USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 720 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 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 70 GLN : amide:sc= 0.192 K(o=0.19,f=-1.5!) USER MOD Single : A 12 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.111) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.2!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.273 F(o=-1.7!,f=-0.27) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 38:sc= 0.348 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0421 X(o=-0.042,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -3.36 K(o=-3.4,f=-4.4) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1.3) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0465 X(o=-0.047,f=-0.018) USER MOD Single : A 68 HIS : no HE2:sc= 0.103 K(o=0.1,f=-0.44) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.021) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 162:sc= 1.24 USER MOD Single : A 85 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0782) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0836 USER MOD Single : A 92 ASN : amide:sc= -1.16 X(o=-1.2,f=-0.81) USER MOD Single : A 100 ASN : amide:sc= -2.22 K(o=-2.2,f=-6.6!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -103:sc= -2.06! (180deg=-3.47!) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -20.955 2.870 7.452 1.00 0.00 N ATOM 119 CA VAL A 11 -20.242 2.573 6.215 1.00 0.00 C ATOM 120 C VAL A 11 -19.948 1.082 6.096 1.00 0.00 C ATOM 121 O VAL A 11 -19.921 0.361 7.093 1.00 0.00 O ATOM 122 CB VAL A 11 -18.917 3.355 6.129 1.00 0.00 C ATOM 123 CG1 VAL A 11 -19.098 4.771 6.652 1.00 0.00 C ATOM 124 CG2 VAL A 11 -17.821 2.630 6.895 1.00 0.00 C ATOM 0 HA VAL A 11 -20.890 2.880 5.394 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.618 3.416 5.083 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.152 5.308 6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.851 5.286 6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.421 4.736 7.693 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.892 3.196 6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.110 2.536 7.942 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.675 1.637 6.469 1.00 0.00 H new ATOM 134 N LYS A 12 -19.727 0.625 4.868 1.00 0.00 N ATOM 135 CA LYS A 12 -19.433 -0.781 4.615 1.00 0.00 C ATOM 136 C LYS A 12 -17.959 -1.082 4.867 1.00 0.00 C ATOM 137 O LYS A 12 -17.085 -0.298 4.499 1.00 0.00 O ATOM 138 CB LYS A 12 -19.802 -1.150 3.177 1.00 0.00 C ATOM 139 CG LYS A 12 -21.233 -1.632 3.020 1.00 0.00 C ATOM 140 CD LYS A 12 -21.719 -1.483 1.588 1.00 0.00 C ATOM 141 CE LYS A 12 -21.332 -2.684 0.739 1.00 0.00 C ATOM 142 NZ LYS A 12 -20.002 -2.502 0.094 1.00 0.00 N ATOM 0 H LYS A 12 -19.746 1.208 4.032 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.031 -1.381 5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.648 -0.281 2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.125 -1.929 2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.301 -2.677 3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.884 -1.066 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.803 -1.366 1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -21.297 -0.577 1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -21.314 -3.578 1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -22.089 -2.845 -0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.109 -2.545 -0.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.609 -1.577 0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.358 -3.256 0.408 1.00 0.00 H new ATOM 156 N GLU A 13 -17.691 -2.223 5.495 1.00 0.00 N ATOM 157 CA GLU A 13 -16.322 -2.626 5.794 1.00 0.00 C ATOM 158 C GLU A 13 -15.686 -3.322 4.595 1.00 0.00 C ATOM 159 O GLU A 13 -15.883 -4.519 4.380 1.00 0.00 O ATOM 160 CB GLU A 13 -16.295 -3.555 7.010 1.00 0.00 C ATOM 161 CG GLU A 13 -16.771 -2.893 8.292 1.00 0.00 C ATOM 162 CD GLU A 13 -16.908 -3.875 9.440 1.00 0.00 C ATOM 163 OE1 GLU A 13 -15.899 -4.118 10.134 1.00 0.00 O ATOM 164 OE2 GLU A 13 -18.022 -4.399 9.643 1.00 0.00 O ATOM 0 H GLU A 13 -18.403 -2.884 5.806 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.746 -1.728 6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.920 -4.425 6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.278 -3.920 7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.070 -2.107 8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.733 -2.413 8.113 1.00 0.00 H new ATOM 171 N LEU A 14 -14.922 -2.564 3.816 1.00 0.00 N ATOM 172 CA LEU A 14 -14.255 -3.107 2.636 1.00 0.00 C ATOM 173 C LEU A 14 -12.974 -3.838 3.023 1.00 0.00 C ATOM 174 O LEU A 14 -12.366 -3.546 4.054 1.00 0.00 O ATOM 175 CB LEU A 14 -13.937 -1.986 1.646 1.00 0.00 C ATOM 176 CG LEU A 14 -15.059 -0.980 1.386 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.487 0.350 0.919 1.00 0.00 C ATOM 178 CD2 LEU A 14 -16.041 -1.529 0.362 1.00 0.00 C ATOM 0 H LEU A 14 -14.749 -1.572 3.979 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.930 -3.821 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.066 -1.442 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.654 -2.438 0.695 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.595 -0.813 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.300 1.053 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.824 0.751 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.926 0.201 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.833 -0.800 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.518 -1.726 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.477 -2.456 0.736 1.00 0.00 H new ATOM 190 N THR A 15 -12.567 -4.790 2.189 1.00 0.00 N ATOM 191 CA THR A 15 -11.358 -5.563 2.443 1.00 0.00 C ATOM 192 C THR A 15 -10.198 -5.064 1.589 1.00 0.00 C ATOM 193 O THR A 15 -10.022 -5.495 0.449 1.00 0.00 O ATOM 194 CB THR A 15 -11.580 -7.061 2.162 1.00 0.00 C ATOM 195 OG1 THR A 15 -12.613 -7.571 3.012 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.298 -7.849 2.386 1.00 0.00 C ATOM 0 H THR A 15 -13.057 -5.044 1.331 1.00 0.00 H new ATOM 0 HA THR A 15 -11.113 -5.431 3.497 1.00 0.00 H new ATOM 0 HB THR A 15 -11.879 -7.172 1.120 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.749 -8.523 2.826 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.479 -8.904 2.182 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.521 -7.478 1.717 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.974 -7.730 3.420 1.00 0.00 H new ATOM 204 N VAL A 16 -9.407 -4.154 2.148 1.00 0.00 N ATOM 205 CA VAL A 16 -8.261 -3.598 1.438 1.00 0.00 C ATOM 206 C VAL A 16 -7.027 -4.476 1.613 1.00 0.00 C ATOM 207 O VAL A 16 -6.564 -4.698 2.731 1.00 0.00 O ATOM 208 CB VAL A 16 -7.937 -2.173 1.926 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.774 -1.591 1.137 1.00 0.00 C ATOM 210 CG2 VAL A 16 -9.164 -1.281 1.818 1.00 0.00 C ATOM 0 H VAL A 16 -9.539 -3.786 3.090 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.530 -3.561 0.382 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.645 -2.224 2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.559 -0.584 1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.893 -2.219 1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.035 -1.552 0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.917 -0.278 2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.489 -1.234 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.967 -1.691 2.431 1.00 0.00 H new ATOM 220 N SER A 17 -6.498 -4.972 0.499 1.00 0.00 N ATOM 221 CA SER A 17 -5.319 -5.829 0.528 1.00 0.00 C ATOM 222 C SER A 17 -4.320 -5.416 -0.548 1.00 0.00 C ATOM 223 O SER A 17 -4.693 -5.171 -1.695 1.00 0.00 O ATOM 224 CB SER A 17 -5.721 -7.292 0.332 1.00 0.00 C ATOM 225 OG SER A 17 -4.725 -8.167 0.835 1.00 0.00 O ATOM 0 H SER A 17 -6.868 -4.795 -0.435 1.00 0.00 H new ATOM 0 HA SER A 17 -4.843 -5.717 1.502 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.667 -7.483 0.839 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.881 -7.489 -0.728 1.00 0.00 H new ATOM 0 HG SER A 17 -5.007 -9.096 0.699 1.00 0.00 H new ATOM 231 N ALA A 18 -3.048 -5.341 -0.169 1.00 0.00 N ATOM 232 CA ALA A 18 -1.995 -4.960 -1.100 1.00 0.00 C ATOM 233 C ALA A 18 -1.541 -6.153 -1.934 1.00 0.00 C ATOM 234 O ALA A 18 -1.109 -5.997 -3.075 1.00 0.00 O ATOM 235 CB ALA A 18 -0.816 -4.360 -0.348 1.00 0.00 C ATOM 0 H ALA A 18 -2.723 -5.539 0.777 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.399 -4.209 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.037 -4.080 -1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.145 -3.476 0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.421 -5.094 0.354 1.00 0.00 H new ATOM 241 N GLY A 19 -1.641 -7.346 -1.356 1.00 0.00 N ATOM 242 CA GLY A 19 -1.236 -8.549 -2.060 1.00 0.00 C ATOM 243 C GLY A 19 -0.493 -9.522 -1.166 1.00 0.00 C ATOM 244 O GLY A 19 -1.038 -10.553 -0.771 1.00 0.00 O ATOM 0 H GLY A 19 -1.995 -7.501 -0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.118 -9.040 -2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.600 -8.277 -2.903 1.00 0.00 H new ATOM 248 N ASP A 20 0.754 -9.195 -0.847 1.00 0.00 N ATOM 249 CA ASP A 20 1.574 -10.048 0.006 1.00 0.00 C ATOM 250 C ASP A 20 2.905 -9.377 0.327 1.00 0.00 C ATOM 251 O ASP A 20 3.302 -8.416 -0.331 1.00 0.00 O ATOM 252 CB ASP A 20 1.819 -11.398 -0.672 1.00 0.00 C ATOM 253 CG ASP A 20 2.506 -12.390 0.246 1.00 0.00 C ATOM 254 OD1 ASP A 20 2.278 -12.320 1.472 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.272 -13.236 -0.261 1.00 0.00 O ATOM 0 H ASP A 20 1.220 -8.345 -1.166 1.00 0.00 H new ATOM 0 HA ASP A 20 1.036 -10.211 0.940 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.867 -11.813 -1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.429 -11.249 -1.563 1.00 0.00 H new ATOM 260 N ASN A 21 3.591 -9.890 1.344 1.00 0.00 N ATOM 261 CA ASN A 21 4.877 -9.339 1.754 1.00 0.00 C ATOM 262 C ASN A 21 5.873 -9.365 0.599 1.00 0.00 C ATOM 263 O ASN A 21 6.033 -10.384 -0.075 1.00 0.00 O ATOM 264 CB ASN A 21 5.437 -10.124 2.942 1.00 0.00 C ATOM 265 CG ASN A 21 5.937 -11.499 2.543 1.00 0.00 C ATOM 266 OD1 ASN A 21 6.917 -11.626 1.808 1.00 0.00 O ATOM 267 ND2 ASN A 21 5.265 -12.537 3.026 1.00 0.00 N ATOM 0 H ASN A 21 3.277 -10.686 1.899 1.00 0.00 H new ATOM 0 HA ASN A 21 4.721 -8.303 2.053 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.253 -9.561 3.394 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.663 -10.228 3.702 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.555 -13.486 2.791 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.459 -12.385 3.632 1.00 0.00 H new ATOM 274 N LEU A 22 6.541 -8.239 0.375 1.00 0.00 N ATOM 275 CA LEU A 22 7.523 -8.132 -0.698 1.00 0.00 C ATOM 276 C LEU A 22 8.933 -7.983 -0.135 1.00 0.00 C ATOM 277 O LEU A 22 9.152 -7.245 0.827 1.00 0.00 O ATOM 278 CB LEU A 22 7.194 -6.942 -1.601 1.00 0.00 C ATOM 279 CG LEU A 22 5.756 -6.868 -2.116 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.250 -8.253 -2.486 1.00 0.00 C ATOM 281 CD2 LEU A 22 4.849 -6.226 -1.076 1.00 0.00 C ATOM 0 H LEU A 22 6.420 -7.387 0.922 1.00 0.00 H new ATOM 0 HA LEU A 22 7.482 -9.049 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.410 -6.025 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.865 -6.966 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 22 5.743 -6.248 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.225 -8.181 -2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.883 -8.675 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.278 -8.897 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.830 -6.182 -1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.867 -6.819 