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 164:sc= -8.16! (180deg=-6.95!) USER MOD Set 1.2: A 74 ASN : amide:sc= -1.22 K(o=-11,f=-12!) USER MOD Set 1.3: A 77 TYR OH : rot 0:sc= -1.3 USER MOD Set 2.1: A 33 TYR OH : rot -37:sc= 0.788 USER MOD Set 2.2: A 64 LYS NZ :NH3+ -135:sc= -0.0778 (180deg=-1.3!) USER MOD Single : A 10 LYS NZ :NH3+ 166:sc= 1.05 (180deg=0.91) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.637 USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= -0.162 (180deg=-0.714) USER MOD Single : A 26 LYS NZ :NH3+ 150:sc= -0.489 (180deg=-2.08!) USER MOD Single : A 37 CYS SG : rot -170:sc= -0.0918 USER MOD Single : A 39 HIS : no HD1:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 40 CYS SG : rot -0:sc= -0.929 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.481 USER MOD Single : A 48 THR OG1 : rot 70:sc= 0.0958 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+ 177:sc= -0.846 (180deg=-0.9) USER MOD Single : A 54 TYR OH : rot -159:sc= -0.791 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN :FLIP amide:sc= -6.32! C(o=-6.9!,f=-6.3!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 139:sc= -1.77 (180deg=-5.59!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.579 K(o=0.58,f=-2.6!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.82) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 110:sc= 0.295 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 29:sc= 1.15 USER MOD Single : A 93 LYS NZ :NH3+ 159:sc= -2.85 (180deg=-3.26) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0.0158 X(o=0.016,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 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot -100:sc= 0.347 USER MOD Single : A 111 LYS NZ :NH3+ -125:sc= 1.28 (180deg=0.273) USER MOD Single : A 116 HIS :FLIP no HD1:sc= -2.34 F(o=-3.4!,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 8.027 3.958 -12.930 1.00 0.00 N ATOM 67 CA PRO A 8 8.002 2.543 -12.549 1.00 0.00 C ATOM 68 C PRO A 8 6.692 2.147 -11.876 1.00 0.00 C ATOM 69 O PRO A 8 6.127 1.093 -12.168 1.00 0.00 O ATOM 70 CB PRO A 8 9.167 2.421 -11.563 1.00 0.00 C ATOM 71 CG PRO A 8 9.333 3.790 -11.001 1.00 0.00 C ATOM 72 CD PRO A 8 8.966 4.740 -12.108 1.00 0.00 C ATOM 0 HA PRO A 8 8.087 1.886 -13.415 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.948 1.695 -10.780 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.075 2.086 -12.063 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.690 3.936 -10.133 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.358 3.954 -10.670 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.502 5.648 -11.722 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.841 5.048 -12.680 1.00 0.00 H new ATOM 80 N VAL A 9 6.214 2.999 -10.975 1.00 0.00 N ATOM 81 CA VAL A 9 4.969 2.738 -10.262 1.00 0.00 C ATOM 82 C VAL A 9 3.788 2.670 -11.225 1.00 0.00 C ATOM 83 O VAL A 9 3.701 3.448 -12.175 1.00 0.00 O ATOM 84 CB VAL A 9 4.691 3.821 -9.203 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.438 3.483 -8.410 1.00 0.00 C ATOM 86 CG2 VAL A 9 5.889 3.982 -8.280 1.00 0.00 C ATOM 0 H VAL A 9 6.670 3.876 -10.721 1.00 0.00 H new ATOM 0 HA VAL A 9 5.085 1.775 -9.765 1.00 0.00 H new ATOM 0 HB VAL A 9 4.524 4.770 -9.713 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.257 4.259 -7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.585 3.422 -9.086 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.572 2.525 -7.908 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.676 4.751 -7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.089 3.037 -7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.762 4.274 -8.864 1.00 0.00 H new ATOM 96 N LYS A 10 2.880 1.733 -10.973 1.00 0.00 N ATOM 97 CA LYS A 10 1.702 1.562 -11.815 1.00 0.00 C ATOM 98 C LYS A 10 0.505 2.309 -11.234 1.00 0.00 C ATOM 99 O LYS A 10 0.208 2.195 -10.045 1.00 0.00 O ATOM 100 CB LYS A 10 1.367 0.077 -11.964 1.00 0.00 C ATOM 101 CG LYS A 10 0.018 -0.181 -12.613 1.00 0.00 C ATOM 102 CD LYS A 10 0.141 -0.306 -14.123 1.00 0.00 C ATOM 103 CE LYS A 10 -1.224 -0.390 -14.788 1.00 0.00 C ATOM 104 NZ LYS A 10 -1.827 0.957 -14.988 1.00 0.00 N ATOM 0 H LYS A 10 2.938 1.080 -10.192 1.00 0.00 H new ATOM 0 HA LYS A 10 1.925 1.978 -12.798 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.144 -0.404 -12.558 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.382 -0.391 -10.980 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.414 -1.095 -12.205 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.666 0.632 -12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.687 0.551 -14.517 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.722 -1.194 -14.370 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.129 -0.892 -15.751 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.889 -0.999 -14.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.630 0.884 -15.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.159 1.328 -14.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.113 1.601 -15.384 1.00 0.00 H new ATOM 118 N VAL A 11 -0.179 3.071 -12.082 1.00 0.00 N ATOM 119 CA VAL A 11 -1.345 3.834 -11.653 1.00 0.00 C ATOM 120 C VAL A 11 -2.605 2.977 -11.687 1.00 0.00 C ATOM 121 O VAL A 11 -2.840 2.236 -12.641 1.00 0.00 O ATOM 122 CB VAL A 11 -1.559 5.077 -12.538 1.00 0.00 C ATOM 123 CG1 VAL A 11 -1.803 6.308 -11.679 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.366 5.286 -13.458 1.00 0.00 C ATOM 0 H VAL A 11 0.054 3.176 -13.069 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.154 4.155 -10.629 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.442 4.915 -13.156 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.952 7.176 -12.321 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.691 6.154 -11.066 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.941 6.478 -11.033 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.533 6.168 -14.076 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.534 5.428 -12.860 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.243 4.412 -14.098 1.00 0.00 H new ATOM 134 N VAL A 12 -3.414 3.083 -10.637 1.00 0.00 N ATOM 135 CA VAL A 12 -4.653 2.318 -10.547 1.00 0.00 C ATOM 136 C VAL A 12 -5.823 3.213 -10.154 1.00 0.00 C ATOM 137 O VAL A 12 -5.713 4.034 -9.243 1.00 0.00 O ATOM 138 CB VAL A 12 -4.531 1.172 -9.525 1.00 0.00 C ATOM 139 CG1 VAL A 12 -5.854 0.432 -9.393 1.00 0.00 C ATOM 140 CG2 VAL A 12 -3.416 0.218 -9.926 1.00 0.00 C ATOM 0 H VAL A 12 -3.234 3.690 -9.838 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.838 1.896 -11.535 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.282 1.599 -8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.749 -0.374 -8.667 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.626 1.124 -9.058 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.136 0.015 -10.360 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.344 -0.586 -9.193 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.634 -0.204 -10.907 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.471 0.759 -9.966 1.00 0.00 H new ATOM 150 N VAL A 13 -6.946 3.047 -10.846 1.00 0.00 N ATOM 151 CA VAL A 13 -8.139 3.839 -10.569 1.00 0.00 C ATOM 152 C VAL A 13 -9.250 2.972 -9.988 1.00 0.00 C ATOM 153 O VAL A 13 -9.050 1.790 -9.711 1.00 0.00 O ATOM 154 CB VAL A 13 -8.657 4.537 -11.840 1.00 0.00 C ATOM 155 CG1 VAL A 13 -7.648 5.559 -12.338 1.00 0.00 C ATOM 156 CG2 VAL A 13 -8.968 3.512 -12.920 1.00 0.00 C ATOM 0 H VAL A 13 -7.055 2.371 -11.602 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.854 4.597 -9.839 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.579 5.064 -11.594 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.032 6.041 -13.237 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.480 6.310 -11.566 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.707 5.059 -12.569 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.333 4.022 -13.811 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.063 2.956 -13.165 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.731 2.823 -12.558 1.00 0.00 H new ATOM 166 N GLY A 14 -10.425 3.568 -9.807 1.00 0.00 N ATOM 167 CA GLY A 14 -11.552 2.835 -9.261 1.00 0.00 C ATOM 168 C GLY A 14 -12.076 1.781 -10.216 1.00 0.00 C ATOM 169 O GLY A 14 -12.692 0.801 -9.794 1.00 0.00 O ATOM 0 H GLY A 14 -10.616 4.545 -10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.253 2.358 -8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.353 3.533 -9.020 1.00 0.00 H new ATOM 173 N LYS A 15 -11.832 1.980 -11.506 1.00 0.00 N ATOM 174 CA LYS A 15 -12.283 1.040 -12.525 1.00 0.00 C ATOM 175 C LYS A 15 -11.272 -0.087 -12.712 1.00 0.00 C ATOM 176 O LYS A 15 -11.593 -1.139 -13.264 1.00 0.00 O ATOM 177 CB LYS A 15 -12.508 1.764 -13.854 1.00 0.00 C ATOM 178 CG LYS A 15 -11.257 1.864 -14.711 1.00 0.00 C ATOM 179 CD LYS A 15 -11.182 0.732 -15.722 1.00 0.00 C ATOM 180 CE LYS A 15 -12.310 0.816 -16.738 1.00 0.00 C ATOM 181 NZ LYS A 15 -12.007 0.036 -17.970 1.00 0.00 N ATOM 0 H LYS A 15 -11.324 2.785 -11.871 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.226 0.607 -12.191 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.283 1.242 -14.416 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.882 2.768 -13.653 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.248 2.821 -15.233 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.374 1.841 -14.072 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.223 0.767 -16.238 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.230 -0.225 -15.202 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.231 0.443 -16.290 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.484 1.859 -17.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.800 0.119 -18.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.142 0.408 -18.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.866 -0.964 -17.722 1.00 0.00 H new ATOM 195 N THR A 16 -10.047 0.141 -12.247 1.00 0.00 N ATOM 196 CA THR A 16 -8.989 -0.854 -12.363 1.00 0.00 C ATOM 197 C THR A 16 -8.493 -1.292 -10.989 1.00 0.00 C ATOM 198 O THR A 16 -7.527 -2.048 -10.878 1.00 0.00 O ATOM 199 CB THR A 16 -7.798 -0.316 -13.178 1.00 0.00 C ATOM 200 OG1 THR A 16 -7.230 0.823 -12.522 1.00 0.00 O ATOM 201 CG2 THR A 16 -8.234 0.068 -14.584 1.00 0.00 C ATOM 0 H THR A 16 -9.764 1.006 -11.787 1.00 0.00 H new ATOM 0 HA THR A 16 -9.417 -1.711 -12.882 1.00 0.00 H new ATOM 0 HB THR A 16 -7.049 -1.105 -13.249 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.472 1.158 -13.046 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.376 0.445 -15.141 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.639 -0.808 -15.091 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.000 0.842 -14.529 1.00 0.00 H new ATOM 209 N PHE A 17 -9.160 -0.813 -9.944 1.00 0.00 N ATOM 210 CA PHE A 17 -8.787 -1.155 -8.577 1.00 0.00 C ATOM 211 C PHE A 17 -9.098 -2.618 -8.278 1.00 0.00 C ATOM 212 O PHE A 17 -8.197 -3.415 -8.016 1.00 0.00 O ATOM 213 CB PHE A 17 -9.522 -0.252 -7.584 1.00 0.00 C ATOM 214 CG PHE A 17 -9.203 -0.556 -6.148 1.00 0.00 C ATOM 215 CD1 PHE A 17 -9.650 -1.727 -5.558 1.00 0.00 C ATOM 216 CD2 PHE A 17 -8.457 0.330 -5.388 1.00 0.00 C ATOM 217 CE1 PHE A 17 -9.358 -2.010 -4.237 1.00 0.00 C ATOM 218 CE2 PHE A 17 -8.161 0.052 -4.066 1.00 0.00 C ATOM 219 CZ PHE A 17 -8.614 -1.119 -3.490 1.00 0.00 C ATOM 0 H PHE A 17 -9.962 -0.187 -10.018 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.713 -1.001 -8.471 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.267 0.787 -7.792 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.596 -0.354 -7.739 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.234 -2.427 -6.137 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.103 1.248 -5.833 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.712 -2.927 -3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.576 0.750 -3.485 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.386 -1.337 -2.457 1.00 0.00 H new ATOM 229 N ASP A 18 -10.380 -2.964 -8.318 1.00 0.00 N ATOM 230 CA ASP A 18 -10.812 -4.331 -8.052 1.00 0.00 C ATOM 231 C ASP A 18 -10.281 -5.286 -9.117 1.00 0.00 C ATOM 232 O ASP A 18 -10.435 -6.502 -9.007 1.00 0.00 O ATOM 233 CB ASP A 18 -12.339 -4.405 -7.999 1.00 0.00 C ATOM 234 CG ASP A 18 -12.887 -4.075 -6.624 1.00 0.00 C ATOM 235 OD1 ASP A 18 -12.188 -3.381 -5.857 1.00 0.00 O ATOM 236 OD2 ASP A 18 -14.016 -4.511 -6.316 1.00 0.00 O ATOM 0 H ASP A 18 -11.138 -2.316 -8.532 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.408 -4.632 -7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.759 -3.714 -8.730 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.662 -5.406 -8.285 1.00 0.00 H new ATOM 241 N ALA A 19 -9.658 -4.726 -10.148 1.00 0.00 N ATOM 242 CA ALA A 19 -9.103 -5.527 -11.232 1.00 0.00 C ATOM 243 C ALA A 19 -7.606 -5.744 -11.044 1.00 0.00 C ATOM 244 O ALA A 19 -7.107 -6.860 -11.199 1.00 0.00 O ATOM 245 CB ALA A 19 -9.378 -4.863 -12.573 1.00 0.00 C ATOM 0 H ALA A 19 -9.525 -3.720 -10.256 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.589 -6.502 -11.215 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.958 -5.472 -13.373 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.454 -4.766 -12.717 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.919 -3.874 -12.590 1.00 0.00 H new ATOM 251 N ILE A 20 -6.894 -4.673 -10.711 1.00 0.00 N ATOM 252 CA ILE A 20 -5.454 -4.747 -10.502 1.00 0.00 C ATOM 253 C ILE A 20 -5.121 -4.908 -9.022 1.00 0.00 C ATOM 254 O ILE A 20 -4.612 -5.946 -8.599 1.00 0.00 O ATOM 255 CB ILE A 20 -4.740 -3.495 -11.044 1.00 0.00 C ATOM 256 CG1 ILE A 20 -4.928 -3.390 -12.559 1.00 0.00 C ATOM 257 CG2 ILE A 20 -3.262 -3.532 -10.689 1.00 0.00 C ATOM 258 CD1 ILE A 20 -4.605 -2.021 -13.115 1.00 0.00 C ATOM 0 H ILE A 20 -7.292 -3.743 -10.580 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.101 -5.621 -11.049 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.182 -2.613 -10.580 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.295 -4.130 -13.048 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.960 -3.640 -12.807 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.772 -2.640 -11.079 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.149 -3.564 -9.605 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.805 -4.419 -11.128 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.761 -2.020 -14.194 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.256 -1.278 -12.654 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.565 -1.776 -12.898 1.00 0.00 H new ATOM 270 N VAL A 21 -5.413 -3.874 -8.240 1.00 0.00 N ATOM 271 CA VAL A 21 -5.148 -3.901 -6.807 1.00 0.00 C ATOM 272 C VAL A 21 -5.776 -5.127 -6.154 1.00 0.00 C ATOM 273 O VAL A 21 -5.447 -5.477 -5.021 1.00 0.00 O ATOM 274 CB VAL A 21 -5.681 -2.633 -6.113 1.00 0.00 C ATOM 275 CG1 VAL A 21 -5.449 -2.708 -4.612 1.00 0.00 C ATOM 276 CG2 VAL A 21 -5.029 -1.391 -6.700 1.00 0.00 C ATOM 0 H VAL A 21 -5.833 -3.007 -8.575 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.065 -3.944 -6.687 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.755 -2.569 -6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.832 -1.804 -4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.967 -3.577 -4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.381 -2.797 -4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.417 -0.505 -6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.950 -1.445 -6.558 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.252 -1.332 -7.765 1.00 0.00 H new ATOM 286 N MET A 22 -6.683 -5.776 -6.877 1.00 0.00 N ATOM 287 CA MET A 22 -7.357 -6.965 -6.369 1.00 0.00 C ATOM 288 C MET A 22 -7.084 -8.169 -7.264 1.00 0.00 C ATOM 289 O MET A 22 -7.940 -9.039 -7.429 1.00 0.00 O ATOM 290 CB MET A 22 -8.864 -6.720 -6.270 1.00 0.00 C ATOM 291 CG MET A 22 -9.252 -5.760 -5.157 1.00 0.00 C ATOM 292 SD MET A 22 -8.905 -6.423 -3.516 1.00 0.00 S ATOM 293 CE MET A 22 -8.409 -4.937 -2.649 1.00 0.00 C ATOM 0 H MET A 22 -6.968 -5.498 -7.816 1.00 0.00 H new ATOM 0 HA MET A 22 -6.964 -7.177 -5.375 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.223 -6.325 -7.221 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.369 -7.673 -6.109 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.713 -4.822 -5.287 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.315 -5.530 -5.235 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.436 -5.117 -1.574 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.396 -4.664 -2.946 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.092 -4.125 -2.899 1.00 0.00 H new ATOM 303 N ASP A 23 -5.888 -8.213 -7.840 1.00 0.00 N ATOM 304 CA ASP A 23 -5.502 -9.312 -8.718 1.00 0.00 C ATOM 305 C ASP A 23 -5.045 -10.521 -7.907 1.00 0.00 C ATOM 306 O ASP A 23 -3.996 -10.507 -7.263 1.00 0.00 O ATOM 307 CB ASP A 23 -4.387 -8.868 -9.666 1.00 0.00 C ATOM 308 CG ASP A 23 -4.916 -8.423 -11.015 1.00 0.00 C ATOM 309 OD1 ASP A 23 -5.967 -8.947 -11.442 1.00 0.00 O ATOM 310 OD2 ASP A 23 -4.281 -7.552 -11.644 1.00 0.00 O ATOM 0 H ASP A 23 -5.169 -7.501 -7.715 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.375 -9.599 -9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.831 -8.049 -9.209 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.686 -9.690 -9.807 1.00 0.00 H new ATOM 315 N PRO A 24 -5.851 -11.592 -7.937 1.00 0.00 N ATOM 316 CA PRO A 24 -5.551 -12.829 -7.210 1.00 0.00 C ATOM 317 C PRO A 24 -4.367 -13.581 -7.809 1.00 0.00 C ATOM 318 O PRO A 24 -4.019 -14.673 -7.358 1.00 0.00 O ATOM 319 CB PRO A 24 -6.836 -13.649 -7.360 1.00 0.00 C ATOM 320 CG PRO A 24 -7.467 -13.140 -8.609 1.00 0.00 C ATOM 321 CD PRO A 24 -7.118 -11.679 -8.684 1.00 0.00 C ATOM 0 HA PRO A 24 -5.271 -12.635 -6.175 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.619 -14.715 -7.432 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.494 -13.515 -6.501 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.093 -13.676 -9.481 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.547 -13.282 -8.586 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.000 -11.346 -9.715 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.893 -11.057 -8.235 1.00 0.00 H new ATOM 329 N LYS A 25 -3.751 -12.990 -8.827 1.00 0.00 N ATOM 330 CA LYS A 25 -2.604 -13.602 -9.487 1.00 0.00 C ATOM 331 C LYS A 25 -1.308 -13.249 -8.764 1.00 0.00 C ATOM 332 O LYS A 25 -0.435 -14.098 -8.583 1.00 0.00 O ATOM 333 CB LYS A 25 -2.527 -13.147 -10.946 1.00 0.00 C ATOM 334 CG LYS A 25 -3.757 -13.506 -11.761 1.00 0.00 C ATOM 335 CD LYS A 25 -3.429 -13.638 -13.239 1.00 0.00 C ATOM 336 CE LYS A 25 -2.916 -15.030 -13.573 1.00 0.00 C ATOM 337 NZ LYS A 25 -3.942 -16.077 -13.311 1.00 0.00 N ATOM 0 H LYS A 25 -4.027 -12.087 -9.213 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.733 -14.684 -9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.386 -12.067 -10.974 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.649 -13.595 -11.412 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.176 -14.444 -11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.521 -12.741 -11.624 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.319 -13.425 -13.831 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.679 -12.897 -13.514 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.620 -15.066 -14.621 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.024 -15.240 -12.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.763 -16.899 -13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.893 -16.370 -12.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.888 -15.694 -13.513 1.00 0.00 H new ATOM 351 N LYS A 26 -1.189 -11.992 -8.352 1.00 0.00 N ATOM 352 CA LYS A 26 -0.001 -11.526 -7.646 1.00 0.00 C ATOM 353 C LYS A 26 -0.365 -10.476 -6.602 1.00 0.00 C ATOM 354 O LYS A 26 -1.417 -9.841 -6.687 1.00 0.00 O ATOM 355 CB LYS A 26 1.011 -10.946 -8.637 1.00 0.00 C ATOM 356 CG LYS A 26 0.468 -9.786 -9.453 1.00 0.00 C ATOM 357 CD LYS A 26 1.588 -8.972 -10.078 1.00 0.00 C ATOM 358 CE LYS A 26 2.187 -9.681 -11.283 1.00 0.00 C ATOM 359 NZ LYS A 26 3.575 -9.220 -11.565 1.00 0.00 N ATOM 0 H LYS A 26 -1.902 -11.276 -8.495 1.00 0.00 H new ATOM 0 HA LYS A 26 0.446 -12.379 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.893 -10.613 -8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.336 -11.735 -9.315 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.188 -10.166 -10.236 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.138 -9.143 -8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.205 -7.997 -10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.366 -8.792 -9.336 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.190 -10.757 -11.107 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.561 -9.503 -12.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.117 -9.995 -11.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.546 -8.411 -12.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.032 -8.931 -10.677 1.00 0.00 H new ATOM 373 N ASP A 27 0.510 -10.297 -5.619 1.00 0.00 N ATOM 374 CA ASP A 27 0.282 -9.321 -4.560 1.00 0.00 C ATOM 375 C ASP A 27 0.585 -7.908 -5.048 1.00 0.00 C ATOM 376 O ASP A 27 1.727 -7.584 -5.374 1.00 0.00 O ATOM 377 CB ASP A 27 1.145 -9.649 -3.341 1.00 0.00 C ATOM 378 CG ASP A 27 1.393 -11.137 -3.190 1.00 0.00 C ATOM 379 OD1 ASP A 27 0.491 -11.927 -3.540 1.00 0.00 O ATOM 380 OD2 ASP A 27 2.488 -11.512 -2.721 1.00 0.00 O ATOM 0 H ASP A 27 1.384 -10.815 -5.533 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.769 -9.370 -4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.100 -9.131 -3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.657 -9.272 -2.442 1.00 0.00 H new ATOM 385 N VAL A 28 -0.446 -7.070 -5.097 1.00 0.00 N ATOM 386 CA VAL A 28 -0.290 -5.692 -5.546 1.00 0.00 C ATOM 387 C VAL A 28 -0.335 -4.723 -4.370 1.00 0.00 C ATOM 388 O VAL A 28 -1.282 -4.728 -3.582 1.00 0.00 O ATOM 389 CB VAL A 28 -1.384 -5.304 -6.558 1.00 0.00 C ATOM 390 CG1 VAL A 28 -1.257 -3.839 -6.947 1.00 0.00 C ATOM 391 CG2 VAL A 28 -1.313 -6.198 -7.787 1.00 0.00 C ATOM 0 H VAL A 28 -1.398 -7.322 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 28 0.684 -5.626 -6.031 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.357 -5.447 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.038 -3.584 -7.663 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.361 -3.216 -6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.280 -3.666 -7.399 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.093 -5.910 -8.492 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.337 -6.088 -8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.458 -7.237 -7.490 1.00 0.00 H new ATOM 401 N LEU A 29 0.695 -3.891 -4.256 1.00 0.00 N ATOM 402 CA LEU A 29 0.773 -2.914 -3.175 1.00 0.00 C ATOM 403 C LEU A 29 0.208 -1.568 -3.616 1.00 0.00 C ATOM 404 O LEU A 29 0.859 -0.818 -4.344 1.00 0.00 O ATOM 405 CB LEU A 29 2.224 -2.746 -2.718 1.00 0.00 C ATOM 406 CG LEU A 29 2.457 -1.755 -1.578 1.00 0.00 C ATOM 407 CD1 LEU A 29 2.051 -2.368 -0.246 1.00 0.00 C ATOM 408 CD2 LEU A 29 3.914 -1.316 -1.542 1.00 0.00 C ATOM 0 H LEU A 29 1.487 -3.873 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 29 0.175 -3.282 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.602 -3.721 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.820 -2.431 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 29 1.837 -0.876 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.224 -1.648 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.994 -2.632 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.644 -3.264 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.061 -0.611 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.553 -2.186 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.173 -0.836 -2.486 1.00 0.00 H new ATOM 420 N ILE A 30 -1.007 -1.267 -3.168 1.00 0.00 N ATOM 421 CA ILE A 30 -1.658 -0.010 -3.513 1.00 0.00 C ATOM 422 C ILE A 30 -1.347 1.071 -2.484 1.00 0.00 C ATOM 423 O ILE A 30 -1.487 0.855 -1.281 1.00 0.00 O ATOM 424 CB ILE A 30 -3.185 -0.178 -3.619 1.00 0.00 C ATOM 425 CG1 ILE A 30 -3.827 1.110 -4.142 1.00 0.00 C ATOM 426 CG2 ILE A 30 -3.771 -0.558 -2.268 1.00 0.00 C ATOM 427 CD1 ILE A 30 -3.392 1.475 -5.544 1.00 0.00 C ATOM 0 H ILE A 30 -1.560 -1.877 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.265 0.293 -4.484 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.399 -0.981 -4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.911 0.999 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.579 1.930 -3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.851 -0.673 -2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.333 -1.498 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.550 0.225 -1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.886 2.397 -5.850 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.312 1.618 -5.564 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.665 0.673 -6.230 1.00 0.00 H new ATOM 439 N GLU A 31 -0.926 2.236 -2.967 1.00 0.00 N ATOM 440 CA GLU A 31 -0.596 3.352 -2.087 1.00 0.00 C ATOM 441 C GLU A 31 -1.454 4.572 -2.412 1.00 0.00 C ATOM 442 O GLU A 31 -1.225 5.259 -3.407 1.00 0.00 O ATOM 443 CB GLU A 31 0.886 3.709 -2.214 1.00 0.00 C ATOM 444 CG GLU A 31 1.264 5.000 -1.507 1.00 0.00 C ATOM 445 CD GLU A 31 2.743 5.315 -1.618 1.00 0.00 C ATOM 446 OE1 GLU A 31 3.516 4.837 -0.761 1.00 0.00 O ATOM 447 OE2 GLU A 31 3.127 6.038 -2.560 1.00 0.00 O ATOM 0 H GLU A 31 -0.805 2.432 -3.961 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.802 3.047 -1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.484 2.893 -1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.141 3.795 -3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.688 5.823 -1.930 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.990 4.927 -0.455 1.00 0.00 H new ATOM 454 N PHE A 32 -2.443 4.835 -1.564 1.00 0.00 N ATOM 455 CA PHE A 32 -3.336 5.971 -1.760 1.00 0.00 C ATOM 456 C PHE A 32 -2.648 7.277 -1.375 1.00 0.00 C ATOM 457 O PHE A 32 -2.425 7.550 -0.195 1.00 0.00 O ATOM 458 CB PHE A 32 -4.612 5.791 -0.934 1.00 0.00 C ATOM 459 CG PHE A 32 -5.265 4.452 -1.123 1.00 0.00 C ATOM 460 CD1 PHE A 32 -5.737 4.065 -2.366 1.00 0.00 C ATOM 461 CD2 PHE A 32 -5.406 3.579 -0.056 1.00 0.00 C ATOM 462 