1.00 0.00 N ATOM 1796 CD2 HIS A 116 2.954 -7.002 5.832 1.00 0.00 C ATOM 1797 CE1 HIS A 116 2.329 -8.670 7.111 1.00 0.00 C ATOM 1798 NE2 HIS A 116 2.544 -7.367 7.091 1.00 0.00 N ATOM 0 H HIS A 116 5.856 -8.242 3.915 1.00 0.00 H new ATOM 0 HA HIS A 116 3.893 -10.386 3.963 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.837 -7.431 3.266 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.442 -8.471 3.057 1.00 0.00 H new ATOM 0 HD2 HIS A 116 3.206 -6.004 5.505 1.00 0.00 H new ATOM 0 HE1 HIS A 116 1.999 -9.243 7.965 1.00 0.00 H new ATOM 0 HE2 HIS A 116 2.425 -6.734 7.882 1.00 0.00 H new