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.200 -5.217 -0.861 1.00 0.00 H new ATOM 293 N ILE A 23 9.884 -8.685 -0.740 1.00 0.00 N ATOM 294 CA ILE A 23 11.273 -8.628 -0.300 1.00 0.00 C ATOM 295 C ILE A 23 12.203 -8.288 -1.460 1.00 0.00 C ATOM 296 O ILE A 23 12.286 -9.029 -2.439 1.00 0.00 O ATOM 297 CB ILE A 23 11.720 -9.961 0.328 1.00 0.00 C ATOM 298 CG1 ILE A 23 10.969 -10.210 1.638 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.222 -9.956 0.566 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.403 -11.469 2.354 1.00 0.00 C ATOM 0 H ILE A 23 9.719 -9.300 -1.537 1.00 0.00 H new ATOM 0 HA ILE A 23 11.333 -7.843 0.454 1.00 0.00 H new ATOM 0 HB ILE A 23 11.483 -10.769 -0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.116 -9.356 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.901 -10.271 1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.523 -10.905 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.740 -9.819 -0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.481 -9.141 1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.829 -11.581 3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.230 -12.332 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.464 -11.403 2.595 1.00 0.00 H new ATOM 312 N ILE A 24 12.902 -7.164 -1.340 1.00 0.00 N ATOM 313 CA ILE A 24 13.828 -6.727 -2.377 1.00 0.00 C ATOM 314 C ILE A 24 15.272 -6.809 -1.894 1.00 0.00 C ATOM 315 O ILE A 24 15.536 -6.843 -0.691 1.00 0.00 O ATOM 316 CB ILE A 24 13.531 -5.285 -2.828 1.00 0.00 C ATOM 317 CG1 ILE A 24 12.992 -4.462 -1.655 1.00 0.00 C ATOM 318 CG2 ILE A 24 12.540 -5.285 -3.982 1.00 0.00 C ATOM 319 CD1 ILE A 24 12.769 -3.004 -1.992 1.00 0.00 C ATOM 0 H ILE A 24 12.844 -6.540 -0.535 1.00 0.00 H new ATOM 0 HA ILE A 24 13.691 -7.399 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 24 14.459 -4.828 -3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.051 -4.897 -1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.691 -4.531 -0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.340 -4.259 -4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 24 12.959 -5.840 -4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.610 -5.756 -3.663 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.387 -2.482 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.712 -2.553 -2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.047 -2.925 -2.805 1.00 0.00 H new ATOM 331 N THR A 25 16.207 -6.839 -2.839 1.00 0.00 N ATOM 332 CA THR A 25 17.624 -6.916 -2.510 1.00 0.00 C ATOM 333 C THR A 25 18.435 -5.927 -3.340 1.00 0.00 C ATOM 334 O THR A 25 18.261 -5.830 -4.555 1.00 0.00 O ATOM 335 CB THR A 25 18.178 -8.335 -2.739 1.00 0.00 C ATOM 336 OG1 THR A 25 17.431 -9.283 -1.968 1.00 0.00 O ATOM 337 CG2 THR A 25 19.649 -8.411 -2.357 1.00 0.00 C ATOM 0 H THR A 25 16.007 -6.811 -3.839 1.00 0.00 H new ATOM 0 HA THR A 25 17.717 -6.663 -1.454 1.00 0.00 H new ATOM 0 HB THR A 25 18.081 -8.571 -3.799 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.788 -10.183 -2.120 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.017 -9.423 -2.527 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.220 -7.710 -2.966 1.00 0.00 H new ATOM 0 HG23 THR A 25 19.765 -8.155 -1.304 1.00 0.00 H new ATOM 345 N LEU A 26 19.323 -5.195 -2.676 1.00 0.00 N ATOM 346 CA LEU A 26 20.163 -4.212 -3.353 1.00 0.00 C ATOM 347 C LEU A 26 20.882 -4.838 -4.544 1.00 0.00 C ATOM 348 O LEU A 26 21.086 -6.051 -4.610 1.00 0.00 O ATOM 349 CB LEU A 26 21.185 -3.627 -2.377 1.00 0.00 C ATOM 350 CG LEU A 26 20.669 -2.533 -1.441 1.00 0.00 C ATOM 351 CD1 LEU A 26 21.759 -2.101 -0.473 1.00 0.00 C ATOM 352 CD2 LEU A 26 20.161 -1.343 -2.241 1.00 0.00 C ATOM 0 H LEU A 26 19.480 -5.263 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 26 19.520 -3.412 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.583 -4.439 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.017 -3.222 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 26 19.838 -2.938 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.374 -1.322 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.076 -2.956 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.611 -1.714 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.798 -0.574 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.973 -0.938 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.348 -1.663 -2.893 1.00 0.00 H new ATOM 364 N PRO A 27 21.276 -3.994 -5.508 1.00 0.00 N ATOM 365 CA PRO A 27 21.038 -2.549 -5.441 1.00 0.00 C ATOM 366 C PRO A 27 19.563 -2.197 -5.601 1.00 0.00 C ATOM 367 O PRO A 27 19.143 -1.083 -5.285 1.00 0.00 O ATOM 368 CB PRO A 27 21.849 -2.000 -6.618 1.00 0.00 C ATOM 369 CG PRO A 27 21.940 -3.137 -7.577 1.00 0.00 C ATOM 370 CD PRO A 27 21.985 -4.384 -6.739 1.00 0.00 C ATOM 0 HA PRO A 27 21.327 -2.133 -4.476 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.357 -1.139 -7.070 1.00 0.00 H new ATOM 0 HB3 PRO A 27 22.838 -1.671 -6.299 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.082 -3.150 -8.249 1.00 0.00 H new ATOM 0 HG3 PRO A 27 22.831 -3.052 -8.199 1.00 0.00 H new ATOM 0 HD2 PRO A 27 21.495 -5.221 -7.237 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.010 -4.692 -6.532 1.00 0.00 H new ATOM 378 N ASP A 28 18.781 -3.152 -6.092 1.00 0.00 N ATOM 379 CA ASP A 28 17.352 -2.943 -6.292 1.00 0.00 C ATOM 380 C ASP A 28 16.687 -2.467 -5.004 1.00 0.00 C ATOM 381 O ASP A 28 16.443 -3.255 -4.092 1.00 0.00 O ATOM 382 CB ASP A 28 16.689 -4.233 -6.777 1.00 0.00 C ATOM 383 CG ASP A 28 17.519 -4.954 -7.820 1.00 0.00 C ATOM 384 OD1 ASP A 28 17.647 -4.427 -8.945 1.00 0.00 O ATOM 385 OD2 ASP A 28 18.042 -6.045 -7.512 1.00 0.00 O ATOM 0 H ASP A 28 19.113 -4.079 -6.359 1.00 0.00 H new ATOM 0 HA ASP A 28 17.225 -2.171 -7.051 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.524 -4.895 -5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.709 -4.000 -7.194 1.00 0.00 H new ATOM 390 N ASN A 29 16.397 -1.171 -4.938 1.00 0.00 N ATOM 391 CA ASN A 29 15.762 -0.590 -3.761 1.00 0.00 C ATOM 392 C ASN A 29 14.423 0.046 -4.124 1.00 0.00 C ATOM 393 O ASN A 29 13.898 0.876 -3.383 1.00 0.00 O ATOM 394 CB ASN A 29 16.679 0.456 -3.125 1.00 0.00 C ATOM 395 CG ASN A 29 17.364 1.329 -4.158 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.575 1.930 -5.041 1.00 0.00 O flip ATOM 397 ND2 ASN A 29 18.588 1.462 -4.162 1.00 0.00 N flip ATOM 0 H ASN A 29 16.592 -0.504 -5.685 1.00 0.00 H new ATOM 0 HA ASN A 29 15.582 -1.391 -3.044 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.096 1.084 -2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.434 -0.046 -2.520 1.00 0.00 H new ATOM 0 HD21 ASN A 29 19.156 0.981 -3.464 1.00 0.00 H new ATOM 0 HD22 ASN A 29 19.034 2.053 -4.863 1.00 0.00 H new ATOM 404 N GLU A 30 13.876 -0.352 -5.268 1.00 0.00 N ATOM 405 CA GLU A 30 12.598 0.179 -5.729 1.00 0.00 C ATOM 406 C GLU A 30 11.521 -0.901 -5.710 1.00 0.00 C ATOM 407 O GLU A 30 11.796 -2.073 -5.968 1.00 0.00 O ATOM 408 CB GLU A 30 12.738 0.751 -7.142 1.00 0.00 C ATOM 409 CG GLU A 30 14.011 1.553 -7.351 1.00 0.00 C ATOM 410 CD GLU A 30 14.111 2.136 -8.747 1.00 0.00 C ATOM 411 OE1 GLU A 30 13.683 1.458 -9.705 1.00 0.00 O ATOM 412 OE2 GLU A 30 14.616 3.270 -8.881 1.00 0.00 O ATOM 0 H GLU A 30 14.297 -1.040 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 30 12.299 0.977 -5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.713 -0.068 -7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.879 1.387 -7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.051 2.361 -6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.874 0.913 -7.166 1.00 0.00 H new ATOM 419 N VAL A 31 10.292 -0.498 -5.401 1.00 0.00 N ATOM 420 CA VAL A 31 9.173 -1.431 -5.348 1.00 0.00 C ATOM 421 C VAL A 31 7.861 -0.734 -5.690 1.00 0.00 C ATOM 422 O VAL A 31 7.611 0.389 -5.253 1.00 0.00 O ATOM 423 CB VAL A 31 9.049 -2.080 -3.956 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.283 -1.049 -2.863 1.00 0.00 C ATOM 425 CG2 VAL A 31 7.687 -2.739 -3.796 1.00 0.00 C ATOM 0 H VAL A 31 10.047 0.468 -5.184 1.00 0.00 H new ATOM 0 HA VAL A 31 9.372 -2.208 -6.086 1.00 0.00 H new ATOM 0 HB VAL A 31 9.814 -2.851 -3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.191 -1.526 -1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.283 -0.628 -2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.543 -0.253 -2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.616 -3.193 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.904 -1.989 -3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.563 -3.509 -4.558 1.00 0.00 H new ATOM 435 N GLU A 32 7.026 -1.408 -6.475 1.00 0.00 N ATOM 436 CA GLU A 32 5.739 -0.853 -6.877 1.00 0.00 C ATOM 437 C GLU A 32 4.589 -1.645 -6.262 1.00 0.00 C ATOM 438 O GLU A 32 4.243 -2.728 -6.737 1.00 0.00 O ATOM 439 CB GLU A 32 5.614 -0.849 -8.402 1.00 0.00 C ATOM 440 CG GLU A 32 4.217 -0.515 -8.896 1.00 0.00 C ATOM 441 CD GLU A 32 4.199 -0.094 -10.353 1.00 0.00 C ATOM 442 OE1 GLU A 32 5.095 -0.526 -11.107 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.287 0.667 -10.739 1.00 0.00 O ATOM 0 H GLU A 32 7.218 -2.339 -6.845 1.00 0.00 H new ATOM 0 HA GLU A 32 5.685 0.173 -6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.319 -0.127 -8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.901 -1.828 -8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.572 -1.384 -8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.801 0.286 -8.285 1.00 0.00 H new ATOM 450 N LEU A 33 4.002 -1.099 -5.204 1.00 0.00 N ATOM 451 CA LEU A 33 2.890 -1.754 -4.522 1.00 0.00 C ATOM 452 C LEU A 33 1.563 -1.413 -5.193 1.00 0.00 C ATOM 453 O LEU A 33 1.430 -0.371 -5.836 1.00 0.00 O ATOM 454 CB LEU A 33 2.853 -1.340 -3.051 1.00 0.00 C ATOM 455 CG LEU A 33 4.199 -1.319 -2.325 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.188 -0.284 -1.211 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.528 -2.698 -1.771 1.00 0.00 C ATOM 0 H LEU A 33 4.277 -0.204 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 33 3.041 -2.832 -4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.412 -0.345 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.187 -2.020 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 33 4.973 -1.043 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.154 -0.283 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.999 0.703 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.404 -0.529 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.489 -2.664 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.752 -3.003 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.579 -3.416 -2.589 1.00 0.00 H new ATOM 469 N LYS A 34 0.583 -2.295 -5.036 1.00 0.00 N ATOM 470 CA LYS A 34 -0.736 -2.087 -5.622 1.00 0.00 C ATOM 471 C LYS A 34 -1.836 -2.419 -4.619 1.00 0.00 C ATOM 472 O LYS A 34 -1.810 -3.470 -3.980 1.00 0.00 O ATOM 473 CB LYS A 34 -0.900 -2.947 -6.878 1.00 0.00 C ATOM 474 CG LYS A 34 -2.148 -2.619 -7.680 1.00 0.00 C ATOM 475 CD LYS A 34 -2.251 -3.481 -8.927 1.00 0.00 C ATOM 476 CE LYS A 34 -3.543 -3.214 -9.684 1.00 0.00 C ATOM 477 NZ LYS A 34 -3.464 -1.964 -10.490 1.00 0.00 N ATOM 0 H LYS A 34 0.677 -3.162 -4.507 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.823 -1.035 -5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.025 -2.817 -7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.930 -3.997 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.031 -2.769 -7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.133 -1.567 -7.964 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.399 -3.284 -9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.202 -4.534 -8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.760 -4.057 -10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.369 -3.139 -8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.363 -1.817 -10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.282 -1.156 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.692 -2.045 -11.182 1.00 0.00 H new ATOM 491 N ALA A 35 -2.802 -1.515 -4.486 1.00 0.00 N ATOM 492 CA ALA A 35 -3.912 -1.714 -3.563 1.00 0.00 C ATOM 493 C ALA A 35 -5.068 -2.440 -4.244 1.00 0.00 C ATOM 494 O ALA A 35 -5.348 -2.216 -5.422 1.00 0.00 O ATOM 495 CB ALA A 35 -4.381 -0.378 -3.005 1.00 0.00 C ATOM 0 H ALA A 35 -2.838 -0.638 -5.006 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.561 -2.336 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.210 -0.542 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.559 0.103 -2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.710 0.263 -3.823 1.00 0.00 H new ATOM 501 N PHE A 36 -5.737 -3.310 -3.495 1.00 0.00 N ATOM 502 CA PHE A 36 -6.862 -4.071 -4.027 1.00 0.00 C ATOM 503 C PHE A 36 -8.061 -3.998 -3.086 1.00 0.00 C ATOM 504 O PHE A 36 -7.988 -4.427 -1.934 1.00 0.00 O ATOM 505 CB PHE A 36 -6.460 -5.530 -4.247 1.00 0.00 C ATOM 506 CG PHE A 36 -5.611 -5.741 -5.468 1.00 0.00 C ATOM 507 CD1 PHE A 36 -6.173 -5.702 -6.734 1.00 0.00 C ATOM 508 CD2 PHE A 36 -4.251 -5.977 -5.350 1.00 0.00 C ATOM 509 CE1 PHE A 36 -5.395 -5.895 -7.860 1.00 0.00 C ATOM 510 CE2 PHE A 36 -3.468 -6.170 -6.472 1.00 0.00 C ATOM 511 CZ PHE A 36 -4.040 -6.131 -7.728 1.00 0.00 C ATOM 0 H PHE A 36 -5.520 -3.506 -2.518 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.146 -3.632 -4.983 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.917 -5.885 -3.371 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.361 -6.138 -4.331 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.232 -5.519 -6.842 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.798 -6.010 -4.370 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.845 -5.861 -8.841 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.409 -6.351 -6.366 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.430 -6.285 -8.606 1.00 0.00 H new ATOM 521 N VAL A 37 -9.165 -3.450 -3.585 1.00 0.00 N ATOM 522 CA VAL A 37 -10.381 -3.321 -2.790 1.00 0.00 C ATOM 523 C VAL A 37 -11.398 -4.394 -3.163 1.00 0.00 C ATOM 524 O VAL A 37 -11.706 -4.589 -4.338 1.00 0.00 O ATOM 525 CB VAL A 37 -11.024 -1.934 -2.971 1.00 0.00 C ATOM 526 CG1 VAL A 37 -12.241 -1.788 -2.069 1.00 0.00 C ATOM 527 CG2 VAL A 37 -10.009 -0.835 -2.692 1.00 0.00 C ATOM 0 H VAL A 37 -9.242 -3.088 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.092 -3.446 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.354 -1.838 -4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.682 -0.801 -2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.975 -2.553 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.939 -1.904 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.481 0.138 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.647 -0.926 -1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.171 -0.929 -3.383 1.00 0.00 H new ATOM 537 N ALA A 38 -11.916 -5.086 -2.154 1.00 0.00 N ATOM 538 CA ALA A 38 -12.901 -6.138 -2.375 1.00 0.00 C ATOM 539 C ALA A 38 -14.179 -5.867 -1.589 1.00 0.00 C ATOM 540 O ALA A 38 -14.162 -5.696 -0.370 1.00 0.00 O ATOM 541 CB ALA A 38 -12.321 -7.492 -1.994 1.00 0.00 C ATOM 0 H ALA A 38 -11.670 -4.937 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.154 -6.149 -3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.067 -8.268 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.441 -7.695 -2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.039 -7.484 -0.941 1.00 0.00 H new ATOM 547 N PRO A 39 -15.315 -5.827 -2.302 1.00 0.00 N ATOM 548 CA PRO A 39 -15.347 -6.029 -3.753 1.00 0.00 C ATOM 549 C PRO A 39 -14.713 -4.869 -4.514 1.00 0.00 C ATOM 550 O PRO A 39 -14.595 -3.762 -3.990 1.00 0.00 O ATOM 551 CB PRO A 39 -16.843 -6.120 -4.066 1.00 0.00 C ATOM 552 CG PRO A 39 -17.506 -5.365 -2.966 1.00 0.00 C ATOM 553 CD PRO A 39 -16.656 -5.580 -1.745 1.00 0.00 C ATOM 0 HA PRO A 39 -14.780 -6.910 -4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.071 -5.685 -5.039 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.179 -7.156 -4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.579 -4.305 -3.209 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.522 -5.725 -2.803 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.665 -4.708 -1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.008 -6.426 -1.154 1.00 0.00 H new ATOM 561 N ALA A 40 -14.308 -5.131 -5.752 1.00 0.00 N ATOM 562 CA ALA A 40 -13.688 -4.108 -6.586 1.00 0.00 C ATOM 563 C ALA A 40 -14.717 -3.084 -7.052 1.00 0.00 C ATOM 564 O ALA A 40 -15.870 -3.410 -7.333 1.00 0.00 O ATOM 565 CB ALA A 40 -12.998 -4.748 -7.781 1.00 0.00 C ATOM 0 H ALA A 40 -14.398 -6.043 -6.200 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.941 -3.588 -5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.540 -3.973 -8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.228 -5.436 -7.431 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.731 -5.295 -8.375 1.00 0.00 H new ATOM 571 N PRO A 41 -14.292 -1.814 -7.137 1.00 0.00 N ATOM 572 CA PRO A 41 -15.162 -0.716 -7.569 1.00 0.00 C ATOM 573 C PRO A 41 -15.510 -0.801 -9.051 1.00 0.00 C ATOM 574 O PRO A 41 -14.884 -1.531 -9.820 1.00 0.00 O ATOM 575 CB PRO A 41 -14.322 0.533 -7.288 1.00 0.00 C ATOM 576 CG PRO A 41 -12.911 0.059 -7.335 1.00 0.00 C ATOM 577 CD PRO A 41 -12.931 -1.353 -6.818 1.00 0.00 C ATOM 0 HA PRO A 41 -16.121 -0.728 -7.051 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.504 1.308 -8.032 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.563 0.962 -6.315 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.520 0.097 -8.352 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.267 