CE1 PHE A 32 -6.338 2.833 -2.544 1.00 0.00 C ATOM 463 CE2 PHE A 32 -6.005 2.345 -0.227 1.00 0.00 C ATOM 464 CZ PHE A 32 -6.473 1.972 -1.472 1.00 0.00 C ATOM 0 H PHE A 32 -2.646 4.277 -0.735 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.598 6.017 -2.817 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.374 5.924 0.121 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.322 6.573 -1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.634 4.734 -3.207 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.044 3.866 0.920 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.701 2.544 -3.519 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.107 1.673 0.612 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.943 1.009 -1.607 1.00 0.00 H new ATOM 474 N TYR A 33 -2.313 8.079 -2.379 1.00 0.00 N ATOM 475 CA TYR A 33 -1.647 9.356 -2.148 1.00 0.00 C ATOM 476 C TYR A 33 -2.595 10.521 -2.412 1.00 0.00 C ATOM 477 O TYR A 33 -3.575 10.384 -3.144 1.00 0.00 O ATOM 478 CB TYR A 33 -0.410 9.478 -3.039 1.00 0.00 C ATOM 479 CG TYR A 33 -0.735 9.667 -4.504 1.00 0.00 C ATOM 480 CD1 TYR A 33 -1.144 10.902 -4.991 1.00 0.00 C ATOM 481 CD2 TYR A 33 -0.634 8.610 -5.400 1.00 0.00 C ATOM 482 CE1 TYR A 33 -1.443 11.079 -6.328 1.00 0.00 C ATOM 483 CE2 TYR A 33 -0.930 8.778 -6.739 1.00 0.00 C ATOM 484 CZ TYR A 33 -1.334 10.014 -7.198 1.00 0.00 C ATOM 485 OH TYR A 33 -1.630 10.185 -8.531 1.00 0.00 O ATOM 0 H TYR A 33 -2.491 7.868 -3.361 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.339 9.392 -1.103 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.192 10.320 -2.697 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.200 8.582 -2.923 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.230 11.738 -4.313 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.319 7.640 -5.044 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.760 12.046 -6.690 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.845 7.946 -7.422 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.389 10.799 -8.622 1.00 0.00 H new ATOM 495 N ALA A 34 -2.295 11.668 -1.811 1.00 0.00 N ATOM 496 CA ALA A 34 -3.119 12.858 -1.982 1.00 0.00 C ATOM 497 C ALA A 34 -2.307 14.007 -2.571 1.00 0.00 C ATOM 498 O ALA A 34 -1.221 14.340 -2.094 1.00 0.00 O ATOM 499 CB ALA A 34 -3.734 13.271 -0.653 1.00 0.00 C ATOM 0 H ALA A 34 -1.487 11.798 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.920 12.617 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.347 14.161 -0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.355 12.460 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.941 13.488 0.063 1.00 0.00 H new ATOM 505 N PRO A 35 -2.842 14.628 -3.632 1.00 0.00 N ATOM 506 CA PRO A 35 -2.183 15.750 -4.308 1.00 0.00 C ATOM 507 C PRO A 35 -2.166 17.013 -3.454 1.00 0.00 C ATOM 508 O PRO A 35 -1.661 18.053 -3.878 1.00 0.00 O ATOM 509 CB PRO A 35 -3.039 15.962 -5.559 1.00 0.00 C ATOM 510 CG PRO A 35 -4.382 15.430 -5.194 1.00 0.00 C ATOM 511 CD PRO A 35 -4.132 14.284 -4.253 1.00 0.00 C ATOM 0 HA PRO A 35 -1.135 15.538 -4.522 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.091 17.017 -5.829 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.624 15.433 -6.417 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.991 16.199 -4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.924 15.097 -6.079 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.924 14.194 -3.510 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.082 13.333 -4.783 1.00 0.00 H new ATOM 519 N TRP A 36 -2.719 16.915 -2.251 1.00 0.00 N ATOM 520 CA TRP A 36 -2.766 18.050 -1.337 1.00 0.00 C ATOM 521 C TRP A 36 -2.076 17.718 -0.019 1.00 0.00 C ATOM 522 O TRP A 36 -2.282 18.395 0.989 1.00 0.00 O ATOM 523 CB TRP A 36 -4.216 18.463 -1.078 1.00 0.00 C ATOM 524 CG TRP A 36 -5.149 17.298 -0.941 1.00 0.00 C ATOM 525 CD1 TRP A 36 -6.001 16.814 -1.892 1.00 0.00 C ATOM 526 CD2 TRP A 36 -5.326 16.472 0.216 1.00 0.00 C ATOM 527 NE1 TRP A 36 -6.697 15.737 -1.396 1.00 0.00 N ATOM 528 CE2 TRP A 36 -6.300 15.507 -0.106 1.00 0.00 C ATOM 529 CE3 TRP A 36 -4.754 16.453 1.491 1.00 0.00 C ATOM 530 CZ2 TRP A 36 -6.713 14.536 0.802 1.00 0.00 C ATOM 531 CZ3 TRP A 36 -5.166 15.489 2.391 1.00 0.00 C ATOM 532 CH2 TRP A 36 -6.137 14.541 2.044 1.00 0.00 C ATOM 0 H TRP A 36 -3.141 16.061 -1.886 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.236 18.881 -1.803 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.259 19.063 -0.169 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.557 19.098 -1.895 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.112 17.218 -2.887 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.396 15.197 -1.906 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.004 17.179 1.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.462 13.804 0.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.732 15.466 3.380 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.437 13.800 2.770 1.00 0.00 H new ATOM 543 N CYS A 37 -1.256 16.673 -0.033 1.00 0.00 N ATOM 544 CA CYS A 37 -0.535 16.250 1.163 1.00 0.00 C ATOM 545 C CYS A 37 0.968 16.440 0.987 1.00 0.00 C ATOM 546 O CYS A 37 1.547 16.002 -0.006 1.00 0.00 O ATOM 547 CB CYS A 37 -0.843 14.786 1.478 1.00 0.00 C ATOM 548 SG CYS A 37 -0.065 14.177 2.993 1.00 0.00 S ATOM 0 H CYS A 37 -1.074 16.103 -0.859 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.866 16.870 1.996 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.923 14.663 1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.516 14.169 0.641 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.208 12.887 3.066 1.00 0.00 H new ATOM 554 N GLY A 38 1.593 17.098 1.959 1.00 0.00 N ATOM 555 CA GLY A 38 3.023 17.336 1.891 1.00 0.00 C ATOM 556 C GLY A 38 3.832 16.068 2.081 1.00 0.00 C ATOM 557 O GLY A 38 4.826 15.848 1.389 1.00 0.00 O ATOM 0 H GLY A 38 1.135 17.470 2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.269 17.779 0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.304 18.061 2.655 1.00 0.00 H new ATOM 561 N HIS A 39 3.406 15.232 3.022 1.00 0.00 N ATOM 562 CA HIS A 39 4.099 13.979 3.302 1.00 0.00 C ATOM 563 C HIS A 39 4.174 13.109 2.051 1.00 0.00 C ATOM 564 O HIS A 39 5.019 12.218 1.952 1.00 0.00 O ATOM 565 CB HIS A 39 3.390 13.219 4.424 1.00 0.00 C ATOM 566 CG HIS A 39 3.511 13.879 5.763 1.00 0.00 C ATOM 567 ND1 HIS A 39 4.199 13.318 6.818 1.00 0.00 N ATOM 568 CD2 HIS A 39 3.028 15.059 6.215 1.00 0.00 C ATOM 569 CE1 HIS A 39 4.132 14.125 7.862 1.00 0.00 C ATOM 570 NE2 HIS A 39 3.428 15.189 7.522 1.00 0.00 N ATOM 0 H HIS A 39 2.585 15.399 3.603 1.00 0.00 H new ATOM 0 HA HIS A 39 5.114 14.217 3.620 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.334 13.117 4.172 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.802 12.212 4.486 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.438 15.767 5.652 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.577 13.945 8.829 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.216 15.979 8.131 1.00 0.00 H new ATOM 579 N CYS A 40 3.286 13.372 1.099 1.00 0.00 N ATOM 580 CA CYS A 40 3.250 12.612 -0.145 1.00 0.00 C ATOM 581 C CYS A 40 4.327 13.098 -1.110 1.00 0.00 C ATOM 582 O CYS A 40 4.878 12.319 -1.888 1.00 0.00 O ATOM 583 CB CYS A 40 1.873 12.727 -0.799 1.00 0.00 C ATOM 584 SG CYS A 40 1.860 12.346 -2.566 1.00 0.00 S ATOM 0 H CYS A 40 2.581 14.106 1.165 1.00 0.00 H new ATOM 0 HA CYS A 40 3.444 11.566 0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.183 12.055 -0.288 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.497 13.740 -0.654 1.00 0.00 H new ATOM 0 HG CYS A 40 3.063 12.042 -2.953 1.00 0.00 H new ATOM 590 N LYS A 41 4.621 14.393 -1.056 1.00 0.00 N ATOM 591 CA LYS A 41 5.631 14.985 -1.925 1.00 0.00 C ATOM 592 C LYS A 41 7.013 14.420 -1.617 1.00 0.00 C ATOM 593 O LYS A 41 7.759 14.051 -2.524 1.00 0.00 O ATOM 594 CB LYS A 41 5.643 16.507 -1.764 1.00 0.00 C ATOM 595 CG LYS A 41 4.258 17.130 -1.772 1.00 0.00 C ATOM 596 CD LYS A 41 4.325 18.638 -1.949 1.00 0.00 C ATOM 597 CE LYS A 41 5.043 19.304 -0.785 1.00 0.00 C ATOM 598 NZ LYS A 41 5.272 20.755 -1.031 1.00 0.00 N ATOM 0 H LYS A 41 4.174 15.053 -0.419 1.00 0.00 H new ATOM 0 HA LYS A 41 5.378 14.737 -2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.141 16.761 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.234 16.945 -2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.667 16.694 -2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.747 16.895 -0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.842 18.874 -2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.316 19.041 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.455 19.178 0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.999 18.809 -0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.763 21.172 -0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.854 20.875 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.358 21.233 -1.166 1.00 0.00 H new ATOM 612 N GLN A 42 7.348 14.355 -0.332 1.00 0.00 N ATOM 613 CA GLN A 42 8.641 13.833 0.095 1.00 0.00 C ATOM 614 C GLN A 42 8.734 12.333 -0.161 1.00 0.00 C ATOM 615 O GLN A 42 9.824 11.792 -0.356 1.00 0.00 O ATOM 616 CB GLN A 42 8.867 14.124 1.579 1.00 0.00 C ATOM 617 CG GLN A 42 8.369 13.021 2.498 1.00 0.00 C ATOM 618 CD GLN A 42 8.607 13.330 3.963 1.00 0.00 C ATOM 619 OE1 GLN A 42 8.461 14.471 4.401 1.00 0.00 O ATOM 620 NE2 GLN A 42 8.977 12.311 4.731 1.00 0.00 N ATOM 0 H GLN A 42 6.742 14.657 0.431 1.00 0.00 H new ATOM 0 HA GLN A 42 9.416 14.331 -0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.932 14.277 1.753 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.365 15.056 1.838 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.303 12.868 2.331 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.869 12.087 2.242 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.086 11.381 4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.152 12.459 5.725 1.00 0.00 H new ATOM 629 N LEU A 43 7.586 11.665 -0.160 1.00 0.00 N ATOM 630 CA LEU A 43 7.537 10.225 -0.391 1.00 0.00 C ATOM 631 C LEU A 43 7.444 9.917 -1.882 1.00 0.00 C ATOM 632 O LEU A 43 7.897 8.867 -2.338 1.00 0.00 O ATOM 633 CB LEU A 43 6.345 9.610 0.344 1.00 0.00 C ATOM 634 CG LEU A 43 6.126 8.112 0.131 1.00 0.00 C ATOM 635 CD1 LEU A 43 7.096 7.304 0.978 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.688 7.732 0.455 1.00 0.00 C ATOM 0 H LEU A 43 6.676 12.097 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 43 8.458 9.788 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.470 9.790 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.442 10.137 0.035 1.00 0.00 H new ATOM 0 HG LEU A 43 6.314 7.883 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.925 6.240 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.119 7.554 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.941 7.537 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.550 6.662 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.473 7.977 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.010 8.285 -0.196 1.00 0.00 H new ATOM 648 N GLU A 44 6.856 10.840 -2.637 1.00 0.00 N ATOM 649 CA GLU A 44 6.705 10.666 -4.077 1.00 0.00 C ATOM 650 C GLU A 44 7.886 9.893 -4.658 1.00 0.00 C ATOM 651 O GLU A 44 7.728 8.837 -5.270 1.00 0.00 O ATOM 652 CB GLU A 44 6.582 12.026 -4.767 1.00 0.00 C ATOM 653 CG GLU A 44 5.145 12.483 -4.958 1.00 0.00 C ATOM 654 CD GLU A 44 4.982 13.415 -6.143 1.00 0.00 C ATOM 655 OE1 GLU A 44 5.121 12.943 -7.291 1.00 0.00 O ATOM 656 OE2 GLU A 44 4.717 14.615 -5.923 1.00 0.00 O ATOM 0 H GLU A 44 6.477 11.715 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 44 5.795 10.093 -4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.117 12.772 -4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.071 11.976 -5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.506 11.611 -5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.805 12.988 -4.054 1.00 0.00 H new ATOM 663 N PRO A 45 9.098 10.433 -4.464 1.00 0.00 N ATOM 664 CA PRO A 45 10.330 9.812 -4.960 1.00 0.00 C ATOM 665 C PRO A 45 10.674 8.528 -4.214 1.00 0.00 C ATOM 666 O PRO A 45 11.155 7.563 -4.808 1.00 0.00 O ATOM 667 CB PRO A 45 11.395 10.881 -4.704 1.00 0.00 C ATOM 668 CG PRO A 45 10.855 11.690 -3.575 1.00 0.00 C ATOM 669 CD PRO A 45 9.361 11.690 -3.744 1.00 0.00 C ATOM 0 HA PRO A 45 10.245 9.518 -6.006 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.354 10.431 -4.446 1.00 0.00 H new ATOM 0 HB3 PRO A 45 11.560 11.496 -5.589 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.139 11.259 -2.615 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.250 12.705 -3.598 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.848 11.717 -2.783 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.021 12.556 -4.311 1.00 0.00 H new ATOM 677 N ILE A 46 10.423 8.522 -2.909 1.00 0.00 N ATOM 678 CA ILE A 46 10.705 7.355 -2.082 1.00 0.00 C ATOM 679 C ILE A 46 9.935 6.134 -2.574 1.00 0.00 C ATOM 680 O ILE A 46 10.449 5.016 -2.558 1.00 0.00 O ATOM 681 CB ILE A 46 10.349 7.612 -0.606 1.00 0.00 C ATOM 682 CG1 ILE A 46 11.171 8.780 -0.056 1.00 0.00 C ATOM 683 CG2 ILE A 46 10.583 6.357 0.222 