0.690 -6.722 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.174 -1.969 -7.303 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.735 -1.391 -5.747 1.00 0.00 H new ATOM 585 N PRO A 42 -16.533 -0.038 -9.465 1.00 0.00 N ATOM 586 CA PRO A 42 -16.987 -0.010 -10.858 1.00 0.00 C ATOM 587 C PRO A 42 -15.980 0.667 -11.782 1.00 0.00 C ATOM 588 O PRO A 42 -14.878 1.021 -11.363 1.00 0.00 O ATOM 589 CB PRO A 42 -18.283 0.801 -10.793 1.00 0.00 C ATOM 590 CG PRO A 42 -18.132 1.660 -9.585 1.00 0.00 C ATOM 591 CD PRO A 42 -17.325 0.856 -8.603 1.00 0.00 C ATOM 0 HA PRO A 42 -17.116 -1.013 -11.265 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -18.419 1.402 -11.692 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.153 0.150 -10.710 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -17.628 2.595 -9.831 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -19.105 1.922 -9.169 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -16.687 1.493 -7.990 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -17.964 0.295 -7.921 1.00 0.00 H new ATOM 599 N VAL A 43 -16.367 0.847 -13.041 1.00 0.00 N ATOM 600 CA VAL A 43 -15.498 1.483 -14.024 1.00 0.00 C ATOM 601 C VAL A 43 -15.540 3.002 -13.892 1.00 0.00 C ATOM 602 O VAL A 43 -14.745 3.710 -14.510 1.00 0.00 O ATOM 603 CB VAL A 43 -15.895 1.093 -15.460 1.00 0.00 C ATOM 604 CG1 VAL A 43 -17.354 1.435 -15.723 1.00 0.00 C ATOM 605 CG2 VAL A 43 -14.988 1.781 -16.469 1.00 0.00 C ATOM 0 H VAL A 43 -17.276 0.561 -13.404 1.00 0.00 H new ATOM 0 HA VAL A 43 -14.485 1.131 -13.827 1.00 0.00 H new ATOM 0 HB VAL A 43 -15.773 0.016 -15.572 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -17.616 1.152 -16.743 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.987 0.892 -15.022 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -17.506 2.507 -15.593 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -15.283 1.494 -17.478 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.075 2.862 -16.359 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -13.955 1.481 -16.294 1.00 0.00 H new ATOM 615 N GLU A 44 -16.471 3.495 -13.082 1.00 0.00 N ATOM 616 CA GLU A 44 -16.616 4.930 -12.869 1.00 0.00 C ATOM 617 C GLU A 44 -16.106 5.329 -11.487 1.00 0.00 C ATOM 618 O GLU A 44 -15.083 6.003 -11.361 1.00 0.00 O ATOM 619 CB GLU A 44 -18.080 5.346 -13.024 1.00 0.00 C ATOM 620 CG GLU A 44 -18.510 5.532 -14.469 1.00 0.00 C ATOM 621 CD GLU A 44 -20.016 5.472 -14.642 1.00 0.00 C ATOM 622 OE1 GLU A 44 -20.554 4.351 -14.758 1.00 0.00 O ATOM 623 OE2 GLU A 44 -20.655 6.544 -14.663 1.00 0.00 O ATOM 0 H GLU A 44 -17.136 2.922 -12.563 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.018 5.445 -13.621 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -18.715 4.591 -12.559 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -18.244 6.278 -12.482 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -18.144 6.492 -14.832 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -18.046 4.761 -15.084 1.00 0.00 H new ATOM 630 N THR A 45 -16.827 4.909 -10.452 1.00 0.00 N ATOM 631 CA THR A 45 -16.449 5.224 -9.080 1.00 0.00 C ATOM 632 C THR A 45 -15.079 4.649 -8.741 1.00 0.00 C ATOM 633 O THR A 45 -14.840 3.451 -8.898 1.00 0.00 O ATOM 634 CB THR A 45 -17.483 4.682 -8.075 1.00 0.00 C ATOM 635 OG1 THR A 45 -18.789 5.169 -8.405 1.00 0.00 O ATOM 636 CG2 THR A 45 -17.126 5.096 -6.656 1.00 0.00 C ATOM 0 H THR A 45 -17.676 4.350 -10.538 1.00 0.00 H new ATOM 0 HA THR A 45 -16.413 6.311 -9.004 1.00 0.00 H new ATOM 0 HB THR A 45 -17.476 3.594 -8.132 1.00 0.00 H new ATOM 0 HG1 THR A 45 -19.441 4.819 -7.763 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.870 4.702 -5.964 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.144 4.700 -6.397 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.107 6.184 -6.588 1.00 0.00 H new ATOM 644 N THR A 46 -14.180 5.510 -8.275 1.00 0.00 N ATOM 645 CA THR A 46 -12.832 5.087 -7.914 1.00 0.00 C ATOM 646 C THR A 46 -12.515 5.441 -6.466 1.00 0.00 C ATOM 647 O THR A 46 -12.477 6.615 -6.097 1.00 0.00 O ATOM 648 CB THR A 46 -11.777 5.733 -8.832 1.00 0.00 C ATOM 649 OG1 THR A 46 -11.956 7.153 -8.862 1.00 0.00 O ATOM 650 CG2 THR A 46 -11.872 5.175 -10.243 1.00 0.00 C ATOM 0 H THR A 46 -14.361 6.505 -8.139 1.00 0.00 H new ATOM 0 HA THR A 46 -12.796 4.005 -8.037 1.00 0.00 H new ATOM 0 HB THR A 46 -10.790 5.500 -8.432 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.207 7.470 -7.969 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.117 5.646 -10.872 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.705 4.098 -10.220 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.862 5.380 -10.649 1.00 0.00 H new ATOM 658 N TYR A 47 -12.287 4.419 -5.649 1.00 0.00 N ATOM 659 CA TYR A 47 -11.974 4.622 -4.239 1.00 0.00 C ATOM 660 C TYR A 47 -10.714 5.467 -4.077 1.00 0.00 C ATOM 661 O TYR A 47 -10.063 5.825 -5.058 1.00 0.00 O ATOM 662 CB TYR A 47 -11.792 3.275 -3.537 1.00 0.00 C ATOM 663 CG TYR A 47 -13.050 2.437 -3.499 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.233 2.948 -2.980 1.00 0.00 C ATOM 665 CD2 TYR A 47 -13.055 1.135 -3.983 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.384 2.186 -2.943 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.202 0.365 -3.951 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.364 0.895 -3.430 1.00 0.00 C ATOM 669 OH TYR A 47 -16.509 0.133 -3.396 1.00 0.00 O ATOM 0 H TYR A 47 -12.313 3.441 -5.939 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.808 5.154 -3.780 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.007 2.714 -4.044 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.451 3.450 -2.517 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.253 3.958 -2.599 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.147 0.717 -4.391 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.295 2.598 -2.535 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.189 -0.646 -4.332 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.325 -0.751 -3.778 1.00 0.00 H new ATOM 679 N ASN A 48 -10.377 5.782 -2.831 1.00 0.00 N ATOM 680 CA ASN A 48 -9.195 6.585 -2.538 1.00 0.00 C ATOM 681 C ASN A 48 -8.129 5.749 -1.836 1.00 0.00 C ATOM 682 O ASN A 48 -8.403 5.093 -0.830 1.00 0.00 O ATOM 683 CB ASN A 48 -9.572 7.786 -1.669 1.00 0.00 C ATOM 684 CG ASN A 48 -10.357 8.832 -2.437 1.00 0.00 C ATOM 685 OD1 ASN A 48 -11.501 9.137 -2.099 1.00 0.00 O ATOM 686 ND2 ASN A 48 -9.744 9.386 -3.477 1.00 0.00 N ATOM 0 H ASN A 48 -10.906 5.494 -2.008 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.786 6.943 -3.483 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.162 7.445 -0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.666 8.239 -1.267 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.222 10.095 -4.032 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.795 9.102 -3.720 1.00 0.00 H new ATOM 693 N TYR A 49 -6.914 5.778 -2.372 1.00 0.00 N ATOM 694 CA TYR A 49 -5.808 5.022 -1.798 1.00 0.00 C ATOM 695 C TYR A 49 -4.835 5.946 -1.073 1.00 0.00 C ATOM 696 O TYR A 49 -4.119 6.726 -1.700 1.00 0.00 O ATOM 697 CB TYR A 49 -5.072 4.245 -2.891 1.00 0.00 C ATOM 698 CG TYR A 49 -5.988 3.428 -3.774 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.550 3.975 -4.921 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.290 2.108 -3.462 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.388 3.232 -5.730 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.126 1.357 -4.266 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.672 1.924 -5.399 1.00 0.00 C ATOM 704 OH TYR A 49 -8.506 1.180 -6.203 1.00 0.00 O ATOM 0 H TYR A 49 -6.670 6.317 -3.203 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.219 4.318 -1.075 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.514 4.947 -3.511 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.343 3.582 -2.425 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.328 4.999 -5.185 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.864 1.661 -2.576 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.818 3.673 -6.617 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.351 0.332 -4.009 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.602 0.279 -5.830 1.00 0.00 H new ATOM 714 N GLU A 50 -4.815 5.851 0.253 1.00 0.00 N ATOM 715 CA GLU A 50 -3.930 6.678 1.065 1.00 0.00 C ATOM 716 C GLU A 50 -2.916 5.818 1.814 1.00 0.00 C ATOM 717 O GLU A 50 -3.255 5.153 2.793 1.00 0.00 O ATOM 718 CB GLU A 50 -4.743 7.510 2.058 1.00 0.00 C ATOM 719 CG GLU A 50 -3.890 8.236 3.086 1.00 0.00 C ATOM 720 CD GLU A 50 -4.649 8.543 4.362 1.00 0.00 C ATOM 721 OE1 GLU A 50 -4.869 7.610 5.161 1.00 0.00 O ATOM 722 OE2 GLU A 50 -5.023 9.718 4.561 1.00 0.00 O ATOM 0 H GLU A 50 -5.401 5.210 0.787 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.388 7.349 0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.335 8.241 1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.445 6.857 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.018 7.627 3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.521 9.166 2.654 1.00 0.00 H new ATOM 729 N TRP A 51 -1.674 5.837 1.347 1.00 0.00 N ATOM 730 CA TRP A 51 -0.610 5.058 1.972 1.00 0.00 C ATOM 731 C TRP A 51 0.070 5.856 3.079 1.00 0.00 C ATOM 732 O TRP A 51 0.041 7.086 3.077 1.00 0.00 O ATOM 733 CB TRP A 51 0.421 4.633 0.926 1.00 0.00 C ATOM 734 CG TRP A 51 -0.151 3.765 -0.154 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.907 4.169 -1.217 1.00 0.00 C ATOM 736 CD2 TRP A 51 -0.014 2.344 -0.273 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.248 3.085 -1.990 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.712 1.955 -1.433 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.632 1.364 0.485 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.782 0.628 -1.849 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.562 0.048 0.071 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.140 -0.311 -1.087 1.00 0.00 C ATOM 0 H TRP A 51 -1.378 6.383 0.538 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.057 4.167 2.414 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.857 5.524 0.474 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.231 4.098 1.421 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -1.195 5.190 -1.420 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.810 3.117 -2.841 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.176 1.631 1.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.323 0.349 -2.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.057 -0.717 0.650 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.175 -1.349 -1.384 1.00 0.00 H new ATOM 753 N ASN A 52 0.681 5.148 4.023 1.00 0.00 N ATOM 754 CA ASN A 52 1.368 5.792 5.137 1.00 0.00 C ATOM 755 C ASN A 52 2.306 4.813 5.836 1.00 0.00 C ATOM 756 O ASN A 52 2.027 3.616 5.914 1.00 0.00 O ATOM 757 CB ASN A 52 0.352 6.346 6.138 1.00 0.00 C ATOM 758 CG ASN A 52 -0.186 7.702 5.725 1.00 0.00 C ATOM 759 OD1 ASN A 52 0.486 8.721 5.876 1.00 0.00 O ATOM 760 ND2 ASN A 52 -1.406 7.719 5.201 1.00 0.00 N ATOM 0 H ASN A 52 0.715 4.129 4.039 1.00 0.00 H new ATOM 0 HA ASN A 52 1.962 6.615 4.739 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.476 5.644 6.237 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.820 6.427 7.119 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.822 8.602 4.905 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.927 6.849 5.094 1.00 0.00 H new ATOM 767 N LEU A 53 3.420 5.329 6.344 1.00 0.00 N ATOM 768 CA LEU A 53 4.400 4.501 7.038 1.00 0.00 C ATOM 769 C LEU A 53 4.186 4.554 8.547 1.00 0.00 C ATOM 770 O LEU A 53 4.310 5.612 9.165 1.00 0.00 O ATOM 771 CB LEU A 53 5.818 4.961 6.696 1.00 0.00 C ATOM 772 CG LEU A 53 6.943 3.985 7.045 