1.00 0.00 C ATOM 684 CD1 ILE A 46 10.623 9.350 1.233 1.00 0.00 C ATOM 0 H ILE A 46 10.025 9.312 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 46 11.775 7.163 -2.161 1.00 0.00 H new ATOM 0 HB ILE A 46 9.293 7.874 -0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.195 8.446 0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.211 9.570 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.327 6.555 1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.958 5.549 -0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.632 6.067 0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.255 10.174 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.609 9.715 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.609 8.573 1.997 1.00 0.00 H new ATOM 696 N TYR A 47 8.701 6.357 -3.012 1.00 0.00 N ATOM 697 CA TYR A 47 7.859 5.275 -3.508 1.00 0.00 C ATOM 698 C TYR A 47 8.282 4.857 -4.913 1.00 0.00 C ATOM 699 O TYR A 47 8.111 3.703 -5.309 1.00 0.00 O ATOM 700 CB TYR A 47 6.391 5.703 -3.512 1.00 0.00 C ATOM 701 CG TYR A 47 5.423 4.547 -3.406 1.00 0.00 C ATOM 702 CD1 TYR A 47 5.334 3.793 -2.243 1.00 0.00 C ATOM 703 CD2 TYR A 47 4.595 4.209 -4.470 1.00 0.00 C ATOM 704 CE1 TYR A 47 4.451 2.735 -2.143 1.00 0.00 C ATOM 705 CE2 TYR A 47 3.708 3.154 -4.379 1.00 0.00 C ATOM 706 CZ TYR A 47 3.640 2.420 -3.213 1.00 0.00 C ATOM 707 OH TYR A 47 2.759 1.368 -3.117 1.00 0.00 O ATOM 0 H TYR A 47 8.262 7.277 -3.034 1.00 0.00 H new ATOM 0 HA TYR A 47 7.979 4.421 -2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.219 6.388 -2.681 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.185 6.256 -4.429 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.966 4.038 -1.402 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.646 4.782 -5.384 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.396 2.158 -1.232 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.072 2.905 -5.215 1.00 0.00 H new ATOM 0 HH TYR A 47 2.262 1.280 -3.957 1.00 0.00 H new ATOM 717 N THR A 48 8.836 5.804 -5.664 1.00 0.00 N ATOM 718 CA THR A 48 9.284 5.536 -7.025 1.00 0.00 C ATOM 719 C THR A 48 10.274 4.377 -7.060 1.00 0.00 C ATOM 720 O THR A 48 10.015 3.346 -7.681 1.00 0.00 O ATOM 721 CB THR A 48 9.942 6.778 -7.654 1.00 0.00 C ATOM 722 OG1 THR A 48 8.938 7.729 -8.027 1.00 0.00 O ATOM 723 CG2 THR A 48 10.763 6.395 -8.876 1.00 0.00 C ATOM 0 H THR A 48 8.985 6.764 -5.352 1.00 0.00 H new ATOM 0 HA THR A 48 8.399 5.271 -7.603 1.00 0.00 H new ATOM 0 HB THR A 48 10.607 7.223 -6.914 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.538 8.116 -7.220 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.218 7.289 -9.303 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.545 5.694 -8.584 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.115 5.928 -9.618 1.00 0.00 H new ATOM 731 N SER A 49 11.408 4.553 -6.390 1.00 0.00 N ATOM 732 CA SER A 49 12.438 3.522 -6.347 1.00 0.00 C ATOM 733 C SER A 49 11.873 2.211 -5.811 1.00 0.00 C ATOM 734 O SER A 49 12.253 1.128 -6.258 1.00 0.00 O ATOM 735 CB SER A 49 13.611 3.979 -5.477 1.00 0.00 C ATOM 736 OG SER A 49 14.830 3.416 -5.928 1.00 0.00 O ATOM 0 H SER A 49 11.637 5.400 -5.869 1.00 0.00 H new ATOM 0 HA SER A 49 12.793 3.355 -7.364 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.680 5.067 -5.496 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.434 3.689 -4.441 1.00 0.00 H new ATOM 0 HG SER A 49 15.564 3.725 -5.357 1.00 0.00 H new ATOM 742 N LEU A 50 10.963 2.316 -4.849 1.00 0.00 N ATOM 743 CA LEU A 50 10.344 1.139 -4.249 1.00 0.00 C ATOM 744 C LEU A 50 9.596 0.323 -5.299 1.00 0.00 C ATOM 745 O LEU A 50 9.433 -0.888 -5.159 1.00 0.00 O ATOM 746 CB LEU A 50 9.386 1.555 -3.132 1.00 0.00 C ATOM 747 CG LEU A 50 8.784 0.418 -2.305 1.00 0.00 C ATOM 748 CD1 LEU A 50 9.794 -0.096 -1.291 1.00 0.00 C ATOM 749 CD2 LEU A 50 7.514 0.881 -1.607 1.00 0.00 C ATOM 0 H LEU A 50 10.637 3.204 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 50 11.135 0.518 -3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.917 2.227 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.570 2.127 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 50 8.527 -0.399 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.349 -0.905 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.677 -0.467 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.082 0.714 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.099 0.059 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.746 1.715 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.785 1.201 -2.352 1.00 0.00 H new ATOM 761 N GLY A 51 9.143 0.997 -6.352 1.00 0.00 N ATOM 762 CA GLY A 51 8.419 0.318 -7.411 1.00 0.00 C ATOM 763 C GLY A 51 9.337 -0.207 -8.497 1.00 0.00 C ATOM 764 O GLY A 51 9.137 -1.306 -9.013 1.00 0.00 O ATOM 0 H GLY A 51 9.264 2.000 -6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.853 -0.511 -6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.696 1.005 -7.851 1.00 0.00 H new ATOM 768 N LYS A 52 10.348 0.582 -8.848 1.00 0.00 N ATOM 769 CA LYS A 52 11.301 0.192 -9.880 1.00 0.00 C ATOM 770 C LYS A 52 12.277 -0.854 -9.352 1.00 0.00 C ATOM 771 O LYS A 52 12.809 -1.663 -10.112 1.00 0.00 O ATOM 772 CB LYS A 52 12.070 1.417 -10.381 1.00 0.00 C ATOM 773 CG LYS A 52 13.293 1.751 -9.545 1.00 0.00 C ATOM 774 CD LYS A 52 13.781 3.165 -9.810 1.00 0.00 C ATOM 775 CE LYS A 52 14.377 3.297 -11.204 1.00 0.00 C ATOM 776 NZ LYS A 52 15.377 4.397 -11.277 1.00 0.00 N ATOM 0 H LYS A 52 10.528 1.496 -8.432 1.00 0.00 H new ATOM 0 HA LYS A 52 10.743 -0.244 -10.709 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.381 1.244 -11.411 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.401 2.277 -10.390 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.053 1.640 -8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.091 1.042 -9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.952 3.864 -9.700 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.529 3.438 -9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.850 2.357 -11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.580 3.482 -11.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.760 4.455 -12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.920 5.298 -11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.151 4.208 -10.608 1.00 0.00 H new ATOM 790 N LYS A 53 12.509 -0.833 -8.043 1.00 0.00 N ATOM 791 CA LYS A 53 13.419 -1.781 -7.412 1.00 0.00 C ATOM 792 C LYS A 53 12.762 -3.149 -7.261 1.00 0.00 C ATOM 793 O LYS A 53 13.406 -4.182 -7.444 1.00 0.00 O ATOM 794 CB LYS A 53 13.860 -1.261 -6.041 1.00 0.00 C ATOM 795 CG LYS A 53 12.853 -1.531 -4.936 1.00 0.00 C ATOM 796 CD LYS A 53 13.465 -1.319 -3.561 1.00 0.00 C ATOM 797 CE LYS A 53 14.359 -0.090 -3.532 1.00 0.00 C ATOM 798 NZ LYS A 53 15.050 0.063 -2.222 1.00 0.00 N ATOM 0 H LYS A 53 12.079 -0.169 -7.399 1.00 0.00 H new ATOM 0 HA LYS A 53 14.294 -1.887 -8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.811 -1.723 -5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.034 -0.187 -6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.992 -0.873 -5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.486 -2.554 -5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.672 -1.211 -2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.045 -2.198 -3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.101 -0.162 -4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.761 0.799 -3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.688 0.883 -2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.344 0.208 -1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.601 -0.795 -2.018 1.00 0.00 H new ATOM 812 N TYR A 54 11.476 -3.148 -6.928 1.00 0.00 N ATOM 813 CA TYR A 54 10.732 -4.390 -6.752 1.00 0.00 C ATOM 814 C TYR A 54 10.064 -4.814 -8.056 1.00 0.00 C ATOM 815 O TYR A 54 9.394 -5.845 -8.118 1.00 0.00 O ATOM 816 CB TYR A 54 9.677 -4.225 -5.656 1.00 0.00 C ATOM 817 CG TYR A 54 10.232 -4.364 -4.256 1.00 0.00 C ATOM 818 CD1 TYR A 54 10.726 -3.262 -3.571 1.00 0.00 C ATOM 819 CD2 TYR A 54 10.260 -5.599 -3.619 1.00 0.00 C ATOM 820 CE1 TYR A 54 11.234 -3.384 -2.292 1.00 0.00 C ATOM 821 CE2 TYR A 54 10.765 -5.730 -2.340 1.00 0.00 C ATOM 822 CZ TYR A 54 11.251 -4.620 -1.681 1.00 0.00 C ATOM 823 OH TYR A 54 11.755 -4.746 -0.407 1.00 0.00 O ATOM 0 H TYR A 54 10.927 -2.302 -6.775 1.00 0.00 H new ATOM 0 HA TYR A 54 11.436 -5.167 -6.456 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.210 -3.245 -5.757 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.893 -4.968 -5.803 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.713 -2.292 -4.046 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.881 -6.470 -4.132 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.615 -2.517 -1.774 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.779 -6.697 -1.858 1.00 0.00 H new ATOM 0 HH TYR A 54 11.999 -5.681 -0.243 1.00 0.00 H new ATOM 833 N LYS A 55 10.253 -4.012 -9.098 1.00 0.00 N ATOM 834 CA LYS A 55 9.672 -4.303 -10.404 1.00 0.00 C ATOM 835 C LYS A 55 10.189 -5.632 -10.945 1.00 0.00 C ATOM 836 O LYS A 55 9.563 -6.247 -11.808 1.00 0.00 O ATOM 837 CB LYS A 55 9.995 -3.178 -11.390 1.00 0.00 C ATOM 838 CG LYS A 55 11.363 -3.311 -12.038 1.00 0.00 C ATOM 839 CD LYS A 55 11.291 -4.094 -13.338 1.00 0.00 C ATOM 840 CE LYS A 55 10.793 -3.226 -14.484 1.00 0.00 C ATOM 841 NZ LYS A 55 11.913 -2.545 -15.191 1.00 0.00 N ATOM 0 H LYS A 55 10.804 -3.155 -9.064 1.00 0.00 H new ATOM 0 HA LYS A 55 8.591 -4.375 -10.286 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.233 -3.160 -12.169 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.941 -2.222 -10.868 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.773 -2.320 -12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.046 -3.809 -11.350 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.277 -4.489 -13.581 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.627 -4.949 -13.213 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.238 -3.842 -15.192 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.099 -2.479 -14.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.533 -1.963 -15.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.428 -1.937 -14.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.562 -3.258 -15.581 1.00 0.00 H new ATOM 855 N GLY A 56 11.334 -6.070 -10.431 1.00 0.00 N ATOM 856 CA GLY A 56 11.914 -7.325 -10.874 1.00 0.00 C ATOM 857 C GLY A 56 11.667 -8.456 -9.896 1.00 0.00 C ATOM 858 O GLY A 56 12.485 -9.367 -9.773 1.00 0.00 O ATOM 0 H GLY A 56 11.870 -5.579 -9.716 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.497 -7.591 -11.845 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.988 -7.197 -11.012 1.00 0.00 H new ATOM 862 N GLN A 57 10.538 -8.395 -9.197 1.00 0.00 N ATOM 863 CA GLN A 57 10.188 -9.422 -8.222 1.00 0.00 C ATOM 864 C GLN A 57 9.196 -10.418 -8.812 1.00 0.00 C ATOM 865 O GLN A 57 8.679 -10.218 -9.912 1.00 0.00 O ATOM 866 CB GLN A 57 9.599 -8.781 -6.964 1.00 0.00 C ATOM 867 CG GLN A 57 9.970 -9.506 -5.681 1.00 0.00 C ATOM 868 CD GLN A 57 8.949 -10.555 -5.287 1.00 0.00 C ATOM 869 OE1 GLN A 57 7.803 -10.109 -4.787 1.00 0.00 O flip ATOM 870 NE2 GLN A 57 9.188 -11.755 -5.432 1.00 0.00 N flip ATOM 0 H GLN A 57 9.851 -7.647 -9.287 1.00 0.00 H new ATOM 0 HA GLN A 57 11.098 -9.959 -7.955 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.940 -7.748 -6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.513 -8.753 -7.055 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.943 -9.981 -5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.070 -8.780 -4.874 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.083 -12.054 -5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.491 -12.450 -5.164 1.00 0.00 H new ATOM 879 N LYS A 58 8.933 -11.491 -8.075 1.00 0.00 N ATOM 880 CA LYS A 58 8.002 -12.519 -8.524 1.00 0.00 C ATOM 881 C LYS A 58 6.581 -12.204 -8.067 1.00 0.00 C ATOM 882 O LYS A 58 6.299 -12.163 -6.870 1.00 0.00 O ATOM 883 CB LYS A 58 8.427 -13.890 -7.992 1.00 0.00 C ATOM 884 CG LYS A 58 9.550 -14.530 -8.790 1.00 0.00 C ATOM 885 CD LYS A 58 9.019 -15.258 -10.014 1.00 0.00 C ATOM 886 CE LYS A 58 10.111 -15.477 -11.050 1.00 0.00 C ATOM 887 NZ LYS A 58 9.762 -16.567 -12.002 1.00 0.00 N ATOM 0 H LYS A 58 9.352 -11.672 -7.163 1.00 0.00 H new ATOM 0 HA LYS A 58 8.019 -12.537 -9.614 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.744 -13.786 -6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.564 -14.556 -7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.260 -13.763 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.095 -15.230 -8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.602 -16.220 -9.714 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.206 -14.682 -10.457 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.278 -14.552 -11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.046 -15.721 -10.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.531 -16.685 -12.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.627 -17.455 -11.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.883 -16.323 -12.502 1.00 0.00 H new ATOM 901 N ASP A 59 5.691 -11.982 -9.028 1.00 0.00 N ATOM 902 CA ASP A 59 4.299 -11.673 -8.724 1.00 0.00 C ATOM 903 C ASP A 59 4.201 -10.478 -7.781 1.00 0.00 C ATOM 904 O ASP A 59 3.579 -10.559 -6.721 1.00 0.00 O ATOM 905 CB ASP A 59 3.608 -12.887 -8.102 1.00 0.00 C ATOM 906 CG ASP A 59 4.295 -14.190 -8.461 1.00 0.00 C ATOM 907 OD1 ASP A 59 5.232 -14.586 -7.737 1.00 0.00 O ATOM 908 OD2 ASP A 59 3.895 -14.814 -9.466 1.00 0.00 O ATOM 0 H ASP A 59 5.909 -12.010 -10.024 1.00 0.00 H new ATOM 0 HA ASP A 59 3.797 -11.419 -9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.590 -12.776 -7.018 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.571 -12.922 -8.436 1.00 0.00 H new ATOM 913 N LEU A 60 4.820 -9.369 -8.172 1.00 0.00 N ATOM 914 CA LEU A 60 4.804 -8.157 -7.361 1.00 0.00 C ATOM 915 C LEU A 60 4.765 -6.913 -8.243 1.00 0.00 C ATOM 916 O LEU A 60 5.638 -6.708 -9.086 1.00 0.00 O ATOM 917 CB LEU A 60 6.033 -8.112 -6.451 1.00 0.00 C ATOM 918 CG LEU A 60 5.908 -7.246 -5.197 1.00 0.00 C ATOM 919 CD1 LEU A 60 5.093 -7.963 -4.132 1.00 0.00 C ATOM 920 CD2 LEU A 60 7.285 -6.882 -4.662 1.00 0.00 C ATOM 0 H LEU A 60 5.339 -9.284 -9.046 1.00 0.00 H new ATOM 0 HA LEU A 60 3.904 -8.173 -6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.270 -9.130 -6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.880 -7.751 -7.035 1.00 0.00 H new ATOM 0 HG LEU A 60 5.388 -6.326 -5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.015 -7.331 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.095 -8.173 -4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.584 -8.899 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.177 -6.266 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.830 -7.792 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.836 -6.327 -5.422 1.00 0.00 H new ATOM 932 N VAL A 61 3.746 -6.082 -8.041 1.00 0.00 N ATOM 933 CA VAL A 61 3.595 -4.856 -8.814 1.00 0.00 C ATOM 934 C VAL A 61 3.138 -3.701 -7.930 1.00 0.00 C ATOM 935 O VAL A 61 1.973 -3.631 -7.536 1.00 0.00 O ATOM 936 CB VAL A 61 2.585 -5.039 -9.963 1.00 0.00 C ATOM 937 CG1 VAL A 61 2.403 -3.736 -10.726 1.00 0.00 C ATOM 938 CG2 VAL A 61 3.036 -6.153 -10.896 1.00 0.00 C ATOM 0 H VAL A 61 3.013 -6.237 -7.348 1.00 0.00 H new ATOM 0 HA VAL A 61 4.574 -4.623 -9.233 1.00 0.00 H new ATOM 0 HB VAL A 61 1.622 -5.320 -9.536 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.686 -3.884 -11.534 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.032 -2.967 -10.049 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.360 -3.422 -11.143 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.311 -6.269 -11.702 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.010 -5.903 -11.317 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.111 -7.087 -10.338 1.00 0.00 H new ATOM 948 N ILE A 62 4.062 -2.798 -7.623 1.00 0.00 N ATOM 949 CA ILE A 62 3.753 -1.644 -6.786 1.00 0.00 C ATOM 950 C ILE A 62 2.968 -0.595 -7.565 1.00 0.00 C ATOM 951 O ILE A 62 3.502 0.056 -8.462 1.00 0.00 O ATOM 952 CB ILE A 62 5.033 -0.999 -6.223 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.654 -1.896 -5.150 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.726 0.379 -5.657 1.00 0.00 C ATOM 955 CD1 ILE A 62 6.842 -1.271 -4.453 1.00 0.00 C ATOM 0 H ILE A 62 5.030 -2.842 -7.941 1.00 0.00 H new ATOM 0 HA ILE A 62 3.145 -2.008 -5.958 1.00 0.00 H new ATOM 0 HB ILE A 62 5.752 -0.885 -7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.894 -2.140 -4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.965 -2.835 -5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.640 0.822 -5.263 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.325 1.015 -6.446 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.992 0.288 -4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.231 -1.963 -3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.620 -1.053 -5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.533 -0.346 -3.965 1.00 0.00 H new ATOM 967 N ALA A 63 1.696 -0.435 -7.214 1.00 0.00 N ATOM 968 CA ALA A 63 0.837 0.539 -7.877 1.00 0.00 C ATOM 969 C ALA A 63 0.302 1.565 -6.884 1.00 0.00 C ATOM 970 O ALA A 63 0.402 1.381 -5.671 1.00 0.00 O ATOM 971 CB ALA A 63 -0.312 -0.165 -8.583 1.00 0.00 C ATOM 0 H ALA A 63 1.238 -0.967 -6.474 1.00 0.00 H new ATOM 0 HA ALA A 63 1.435 1.068 -8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.945 0.574 -9.074 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.086 -0.854 -9.328 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.901 -0.721 -7.854 1.00 0.00 H new ATOM 977 N LYS A 64 -0.267 2.646 -7.406 1.00 0.00 N ATOM 978 CA LYS A 64 -0.820 3.702 -6.566 1.00 0.00 C ATOM 979 C LYS A 64 -2.168 4.174 -7.103 1.00 0.00 C ATOM 980 O LYS A 64 -2.552 3.840 -8.223 1.00 0.00 O ATOM 981 CB LYS A 64 0.152 4.881 -6.489 1.00 0.00 C ATOM 982 CG LYS A 64 0.476 5.493 -7.841 1.00 0.00 C ATOM 983 CD LYS A 64 1.579 6.532 -7.733 1.00 0.00 C ATOM 984 CE LYS A 64 2.034 7.006 -9.105 1.00 0.00 C ATOM 985 NZ LYS A 64 0.993 7.830 -9.780 1.00 0.00 N ATOM 0 H LYS A 64 -0.357 2.814 -8.408 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.969 3.296 -5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.274 5.650 -5.844 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.078 4.548 -6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.781 4.708 -8.533 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.420 5.954 -8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.223 7.383 -7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.427 6.110 -7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.949 7.589 -9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.274 6.143 -9.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.901 7.529 -10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.082 7.705 -9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.268 8.832 -9.747 1.00 0.00 H new ATOM 999 N MET A 65 -2.880 4.954 -6.296 1.00 0.00 N ATOM 1000 CA MET A 65 -4.184 5.474 -6.692 1.00 0.00 C ATOM 1001 C MET A 65 -4.532 6.729 -5.897 1.00 0.00 C ATOM 1002 O MET A 65 -4.076 6.906 -4.767 1.00 0.00 O ATOM 1003 CB MET A 65 -5.264 4.411 -6.488 1.00 0.00 C ATOM 1004 CG MET A 65 -6.677 4.930 -6.702 1.00 0.00 C ATOM 1005 SD MET A 65 -7.828 3.632 -7.190 1.00 0.00 S ATOM 1006 CE MET A 65 -9.147 3.886 -6.004 1.00 0.00 C ATOM 0 H MET A 65 -2.577 5.240 -5.365 1.00 0.00 H new ATOM 0 HA MET A 65 -4.138 5.736 -7.749 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.082 3.584 -7.174 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.182 4.011 -5.477 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.031 5.397 -5.783 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.663 5.705 -7.469 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.110 3.775 -6.502 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.064 3.150 -5.205 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.070 4.889 -5.583 1.00 0.00 H new ATOM 1016 N ASP A 66 -5.342 7.596 -6.495 1.00 0.00 N ATOM 1017 CA ASP A 66 -5.752 8.834 -5.842 1.00 0.00 C ATOM 1018 C ASP A 66 -7.086 8.654 -5.124 1.00 0.00 C ATOM 1019 O ASP A 66 -8.144 8.963 -5.672 1.00 0.00 O ATOM 1020 CB ASP A 66 -5.859 9.964 -6.867 1.00 0.00 C ATOM 1021 CG ASP A 66 -4.630 10.064 -7.749 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -4.204 9.023 -8.291 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -4.094 11.182 -7.897 1.00 0.00 O ATOM 0 H ASP A 66 -5.727 7.464 -7.430 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.995 9.094 -5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.738 9.803 -7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.007 10.910 -6.346 1.00 0.00 H new ATOM 1028 N ALA A 67 -7.028 8.150 -3.896 1.00 0.00 N ATOM 1029 CA ALA A 67 -8.231 7.930 -3.103 1.00 0.00 C ATOM 1030 C ALA A 67 -9.071 9.200 -3.014 1.00 0.00 C ATOM 1031 O ALA A 67 -10.276 9.144 -2.766 1.00 0.00 O ATOM 1032 CB ALA A 67 -7.863 7.440 -1.710 1.00 0.00 C ATOM 0 H ALA A 67 -6.161 7.886 -3.429 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.828 7.165 -3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.771 7.280 -1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.312 6.503 -1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.242 8.186 -1.214 1.00 0.00 H new ATOM 1038 N THR A 68 -8.427 10.345 -3.219 1.00 0.00 N ATOM 1039 CA THR A 68 -9.114 11.629 -3.160 1.00 0.00 C ATOM 1040 C THR A 68 -10.089 11.784 -4.322 1.00 0.00 C ATOM 1041 O THR A 68 -11.133 12.423 -4.188 1.00 0.00 O ATOM 1042 CB THR A 68 -8.116 12.802 -3.183 1.00 0.00 C ATOM 1043 OG1 THR A 68 -7.481 12.880 -4.464 1.00 0.00 O ATOM 1044 CG2 THR A 68 -7.062 12.636 -2.098 1.00 0.00 C ATOM 0 H THR A 68 -7.431 10.409 -3.427 1.00 0.00 H new ATOM 0 HA THR A 68 -9.666 11.649 -2.220 1.00 0.00 H new ATOM 0 HB THR A 68 -8.667 13.723 -2.995 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.849 13.629 -4.471 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.368 13.476 -2.133 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.546 12.606 -1.122 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.516 11.707 -2.261 1.00 0.00 H new ATOM 1052 N ALA A 69 -9.743 11.195 -5.462 1.00 0.00 N ATOM 1053 CA ALA A 69 -10.590 11.266 -6.646 1.00 0.00 C ATOM 1054 C ALA A 69 -11.396 9.984 -6.822 1.00 0.00 C ATOM 1055 O ALA A 69 -12.598 10.026 -7.081 1.00 0.00 O ATOM 1056 CB ALA A 69 -9.746 11.534 -7.883 1.00 0.00 C ATOM 0 H ALA A 69 -8.882 10.663 -5.590 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.291 12.090 -6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.391 11.585 -8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.219 12.481 -7.766 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.022 10.729 -8.011 1.00 0.00 H new ATOM 1062 N ASN A 70 -10.727 8.845 -6.680 1.00 0.00 N ATOM 1063 CA ASN A 70 -11.382 7.549 -6.824 1.00 0.00 C ATOM 1064 C ASN A 70 -11.928 7.064 -5.485 1.00 0.00 C ATOM 1065 O ASN A 70 -11.208 7.022 -4.487 1.00 0.00 O ATOM 1066 CB ASN A 70 -10.403 6.520 -7.392 1.00 0.00 C ATOM 1067 CG ASN A 70 -10.026 6.812 -8.832 1.00 0.00 C ATOM 1068 OD1 ASN A 70 -10.767 6.483 -9.758 1.00 0.00 O ATOM 1069 ND2 ASN A 70 -8.869 7.435 -9.026 1.00 0.00 N ATOM 0 H ASN A 70 -9.731 8.792 -6.465 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.217 7.666 -7.515 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.501 6.504 -6.780 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.848 5.527 -7.330 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.563 7.659 -9.973 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.286 7.689 -8.228 1.00 0.00 H new ATOM 1076 N ASP A 71 -13.205 6.697 -5.471 1.00 0.00 N ATOM 1077 CA ASP A 71 -13.848 6.212 -4.256 1.00 0.00 C ATOM 1078 C ASP A 71 -13.639 4.710 -4.092 1.00 0.00 C ATOM 1079 O ASP A 71 -14.186 3.911 -4.853 1.00 0.00 O ATOM 1080 CB ASP A 71 -15.344 6.532 -4.283 1.00 0.00 C ATOM 1081 CG ASP A 71 -15.619 7.987 -4.608 1.00 0.00 C ATOM 1082 OD1 ASP A 71 -15.018 8.865 -3.955 1.00 0.00 O ATOM 1083 OD2 ASP A 71 -16.437 8.247 -5.515 1.00 0.00 O ATOM 0 H ASP A 71 -13.815 6.726 -6.288 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.391 6.718 -3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.835 5.899 -5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.782 6.290 -3.315 1.00 0.00 H new ATOM 1088 N ILE A 72 -12.844 4.334 -3.096 1.00 0.00 N ATOM 1089 CA ILE A 72 -12.563 2.928 -2.834 1.00 0.00 C ATOM 1090 C ILE A 72 -13.847 2.154 -2.552 1.00 0.00 C ATOM 1091 O ILE A 72 -14.488 2.347 -1.519 1.00 0.00 O ATOM 1092 CB ILE A 72 -11.603 2.759 -1.641 1.00 0.00 C ATOM 1093 CG1 ILE A 72 -10.335 3.587 -1.858 1.00 0.00 C ATOM 1094 CG2 ILE A 72 -11.256 1.291 -1.445 1.00 0.00 C ATOM 1095 CD1 ILE A 72 -9.538 3.814 -0.592 1.00 0.00 C ATOM 0 H ILE A 72 -12.383 4.983 -2.458 1.00 0.00 H new ATOM 0 HA ILE A 72 -12.090 2.528 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 72 -12.100 3.119 -0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.703 3.084 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.609 4.552 -2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.577 1.187 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -12.167 0.725 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.775 0.908 -2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.653 4.408 -0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.153 4.344 0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.233 2.853 -0.177 1.00 0.00 H new ATOM 1107 N THR A 73 -14.216 1.275 -3.478 1.00 0.00 N ATOM 1108 CA THR A 73 -15.423 0.470 -3.330 1.00 0.00 C ATOM 1109 C THR A 73 -15.283 -0.524 -2.183 1.00 0.00 C ATOM 1110 O THR A 73 -16.232 -0.763 -1.438 1.00 0.00 O ATOM 1111 CB THR A 73 -15.747 -0.299 -4.624 1.00 0.00 C ATOM 1112 OG1 THR A 73 -14.619 -1.085 -5.024 1.00 0.00 O ATOM 1113 CG2 THR A 73 -16.126 0.660 -5.743 1.00 0.00 C ATOM 0 H THR A 73 -13.697 1.102 -4.339 1.00 0.00 H new ATOM 0 HA THR A 73 -16.239 1.160 -3.112 1.00 0.00 H new ATOM 0 HB THR A 73 -16.594 -0.956 -4.427 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.835 -1.572 -5.847 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.351 0.094 -6.647 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.004 1.235 -5.448 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.296 1.339 -5.937 1.00 0.00 H new ATOM 1121 N ASN A 74 -14.093 -1.100 -2.047 1.00 0.00 N ATOM 1122 CA ASN A 74 -13.830 -2.069 -0.989 1.00 0.00 C ATOM 1123 C ASN A 74 -14.356 -1.567 0.352 1.00 0.00 C ATOM 1124 O ASN A 74 -14.808 -0.427 0.466 1.00 0.00 O ATOM 1125 CB ASN A 74 -12.329 -2.350 -0.888 1.00 0.00 C ATOM 1126 CG ASN A 74 -11.839 -3.271 -1.989 1.00 0.00 C ATOM 1127 OD1 ASN A 74 -11.830 -2.903 -3.163 1.00 0.00 O ATOM 1128 ND2 ASN A 74 -11.428 -4.476 -1.612 1.00 0.00 N ATOM 0 H ASN A 74 -13.296 -0.913 -2.656 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.350 -2.993 -1.240 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.782 -1.409 -0.935 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.110 -2.798 0.081 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.087 -5.139 -2.308 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.453 -4.738 -0.627 1.00 0.00 H new ATOM 1135 N ASP A 75 -14.293 -2.424 1.365 1.00 0.00 N ATOM 1136 CA ASP A 75 -14.761 -2.067 2.699 1.00 0.00 C ATOM 1137 C ASP A 75 -13.613 -2.099 3.704 1.00 0.00 C ATOM 1138 O ASP A 75 -13.611 -1.351 4.681 1.00 0.00 O ATOM 1139 CB ASP A 75 -15.871 -3.020 3.145 1.00 0.00 C ATOM 1140 CG ASP A 75 -17.246 -2.549 2.713 1.00 0.00 C ATOM 1141 OD1 ASP A 75 -17.451 -1.320 2.624 1.00 0.00 O ATOM 1142 OD2 ASP A 75 -18.117 -3.409 2.464 1.00 0.00 O ATOM 0 H ASP A 75 -13.922 -3.371 1.288 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.158 -1.052 2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -15.683 -4.011 2.732 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -15.848 -3.118 4.230 1.00 0.00 H new ATOM 1147 N GLN A 76 -12.640 -2.970 3.456 1.00 0.00 N ATOM 1148 CA GLN A 76 -11.488 -3.099 4.340 1.00 0.00 C ATOM 1149 C GLN A 76 -10.487 -1.974 4.099 1.00 0.00 C ATOM 1150 O GLN A 76 -9.806 -1.527 5.023 1.00 0.00 O ATOM 1151 CB GLN A 76 -10.809 -4.454 4.133 1.00 0.00 C ATOM 1152 CG GLN A 76 -11.759 -5.635 4.252 1.00 0.00 C ATOM 1153 CD GLN A 76 -12.414 -5.992 2.932 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -13.639 -6.057 2.832 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -11.598 -6.227 1.911 1.00 0.00 N ATOM 0 H GLN A 76 -12.627 -3.596 2.651 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.842 -3.031 5.369 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.343 -4.471 3.148 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.010 -4.566 4.865 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.212 -6.500 4.628 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.531 -5.403 4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.588 -6.162 2.040 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.981 -6.473 0.998 1.00 0.00 H new ATOM 1164 N TYR A 77 -10.403 -1.520 2.854 1.00 0.00 N ATOM 1165 CA TYR A 77 -9.484 -0.449 2.491 1.00 0.00 C ATOM 1166 C TYR A 77 -10.075 0.916 2.834 1.00 0.00 C ATOM 1167 O TYR A 77 -10.876 1.467 2.079 1.00 0.00 O ATOM 1168 CB TYR A 77 -9.155 -0.514 0.998 1.00 0.00 C ATOM 1169 CG TYR A 77 -8.308 -1.707 0.616 1.00 0.00 C ATOM 1170 CD1 TYR A 77 -8.817 -2.997 0.690 1.00 0.00 C ATOM 1171 CD2 TYR A 77 -6.999 -1.542 0.181 1.00 0.00 C ATOM 1172 CE1 TYR A 77 -8.046 -4.090 0.342 1.00 0.00 C ATOM 1173 CE2 TYR A 77 -6.221 -2.629 -0.170 1.00 0.00 C ATOM 1174 CZ TYR A 77 -6.749 -3.901 -0.087 1.00 0.00 C ATOM 1175 OH TYR A 77 -5.979 -4.986 -0.435 1.00 0.00 O ATOM 0 H TYR A 77 -10.961 -1.878 2.079 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.567 -0.582 3.064 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.085 -0.543 0.430 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.634 0.399 0.709 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.832 -3.149 1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.582 -0.548 0.116 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.457 -5.087 0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.205 -2.484 -0.507 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.501 -5.808 -0.320 1.00 0.00 H new ATOM 1185 N LYS A 78 -9.672 1.456 3.979 1.00 0.00 N ATOM 1186 CA LYS A 78 -10.158 2.757 4.424 1.00 0.00 C ATOM 1187 C LYS A 78 -9.012 3.758 4.530 1.00 0.00 C ATOM 1188 O LYS A 78 -8.089 3.578 5.324 1.00 0.00 O ATOM 1189 CB LYS A 78 -10.862 2.626 5.776 1.00 0.00 C ATOM 1190 CG LYS A 78 -12.353 2.358 5.662 1.00 0.00 C ATOM 1191 CD LYS A 78 -12.939 1.895 6.985 1.00 0.00 C ATOM 1192 CE LYS A 78 -13.028 3.037 7.985 1.00 0.00 C ATOM 1193 NZ LYS A 78 -13.848 2.672 9.173 1.00 0.00 N ATOM 0 H LYS A 78 -9.010 1.013 4.616 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.870 3.124 3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.398 1.817 6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.709 3.542 6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.862 3.264 5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.530 1.600 4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.932 1.478 6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.323 1.096 7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.025 3.316 8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.461 3.912 7.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.884 3.477 9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.813 2.430 8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.421 1.853 9.651 1.00 0.00 H new ATOM 1207 N VAL A 79 -9.079 4.815 3.727 1.00 0.00 N ATOM 1208 CA VAL A 79 -8.048 5.847 3.733 1.00 0.00 C ATOM 1209 C VAL A 79 -8.371 6.940 4.746 1.00 0.00 C ATOM 1210 O VAL A 79 -9.022 7.931 4.418 1.00 0.00 O ATOM 1211 CB VAL A 79 -7.885 6.485 2.341 1.00 0.00 C ATOM 1212 CG1 VAL A 79 -6.826 7.576 2.375 1.00 0.00 C ATOM 1213 CG2 VAL A 79 -7.536 5.424 1.307 1.00 0.00 C ATOM 0 H VAL A 79 -9.836 4.980 3.064 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.114 5.360 4.013 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.833 6.941 2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.724 8.016 1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.122 8.348 3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.872 7.147 2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.424 5.892 0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.601 4.938 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.332 4.681 1.265 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.910 6.751 5.979 1.00 0.00 N ATOM 1224 CA GLU A 80 -8.150 7.722 7.040 1.00 0.00 C ATOM 1225 C GLU A 80 -7.301 8.973 6.835 1.00 0.00 C ATOM 1226 O GLU A 80 -7.695 10.073 7.219 1.00 0.00 O ATOM 1227 CB GLU A 80 -7.846 7.103 8.406 1.00 0.00 C ATOM 1228 CG GLU A 80 -8.881 6.086 8.858 1.00 0.00 C ATOM 1229 CD GLU A 80 -10.067 6.730 9.550 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -10.506 7.807 9.097 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -10.556 6.154 10.544 1.00 0.00 O ATOM 0 H GLU A 80 -7.369 5.936 6.267 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.201 8.008 7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.869 6.622 8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.781 7.898 9.149 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.232 5.521 7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.412 5.373 9.536 1.00 0.00 H new ATOM 1238 N GLY A 81 -6.132 8.795 6.228 1.00 0.00 N ATOM 1239 CA GLY A 81 -5.244 9.917 5.983 1.00 0.00 C ATOM 1240 C GLY A 81 -4.299 9.667 4.825 1.00 0.00 C ATOM 1241 O GLY A 81 -4.586 8.854 3.945 1.00 0.00 O ATOM 0 H GLY A 81 -5.784 7.894 5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.838 10.808 5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.664 10.121 6.883 1.00 0.00 H new ATOM 1245 N PHE A 82 -3.170 10.367 4.822 1.00 0.00 N ATOM 1246 CA PHE A 82 -2.181 10.219 3.761 1.00 0.00 C ATOM 1247 C PHE A 82 -0.780 10.535 4.276 1.00 0.00 C ATOM 1248 O PHE A 82 -0.583 11.411 5.119 1.00 0.00 O ATOM 1249 CB PHE A 82 -2.523 11.136 2.585 1.00 0.00 C ATOM 1250 CG PHE A 82 -3.910 10.930 2.048 1.00 0.00 C ATOM 1251 CD1 PHE A 82 -5.000 11.528 2.659 1.00 0.00 C ATOM 1252 CD2 PHE A 82 -4.124 10.137 0.931 1.00 0.00 C ATOM 1253 CE1 PHE A 82 -6.278 11.340 2.167 1.00 0.00 C ATOM 1254 CE2 PHE A 82 -5.400 9.947 0.434 1.00 0.00 C ATOM 1255 CZ PHE A 82 -6.478 10.548 1.054 1.00 0.00 C ATOM 0 H PHE A 82 -2.917 11.043 5.543 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.200 9.183 3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.415 12.174 2.900 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.803 10.970 1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.849 12.148 3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.285 9.663 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.119 11.812 2.653 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.554 9.329 -0.438 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.476 10.399 0.669 1.00 0.00 H new ATOM 1265 N PRO A 83 0.219 9.804 3.759 1.00 0.00 N ATOM 1266 CA PRO A 83 -0.003 8.759 2.755 1.00 0.00 C ATOM 1267 C PRO A 83 -0.723 7.545 3.333 1.00 0.00 C ATOM 1268 O PRO A 83 -1.050 7.510 4.520 1.00 0.00 O ATOM 1269 CB PRO A 83 1.414 8.381 2.317 1.00 0.00 C ATOM 1270 CG PRO A 83 2.277 8.736 3.479 1.00 0.00 C ATOM 1271 CD PRO A 83 1.641 9.942 4.113 1.00 0.00 C ATOM 0 HA PRO A 83 -0.638 9.105 1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.485 7.319 2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.711 8.928 1.422 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.338 7.909 4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.295 8.955 3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.787 9.952 5.193 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.063 10.869 3.726 1.00 0.00 H new ATOM 1279 N THR A 84 -0.967 6.549 2.486 1.00 0.00 N ATOM 1280 CA THR A 84 -1.649 5.334 2.912 1.00 0.00 C ATOM 1281 C THR A 84 -1.297 4.159 2.007 1.00 0.00 C ATOM 1282 O THR A 84 -1.758 4.082 0.867 1.00 0.00 O ATOM 1283 CB THR A 84 -3.178 5.521 2.920 1.00 0.00 C ATOM 1284 OG1 THR A 84 -3.529 6.654 3.721 1.00 0.00 O ATOM 1285 CG2 THR A 84 -3.873 4.279 3.458 1.00 0.00 C ATOM 0 H THR A 84 -0.702 6.561 1.501 1.00 0.00 H new ATOM 0 HA THR A 84 -1.311 5.122 3.926 1.00 0.00 H new ATOM 0 HB THR A 84 -3.506 5.686 1.894 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.854 7.376 3.143 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.952 4.435 3.454 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.628 3.423 2.829 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.538 4.087 4.477 1.00 0.00 H new ATOM 1293 N ILE A 85 -0.478 3.247 2.520 1.00 0.00 N ATOM 1294 CA ILE A 85 -0.066 2.076 1.757 1.00 0.00 C ATOM 1295 C ILE A 85 -0.818 0.830 2.213 1.00 0.00 C ATOM 1296 O ILE A 85 -1.076 0.649 3.403 1.00 0.00 O ATOM 1297 CB ILE A 85 1.448 1.824 1.886 1.00 0.00 C ATOM 1298 CG1 ILE A 85 2.231 3.078 1.493 1.00 0.00 C ATOM 1299 CG2 ILE A 85 1.863 0.642 1.023 1.00 0.00 C ATOM 1300 CD1 ILE A 85 3.573 3.193 2.181 1.00 0.00 C ATOM 0 H ILE A 85 -0.087 3.297 3.461 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.305 2.280 0.713 1.00 0.00 H new ATOM 0 HB ILE A 85 1.675 1.588 2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.384 3.078 0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.634 3.958 1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.936 0.476 1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.326 -0.250 1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.625 0.852 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.072 4.105 1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.427 3.226 3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.189 2.331 1.924 1.00 0.00 H new ATOM 1312 N TYR A 86 -1.165 -0.027 1.260 1.00 0.00 N ATOM 1313 CA TYR A 86 -1.888 -1.256 1.563 1.00 0.00 C ATOM 1314 C TYR A 86 -1.371 -2.415 0.717 1.00 0.00 C ATOM 1315 O TYR A 86 -1.201 -2.287 -0.496 1.00 0.00 O ATOM 1316 CB TYR A 86 -3.387 -1.064 1.323 1.00 0.00 C ATOM 1317 CG TYR A 86 -4.136 -0.567 2.539 1.00 0.00 C ATOM 1318 CD1 TYR A 86 -4.465 -1.431 3.577 1.00 0.00 C ATOM 1319 CD2 TYR A 86 -4.516 0.764 2.650 1.00 0.00 C ATOM 1320 CE1 TYR A 86 -5.150 -0.982 4.689 1.00 0.00 C ATOM 1321 CE2 TYR A 86 -5.200 1.222 3.759 1.00 0.00 C ATOM 1322 CZ TYR A 86 -5.515 0.345 4.776 1.00 0.00 C ATOM 1323 OH TYR A 86 -6.197 0.797 5.883 1.00 0.00 O ATOM 0 H TYR A 86 -0.957 0.107 0.270 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.723 -1.494 2.614 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.528 -0.357 0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.819 -2.012 1.003 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.180 -2.471 3.513 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.272 1.453 1.855 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.399 -1.667 5.486 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.487 2.261 3.830 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.377 1.756 5.787 1.00 0.00 H new ATOM 1333 N PHE A 87 -1.123 -3.548 1.366 1.00 0.00 N ATOM 1334 CA PHE A 87 -0.625 -4.732 0.675 1.00 0.00 C ATOM 1335 C PHE A 87 -1.750 -5.734 0.431 1.00 0.00 C ATOM 1336 O PHE A 87 -2.335 -6.267 1.373 1.00 0.00 O ATOM 1337 CB PHE A 87 0.492 -5.390 1.487 1.00 0.00 C ATOM 1338 CG PHE A 87 1.240 -6.450 0.729 1.00 0.00 C ATOM 1339 CD1 PHE A 87 0.735 -7.737 0.632 1.00 0.00 C ATOM 1340 CD2 PHE A 87 2.446 -6.159 0.113 1.00 0.00 C ATOM 1341 CE1 PHE A 87 1.420 -8.715 -0.065 1.00 0.00 C ATOM 1342 CE2 PHE A 87 3.136 -7.133 -0.585 1.00 0.00 C ATOM 1343 CZ PHE A 87 2.623 -8.412 -0.673 1.00 0.00 C ATOM 0 H PHE A 87 -1.259 -3.671 2.369 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.227 -4.418 -0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.195 -4.623 1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.064 -5.832 2.387 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.205 -7.979 1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.852 -5.160 0.179 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.015 -9.714 -0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.075 -6.894 -1.061 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.161 -9.174 -1.216 1.00 0.00 H new ATOM 1353 N ALA A 88 -2.047 -5.984 -0.840 1.00 0.00 N ATOM 1354 CA ALA A 88 -3.100 -6.922 -1.208 1.00 0.00 C ATOM 1355 C ALA A 88 -2.514 -8.249 -1.676 1.00 0.00 C ATOM 1356 O ALA A 88 -2.155 -8.420 -2.842 1.00 0.00 O ATOM 1357 CB ALA A 88 -3.986 -6.322 -2.291 1.00 0.00 C ATOM 0 H ALA A 88 -1.573 -5.550 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.707 -7.115 -0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.768 -7.033 -2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.441 -5.403 -1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.384 -6.100 -3.172 1.00 0.00 H new ATOM 1363 N PRO A 89 -2.412 -9.212 -0.749 1.00 0.00 N ATOM 1364 CA PRO A 89 -1.870 -10.542 -1.044 1.00 0.00 C ATOM 1365 C PRO A 89 -2.796 -11.362 -1.935 1.00 0.00 C ATOM 1366 O PRO A 89 -3.945 -11.623 -1.578 1.00 0.00 O ATOM 1367 CB PRO A 89 -1.746 -11.189 0.338 1.00 0.00 C ATOM 1368 CG PRO A 89 -2.759 -10.489 1.177 1.00 0.00 C ATOM 1369 CD PRO A 89 -2.821 -9.078 0.660 1.00 0.00 C ATOM 0 HA PRO A 89 -0.928 -10.486 -1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.942 -12.260 0.292 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.742 -11.065 0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.732 -10.975 1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.474 -10.507 2.229 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.824 -8.661 0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.151 -8.418 1.212 1.00 0.00 H new ATOM 1377 N SER A 90 -2.290 -11.765 -3.095 1.00 0.00 N ATOM 1378 CA SER A 90 -3.074 -12.553 -4.039 1.00 0.00 C ATOM 1379 C SER A 90 -3.698 -13.763 -3.350 1.00 0.00 C ATOM 1380 O SER A 90 -3.018 -14.749 -3.066 1.00 0.00 O ATOM 1381 CB SER A 90 -2.196 -13.013 -5.205 1.00 0.00 C ATOM 1382 OG SER A 90 -1.223 -13.947 -4.774 1.00 0.00 O ATOM 0 H SER A 90 -1.340 -11.559 -3.404 1.00 0.00 H new ATOM 0 HA SER A 90 -3.875 -11.922 -4.423 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.819 -13.463 -5.978 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.703 -12.151 -5.655 1.00 0.00 H new ATOM 0 HG SER A 90 -1.568 -14.447 -4.005 1.00 0.00 H new ATOM 1388 N GLY A 91 -4.998 -13.680 -3.084 1.00 0.00 N ATOM 1389 CA GLY A 91 -5.693 -14.774 -2.430 1.00 0.00 C ATOM 1390 C GLY A 91 -6.343 -14.351 -1.128 1.00 0.00 C ATOM 1391 O GLY A 91 -7.528 -14.604 -0.908 1.00 0.00 O ATOM 0 H GLY A 91 -5.582 -12.875 -3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.455 -15.169 -3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.989 -15.583 -2.235 1.00 0.00 H new ATOM 1395 N ASP A 92 -5.568 -13.708 -0.263 1.00 0.00 N ATOM 1396 CA ASP A 92 -6.076 -13.250 1.025 1.00 0.00 C ATOM 1397 C ASP A 92 -6.305 -11.742 1.014 1.00 0.00 C ATOM 1398 O ASP A 92 -6.148 -11.071 2.035 1.00 0.00 O ATOM 1399 CB ASP A 92 -5.100 -13.621 2.144 1.00 0.00 C ATOM 1400 CG ASP A 92 -5.646 -13.296 3.520 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -6.885 -13.294 3.682 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -4.835 -13.043 4.435 1.00 0.00 O ATOM 0 H ASP A 92 -4.585 -13.492 -0.430 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.031 -13.744 1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.875 -14.686 2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.161 -13.089 1.994 1.00 0.00 H new ATOM 1407 N LYS A 93 -6.676 -11.214 -0.147 1.00 0.00 N ATOM 1408 CA LYS A 93 -6.928 -9.785 -0.293 1.00 0.00 C ATOM 1409 C LYS A 93 -8.011 -9.321 0.675 1.00 0.00 C ATOM 1410 O LYS A 93 -7.918 -8.240 1.257 1.00 0.00 O ATOM 1411 CB LYS A 93 -7.343 -9.463 -1.731 1.00 0.00 C ATOM 1412 CG LYS A 93 -6.468 -10.128 -2.780 1.00 0.00 C ATOM 1413 CD LYS A 93 -6.422 -9.317 -4.063 1.00 0.00 C ATOM 1414 CE LYS A 93 -5.306 -9.790 -4.982 1.00 0.00 C ATOM 1415 NZ LYS A 93 -3.960 -9.498 -4.416 1.00 0.00 N ATOM 0 H LYS A 93 -6.809 -11.755 -1.002 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.005 -9.254 -0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.376 -9.776 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.312 -8.383 -1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.458 -10.249 -2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.849 -11.127 -2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.378 -9.397 -4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.276 -8.264 -3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.404 -10.862 -5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.405 -9.305 -5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.255 -10.121 -4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.712 -8.506 -4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.972 -9.663 -3.389 1.00 0.00 H new ATOM 1429 N LYS A 94 -9.038 -10.147 0.846 1.00 0.00 N ATOM 1430 CA LYS A 94 -10.139 -9.823 1.746 1.00 0.00 C ATOM 1431 C LYS A 94 -9.635 -9.068 2.972 1.00 0.00 C ATOM 1432 O LYS A 94 -10.308 -8.171 3.479 1.00 0.00 O ATOM 1433 CB LYS A 94 -10.860 -11.101 2.182 1.00 0.00 C ATOM 1434 CG LYS A 94 -12.160 -10.842 2.923 1.00 0.00 C ATOM 1435 CD LYS A 94 -13.309 -10.589 1.961 1.00 0.00 C ATOM 1436 CE LYS A 94 -14.656 -10.703 2.659 1.00 0.00 C ATOM 1437 NZ LYS A 94 -15.781 -10.772 1.686 1.00 0.00 N ATOM 0 H LYS A 94 -9.131 -11.046 0.373 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.839 -9.183 1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.068 -11.709 1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.196 -11.683 2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.396 -11.697 3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.039 -9.982 3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.207 -9.595 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.262 -11.304 1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.665 -11.593 3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.797 -9.846 3.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -16.681 -10.849 2.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.789 -9.911 1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.660 -11.604 1.074 1.00 0.00 H new ATOM 1451 N ASN A 95 -8.447 -9.435 3.441 1.00 0.00 N ATOM 1452 CA ASN A 95 -7.853 -8.791 4.606 1.00 0.00 C ATOM 1453 C ASN A 95 -6.622 -7.981 4.212 1.00 0.00 C ATOM 1454 O ASN A 95 -5.517 -8.508 4.079 1.00 0.00 O ATOM 1455 CB ASN A 95 -7.474 -9.837 5.656 1.00 0.00 C ATOM 1456 CG ASN A 95 -8.609 -10.799 5.950 1.00 0.00 C ATOM 1457 OD1 ASN A 95 -9.748 -10.385 6.164 1.00 0.00 O ATOM 1458 ND2 ASN A 95 -8.302 -12.091 5.962 1.00 0.00 N ATOM 0 H ASN A 95 -7.877 -10.175 3.032 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.593 -8.112 5.030 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.606 -10.398 5.309 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.180 -9.333 6.577 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.024 -12.785 6.154 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.344 -12.389 5.779 1.00 0.00 H new ATOM 1465 N PRO A 96 -6.815 -6.667 4.020 1.00 0.00 N ATOM 1466 CA PRO A 96 -5.731 -5.756 3.639 1.00 0.00 C ATOM 1467 C PRO A 96 -4.728 -5.543 4.768 1.00 0.00 C ATOM 1468 O PRO A 96 -5.057 -5.714 5.942 1.00 0.00 O ATOM 1469 CB PRO A 96 -6.463 -4.449 3.321 1.00 0.00 C ATOM 1470 CG PRO A 96 -7.722 -4.517 4.114 1.00 0.00 C ATOM 1471 CD PRO A 96 -8.104 -5.970 4.161 1.00 0.00 C ATOM 0 HA PRO A 96 -5.144 -6.146 2.808 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.865 -3.582 3.602 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.671 -4.361 2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.573 -4.120 5.118 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.508 -3.922 3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.598 -6.225 5.098 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.792 -6.231 3.357 1.00 0.00 H new ATOM 1479 N ILE A 97 -3.506 -5.170 4.405 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.457 -4.933 5.388 1.00 0.00 C ATOM 1481 C ILE A 97 -1.864 -3.536 5.234 1.00 0.00 C ATOM 1482 O ILE A 97 -1.144 -3.257 4.275 1.00 0.00 O ATOM 1483 CB ILE A 97 -1.327 -5.973 5.267 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -1.911 -7.386 5.201 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -0.364 -5.847 6.438 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -1.068 -8.350 4.396 1.00 0.00 C ATOM 0 H ILE A 97 -3.218 -5.025 3.437 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.920 -5.023 6.371 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.775 -5.784 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.023 -7.772 6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.909 -7.338 4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.429 -6.588 6.338 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.072 -4.848 6.445 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.902 -6.014 7.371 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.542 -9.332 4.392 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.977 -7.987 3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.077 -8.427 4.843 1.00 0.00 H new ATOM 1498 N LYS A 98 -2.171 -2.661 6.186 1.00 0.00 N ATOM 1499 CA LYS A 98 -1.667 -1.293 6.159 1.00 0.00 C ATOM 1500 C LYS A 98 -0.291 -1.207 6.812 1.00 0.00 C ATOM 1501 O LYS A 98 -0.037 -1.843 7.835 1.00 0.00 O ATOM 1502 CB LYS A 98 -2.642 -0.355 6.875 1.00 0.00 C ATOM 1503 CG LYS A 98 -2.117 1.061 7.034 1.00 0.00 C ATOM 1504 CD LYS A 98 -3.247 2.077 7.044 1.00 0.00 C ATOM 1505 CE LYS A 98 -2.716 3.502 7.042 1.00 0.00 C ATOM 1506 NZ LYS A 98 -3.756 4.482 7.461 1.00 0.00 N ATOM 0 H LYS A 98 -2.767 -2.875 6.986 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.575 -0.986 5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.579 -0.326 6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.868 -0.763 7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.549 1.138 7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.429 1.289 6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.883 1.924 6.172 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.870 1.921 7.925 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.860 3.572 7.713 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.360 3.755 6.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.355 5.441 7.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.562 4.434 6.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.078 4.256 8.424 1.00 0.00 H new ATOM 1520 N PHE A 99 0.594 -0.416 6.214 1.00 0.00 N ATOM 1521 CA PHE A 99 1.944 -0.247 6.738 1.00 0.00 C ATOM 1522 C PHE A 99 1.978 0.832 7.816 1.00 0.00 C ATOM 1523 O PHE A 99 1.937 2.024 7.517 1.00 0.00 O ATOM 1524 CB PHE A 99 2.911 0.115 5.608 1.00 0.00 C ATOM 1525 CG PHE A 99 4.294 0.450 6.086 1.00 0.00 C ATOM 1526 CD1 PHE A 99 5.025 -0.464 6.828 1.00 0.00 C ATOM 1527 CD2 PHE A 99 4.863 1.680 5.796 1.00 0.00 C ATOM 1528 CE1 PHE A 99 6.299 -0.159 7.269 1.00 0.00 C ATOM 1529 CE2 PHE A 99 6.137 1.990 6.235 1.00 0.00 C ATOM 1530 CZ PHE A 99 6.855 1.070 6.973 1.00 0.00 C ATOM 0 H PHE A 99 0.400 0.118 5.367 1.00 0.00 H new ATOM 0 HA PHE A 99 2.254 -1.192 7.184 1.00 0.00 H new ATOM 0 HB2 PHE A 99 2.969 -0.720 4.909 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.510 0.965 5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.594 -1.426 7.064 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.305 2.404 5.221 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.859 -0.881 7.845 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.570 2.951 6.001 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.850 1.311 7.318 1.00 0.00 H new ATOM 1540 N GLU A 100 2.053 0.402 9.072 1.00 0.00 N ATOM 1541 CA GLU A 100 2.090 1.331 10.196 1.00 0.00 C ATOM 1542 C GLU A 100 3.495 1.414 10.786 1.00 0.00 C ATOM 1543 O GLU A 100 3.669 1.414 12.004 1.00 0.00 O ATOM 1544 CB GLU A 100 1.096 0.900 11.276 1.00 0.00 C ATOM 1545 CG GLU A 100 -0.348 1.236 10.942 1.00 0.00 C ATOM 1546 CD GLU A 100 -1.325 0.689 11.965 1.00 0.00 C ATOM 1547 OE1 GLU A 100 -1.168 -0.483 12.367 1.00 0.00 O ATOM 1548 OE2 GLU A 100 -2.246 1.432 12.363 1.00 0.00 O ATOM 0 H GLU A 100 2.089 -0.582 9.337 1.00 0.00 H new ATOM 0 HA GLU A 100 1.810 2.318 9.828 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.184 -0.175 11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.364 1.380 12.217 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.460 2.318 10.880 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.593 0.833 9.959 1.00 0.00 H new ATOM 1583 N ARG A 104 8.212 6.215 7.287 1.00 0.00 N ATOM 1584 CA ARG A 104 7.787 5.885 5.932 1.00 0.00 C ATOM 1585 C ARG A 104 8.868 6.252 4.919 1.00 0.00 C ATOM 1586 O ARG A 104 8.794 7.293 4.267 1.00 0.00 O ATOM 1587 CB ARG A 104 6.485 6.612 5.590 1.00 0.00 C ATOM 1588 CG ARG A 104 5.236 5.824 5.949 1.00 0.00 C ATOM 1589 CD ARG A 104 4.042 6.264 5.115 1.00 0.00 C ATOM 1590 NE ARG A 104 2.776 5.835 5.704 1.00 0.00 N ATOM 1591 CZ ARG A 104 2.200 6.445 6.733 1.00 0.00 C ATOM 1592 NH1 ARG A 104 2.773 7.506 7.285 1.00 0.00 N ATOM 1593 NH2 ARG A 104 1.047 5.995 7.212 1.00 0.00 N ATOM 0 HA ARG A 104 7.617 4.809 5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.464 7.568 6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.471 6.832 4.523 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.418 4.761 5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.011 5.958 7.007 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.048 7.350 5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.131 5.854 4.109 1.00 0.00 H new ATOM 0 HE ARG A 104 2.309 5.022 5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.659 7.856 6.919 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.328 7.973 8.075 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.603 5.180 6.790 1.00 0.00 H new ATOM 0 HH22 ARG A 104 0.605 6.464 8.003 1.00 0.00 H new ATOM 1607 N ASP A 105 9.871 5.390 4.793 1.00 0.00 N ATOM 1608 CA ASP A 105 10.967 5.623 3.860 1.00 0.00 C ATOM 1609 C ASP A 105 11.210 4.393 2.989 1.00 0.00 C ATOM 1610 O ASP A 105 10.463 3.416 3.055 1.00 0.00 O ATOM 1611 CB ASP A 105 12.244 5.985 4.619 1.00 0.00 C ATOM 1612 CG ASP A 105 13.214 6.784 3.772 1.00 0.00 C ATOM 1613 OD1 ASP A 105 12.763 7.711 3.068 1.00 0.00 O ATOM 1614 OD2 ASP A 105 14.425 6.482 3.812 1.00 0.00 O ATOM 0 H ASP A 105 9.948 4.523 5.325 1.00 0.00 H new ATOM 0 HA ASP A 105 10.690 6.456 3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.984 6.559 5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.731 5.072 4.961 1.00 0.00 H new ATOM 1619 N LEU A 106 12.258 4.449 2.175 1.00 0.00 N ATOM 1620 CA LEU A 106 12.599 3.341 1.290 1.00 0.00 C ATOM 1621 C LEU A 106 13.275 2.214 2.065 1.00 0.00 C ATOM 1622 O LEU A 106 13.386 1.091 1.574 1.00 0.00 O ATOM 1623 CB LEU A 106 13.517 3.824 0.166 1.00 0.00 C ATOM 1624 CG LEU A 106 13.757 2.836 -0.976 1.00 0.00 C ATOM 1625 CD1 LEU A 106 12.467 2.580 -1.741 1.00 0.00 C ATOM 1626 CD2 LEU A 106 14.840 3.354 -1.911 1.00 0.00 C ATOM 0 H LEU A 106 12.886 5.250 2.109 1.00 0.00 H new ATOM 0 HA LEU A 106 11.676 2.957 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.095 4.737 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.481 4.088 0.600 1.00 0.00 H new ATOM 0 HG LEU A 106 14.095 1.892 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.658 1.875 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.720 2.164 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.098 3.518 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.997 2.638 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.531 4.311 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 106 15.769 3.484 -1.355 1.00 0.00 H new ATOM 1638 N GLU A 107 13.723 2.523 3.278 1.00 0.00 N ATOM 1639 CA GLU A 107 14.386 1.535 4.121 1.00 0.00 C ATOM 1640 C GLU A 107 13.372 0.780 4.975 1.00 0.00 C ATOM 1641 O GLU A 107 13.529 -0.414 5.236 1.00 0.00 O ATOM 1642 CB GLU A 107 15.423 2.212 5.019 1.00 0.00 C ATOM 1643 CG GLU A 107 16.807 2.292 4.397 1.00 0.00 C ATOM 1644 CD GLU A 107 17.911 2.342 5.436 1.00 0.00 C ATOM 1645 OE1 GLU A 107 17.727 3.023 6.466 1.00 0.00 O ATOM 1646 OE2 GLU A 107 18.959 1.698 5.218 1.00 0.00 O ATOM 0 H GLU A 107 13.639 3.449 3.698 1.00 0.00 H new ATOM 0 HA GLU A 107 14.891 0.820 3.471 1.00 0.00 H new ATOM 0 HB2 GLU A 107 15.082 3.220 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 107 15.488 1.666 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.961 1.429 3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.867 3.178 3.766 1.00 0.00 H new ATOM 1653 N HIS A 108 12.332 1.484 5.410 1.00 0.00 N ATOM 1654 CA HIS A 108 11.292 0.881 6.236 1.00 0.00 C ATOM 1655 C HIS A 108 10.227 0.216 5.369 1.00 0.00 C ATOM 1656 O HIS A 108 9.696 -0.839 5.719 1.00 0.00 O ATOM 1657 CB HIS A 108 10.648 1.938 7.134 1.00 0.00 C ATOM 1658 CG HIS A 108 11.624 2.644 8.024 1.00 0.00 C ATOM 1659 ND1 HIS A 108 12.059 3.932 7.792 1.00 0.00 N ATOM 1660 CD2 HIS A 108 12.250 2.234 9.152 1.00 0.00 C ATOM 1661 CE1 HIS A 108 12.911 4.283 8.738 1.00 0.00 C ATOM 1662 NE2 HIS A 108 13.044 3.271 9.576 1.00 0.00 N ATOM 0 H HIS A 108 12.187 2.472 5.204 1.00 0.00 H new ATOM 0 HA HIS A 108 11.756 0.118 6.861 1.00 0.00 H new ATOM 0 HB2 HIS A 108 10.141 2.673 6.509 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.885 1.463 7.750 1.00 0.00 H new ATOM 0 HD2 HIS A 108 12.145 1.271 9.629 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.414 5.236 8.814 1.00 0.00 H new ATOM 0 HE2 HIS A 108 13.640 3.261 10.404 1.00 0.00 H new ATOM 1671 N LEU A 109 9.920 0.839 4.237 1.00 0.00 N ATOM 1672 CA LEU A 109 8.917 0.308 3.319 1.00 0.00 C ATOM 1673 C LEU A 109 9.339 -1.056 2.783 1.00 0.00 C ATOM 1674 O LEU A 109 8.576 -2.021 2.844 1.00 0.00 O ATOM 1675 CB LEU A 109 8.695 1.279 2.158 1.00 0.00 C ATOM 1676 CG LEU A 109 7.883 2.534 2.478 1.00 0.00 C ATOM 1677 CD1 LEU A 109 7.923 3.508 1.311 1.00 0.00 C ATOM 1678 CD2 LEU A 109 6.446 2.167 2.819 1.00 0.00 C ATOM 0 H LEU A 109 10.351 1.712 3.932 1.00 0.00 H new ATOM 0 HA LEU A 109 7.983 0.189 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.669 1.588 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.194 0.742 1.352 1.00 0.00 H new ATOM 0 HG LEU A 109 8.329 3.020 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.339 4.395 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.955 3.796 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.503 3.032 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.883 3.073 3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.990 1.657 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.435 1.508 3.687 1.00 0.00 H new ATOM 1690 N SER A 110 10.558 -1.130 2.259 1.00 0.00 N ATOM 1691 CA SER A 110 11.080 -2.376 1.711 1.00 0.00 C ATOM 1692 C SER A 110 11.097 -3.472 2.773 1.00 0.00 C ATOM 1693 O SER A 110 11.086 -4.661 2.455 1.00 0.00 O ATOM 1694 CB SER A 110 12.491 -2.163 1.159 1.00 0.00 C ATOM 1695 OG SER A 110 13.402 -1.845 2.197 1.00 0.00 O ATOM 0 H SER A 110 11.203 -0.342 2.202 1.00 0.00 H new ATOM 0 HA SER A 110 10.424 -2.691 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.823 -3.064 0.643 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.479 -1.360 0.422 1.00 0.00 H new ATOM 0 HG SER A 110 13.558 -0.878 2.210 1.00 0.00 H new ATOM 1701 N LYS A 111 11.125 -3.062 4.036 1.00 0.00 N ATOM 1702 CA LYS A 111 11.143 -4.006 5.147 1.00 0.00 C ATOM 1703 C LYS A 111 9.736 -4.507 5.458 1.00 0.00 C ATOM 1704 O LYS A 111 9.561 -5.498 6.167 1.00 0.00 O ATOM 1705 CB LYS A 111 11.748 -3.351 6.391 1.00 0.00 C ATOM 1706 CG LYS A 111 13.266 -3.406 6.429 1.00 0.00 C ATOM 1707 CD LYS A 111 13.816 -2.750 7.685 1.00 0.00 C ATOM 1708 CE LYS A 111 15.308 -2.482 7.565 1.00 0.00 C ATOM 1709 NZ LYS A 111 15.589 -1.238 6.796 1.00 0.00 N ATOM 0 H LYS A 111 11.136 -2.081 4.316 1.00 0.00 H new ATOM 0 HA LYS A 111 11.758 -4.858 4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.429 -2.310 6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.352 -3.843 7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.595 -4.444 6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.671 -2.907 5.549 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.290 -1.813 7.867 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.629 -3.393 8.545 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.743 -2.399 8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.791 -3.328 7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 16.228 -1.456 6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.698 -0.851 6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 16.037 -0.538 7.421 1.00 0.00 H new ATOM 1723 N PHE A 112 8.735 -3.817 4.921 1.00 0.00 N ATOM 1724 CA PHE A 112 7.343 -4.192 5.140 1.00 0.00 C ATOM 1725 C PHE A 112 6.827 -5.062 3.997 1.00 0.00 C ATOM 1726 O PHE A 112 5.825 -5.763 4.140 1.00 0.00 O ATOM 1727 CB PHE A 112 6.471 -2.943 5.279 1.00 0.00 C ATOM 1728 CG PHE A 112 5.009 -3.205 5.058 1.00 0.00 C ATOM 1729 CD1 PHE A 112 4.199 -3.614 6.105 1.00 0.00 C ATOM 1730 CD2 PHE A 112 4.444 -3.042 3.803 1.00 0.00 C ATOM 1731 CE1 PHE A 112 2.853 -3.855 5.905 1.00 0.00 C ATOM 1732 CE2 PHE A 112 3.099 -3.281 3.598 1.00 0.00 C ATOM 1733 CZ PHE A 112 2.302 -3.690 4.650 1.00 0.00 C ATOM 0 H PHE A 112 8.862 -2.995 4.331 1.00 0.00 H new ATOM 0 HA PHE A 112 7.290 -4.768 6.064 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.610 -2.522 6.275 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.809 -2.192 4.565 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.624 -3.746 7.089 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.062 -2.725 2.976 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.232 -4.172 6.730 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.670 -3.148 2.616 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.251 -3.880 4.491 1.00 0.00 H new ATOM 1743 N ILE A 113 7.519 -5.010 2.864 1.00 0.00 N ATOM 1744 CA ILE A 113 7.132 -5.792 1.697 1.00 0.00 C ATOM 1745 C ILE A 113 7.713 -7.201 1.762 1.00 0.00 C ATOM 1746 O ILE A 113 6.977 -8.188 1.757 1.00 0.00 O ATOM 1747 CB ILE A 113 7.592 -5.119 0.390 1.00 0.00 C ATOM 1748 CG1 ILE A 113 6.825 -3.815 0.165 1.00 0.00 C ATOM 1749 CG2 ILE A 113 7.400 -6.063 -0.788 1.00 0.00 C ATOM 1750 CD1 ILE A 113 7.466 -2.906 -0.860 1.00 0.00 C ATOM 0 H ILE A 113 8.350 -4.435 2.730 1.00 0.00 H new ATOM 0 HA ILE A 113 6.044 -5.850 1.703 1.00 0.00 H new ATOM 0 HB ILE A 113 8.653 -4.885 0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.810 -4.051 -0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.745 -3.282 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.730 -5.573 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.987 -6.968 -0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.346 -6.325 -0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.868 -2.001 -0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.471 -2.640 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.521 -3.421 -1.819 1.00 0.00 H new ATOM 1762 N ASP A 114 9.037 -7.286 1.825 1.00 0.00 N ATOM 1763 CA ASP A 114 9.718 -8.574 1.894 1.00 0.00 C ATOM 1764 C ASP A 114 8.996 -9.520 2.849 1.00 0.00 C ATOM 1765 O ASP A 114 8.958 -10.729 2.628 1.00 0.00 O ATOM 1766 CB ASP A 114 11.168 -8.385 2.343 1.00 0.00 C ATOM 1767 CG ASP A 114 12.102 -8.105 1.182 1.00 0.00 C ATOM 1768 OD1 ASP A 114 12.096 -8.892 0.212 1.00 0.00 O ATOM 1769 OD2 ASP A 114 12.838 -7.099 1.243 1.00 0.00 O ATOM 0 H ASP A 114 9.660 -6.479 1.830 1.00 0.00 H new ATOM 0 HA ASP A 114 9.709 -9.016 0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 114 11.220 -7.561 3.055 1.00 0.00 H new ATOM 0 HB3 ASP A 114 11.503 -9.280 2.867 1.00 0.00 H new ATOM 1774 N GLU A 115 8.426 -8.959 3.911 1.00 0.00 N ATOM 1775 CA GLU A 115 7.707 -9.753 4.900 1.00 0.00 C ATOM 1776 C GLU A 115 6.404 -10.296 4.319 1.00 0.00 C ATOM 1777 O GLU A 115 6.183 -11.507 4.284 1.00 0.00 O ATOM 1778 CB GLU A 115 7.413 -8.914 6.145 1.00 0.00 C ATOM 1779 CG GLU A 115 8.605 -8.767 7.075 1.00 0.00 C ATOM 1780 CD GLU A 115 8.223 -8.195 8.427 1.00 0.00 C ATOM 1781 OE1 GLU A 115 8.000 -6.969 8.510 1.00 0.00 O ATOM 1782 OE2 GLU A 115 8.148 -8.972 9.401 1.00 0.00 O ATOM 0 H GLU A 115 8.448 -7.958 4.108 1.00 0.00 H new ATOM 0 HA GLU A 115 8.339 -10.596 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.080 -7.923 5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.589 -9.370 6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.073 -9.741 7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.348 -8.121 6.608 1.00 0.00 H new ATOM 1789 N HIS A 116 5.543 -9.390 3.865 1.00 0.00 N ATOM 1790 CA HIS A 116 4.262 -9.777 3.286 1.00 0.00 C ATOM 1791 C HIS A 116 4.421 -10.155 1.816 1.00 0.00 C ATOM 1792 O HIS A 116 3.437 -10.299 1.092 1.00 0.00 O ATOM 1793 CB HIS A 116 3.251 -8.638 3.424 1.00 0.00 C ATOM 1794 CG HIS A 116 2.977 -8.250 4.845 1.00 0.00 C ATOM 1795 ND1 HIS A 116 2.585 -8.994 5.906 1.00 0.00 N flip ATOM 1796 CD2 HIS A 116 3.095 -6.957 5.308 1.00 0.00 C flip ATOM 1797 CE1 HIS A 116 2.477 -8.146 6.980 1.00 0.00 C flip ATOM 1798 NE2 HIS A 116 2.791 -6.922 6.593 1.00 0.00 N flip ATOM 0 H HIS A 116 5.709 -8.384 3.887 1.00 0.00 H new ATOM 0 HA HIS A 116 3.895 -10.648 3.829 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.621 -7.767 2.883 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.315 -8.934 2.950 1.00 0.00 H new ATOM 0 HD2 HIS A 116 3.390 -6.105 4.713 1.00 0.00 H new ATOM 0 HE1 HIS A 116 2.183 -8.433 7.979 1.00 0.00 H new ATOM 0 HE2 HIS A 116 2.797 -6.092 7.186 1.00 0.00 H new