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.580 2.575 6.606 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.250 4.426 6.402 1.00 0.00 C ATOM 0 H LEU A 53 3.667 6.317 6.288 1.00 0.00 H new ATOM 0 HA LEU A 53 4.269 3.471 6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.863 5.169 5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.008 5.902 7.212 1.00 0.00 H new ATOM 0 HG LEU A 53 7.076 3.984 8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.392 1.894 6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.668 2.260 7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.420 2.559 5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.039 3.720 6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.131 4.456 5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.517 5.418 6.765 1.00 0.00 H new ATOM 786 N ILE A 54 3.867 3.405 9.135 1.00 0.00 N ATOM 787 CA ILE A 54 3.639 3.320 10.572 1.00 0.00 C ATOM 788 C ILE A 54 4.783 2.590 11.267 1.00 0.00 C ATOM 789 O ILE A 54 5.092 2.861 12.427 1.00 0.00 O ATOM 790 CB ILE A 54 2.316 2.599 10.891 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.329 1.183 10.312 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.137 3.390 10.344 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.872 1.115 8.871 1.00 0.00 C ATOM 0 H ILE A 54 3.761 2.521 8.638 1.00 0.00 H new ATOM 0 HA ILE A 54 3.584 4.343 10.944 1.00 0.00 H new ATOM 0 HB ILE A 54 2.210 2.527 11.973 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.339 0.779 10.384 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.687 0.545 10.919 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.209 2.868 10.577 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.121 4.380 10.799 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.236 3.489 9.263 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.907 0.081 8.527 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.851 1.489 8.795 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.529 1.726 8.252 1.00 0.00 H new ATOM 805 N SER A 55 5.410 1.663 10.549 1.00 0.00 N ATOM 806 CA SER A 55 6.519 0.892 11.097 1.00 0.00 C ATOM 807 C SER A 55 7.740 0.973 10.186 1.00 0.00 C ATOM 808 O SER A 55 7.705 0.524 9.040 1.00 0.00 O ATOM 809 CB SER A 55 6.107 -0.569 11.288 1.00 0.00 C ATOM 810 OG SER A 55 5.406 -0.747 12.506 1.00 0.00 O ATOM 0 H SER A 55 5.168 1.428 9.586 1.00 0.00 H new ATOM 0 HA SER A 55 6.781 1.318 12.066 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.480 -0.885 10.454 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.993 -1.204 11.279 1.00 0.00 H new ATOM 0 HG SER A 55 5.153 -1.689 12.603 1.00 0.00 H new ATOM 816 N HIS A 56 8.820 1.550 10.704 1.00 0.00 N ATOM 817 CA HIS A 56 10.054 1.691 9.939 1.00 0.00 C ATOM 818 C HIS A 56 11.192 2.182 10.828 1.00 0.00 C ATOM 819 O HIS A 56 10.979 2.868 11.828 1.00 0.00 O ATOM 820 CB HIS A 56 9.848 2.658 8.773 1.00 0.00 C ATOM 821 CG HIS A 56 9.774 4.094 9.192 1.00 0.00 C ATOM 822 ND1 HIS A 56 10.759 5.015 8.899 1.00 0.00 N ATOM 823 CD2 HIS A 56 8.825 4.767 9.883 1.00 0.00 C ATOM 824 CE1 HIS A 56 10.419 6.191 9.395 1.00 0.00 C ATOM 825 NE2 HIS A 56 9.250 6.068 9.996 1.00 0.00 N ATOM 0 H HIS A 56 8.865 1.927 11.650 1.00 0.00 H new ATOM 0 HA HIS A 56 10.322 0.711 9.545 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.666 2.537 8.063 1.00 0.00 H new ATOM 0 HB3 HIS A 56 8.929 2.393 8.250 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.905 4.357 10.273 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.999 7.099 9.321 1.00 0.00 H new ATOM 0 HE2 HIS A 56 8.744 6.818 10.468 1.00 0.00 H new ATOM 834 N PRO A 57 12.430 1.824 10.457 1.00 0.00 N ATOM 835 CA PRO A 57 13.626 2.217 11.208 1.00 0.00 C ATOM 836 C PRO A 57 13.918 3.709 11.093 1.00 0.00 C ATOM 837 O PRO A 57 13.658 4.326 10.059 1.00 0.00 O ATOM 838 CB PRO A 57 14.742 1.401 10.550 1.00 0.00 C ATOM 839 CG PRO A 57 14.252 1.134 9.169 1.00 0.00 C ATOM 840 CD PRO A 57 12.758 1.007 9.277 1.00 0.00 C ATOM 0 HA PRO A 57 13.516 2.031 12.276 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.681 1.954 10.537 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.926 0.473 11.091 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.527 1.944 8.494 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.693 0.222 8.768 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.258 1.376 8.382 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.452 -0.031 9.409 1.00 0.00 H new ATOM 848 N THR A 58 14.462 4.286 12.160 1.00 0.00 N ATOM 849 CA THR A 58 14.789 5.706 12.179 1.00 0.00 C ATOM 850 C THR A 58 15.915 6.024 11.202 1.00 0.00 C ATOM 851 O THR A 58 16.061 7.163 10.758 1.00 0.00 O ATOM 852 CB THR A 58 15.202 6.169 13.589 1.00 0.00 C ATOM 853 OG1 THR A 58 15.080 7.592 13.692 1.00 0.00 O ATOM 854 CG2 THR A 58 16.632 5.754 13.897 1.00 0.00 C ATOM 0 H THR A 58 14.686 3.791 13.023 1.00 0.00 H new ATOM 0 HA THR A 58 13.888 6.241 11.878 1.00 0.00 H new ATOM 0 HB THR A 58 14.539 5.694 14.313 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.343 7.879 14.592 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.901 6.092 14.898 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.715 4.668 13.846 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.306 6.204 13.168 1.00 0.00 H new ATOM 862 N ASP A 59 16.707 5.010 10.869 1.00 0.00 N ATOM 863 CA ASP A 59 17.819 5.182 9.942 1.00 0.00 C ATOM 864 C ASP A 59 17.314 5.523 8.544 1.00 0.00 C ATOM 865 O ASP A 59 18.033 6.120 7.742 1.00 0.00 O ATOM 866 CB ASP A 59 18.671 3.912 9.894 1.00 0.00 C ATOM 867 CG ASP A 59 19.684 3.851 11.021 1.00 0.00 C ATOM 868 OD1 ASP A 59 19.321 4.202 12.163 1.00 0.00 O ATOM 869 OD2 ASP A 59 20.839 3.453 10.760 1.00 0.00 O ATOM 0 H ASP A 59 16.599 4.061 11.227 1.00 0.00 H new ATOM 0 HA ASP A 59 18.432 6.009 10.299 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.020 3.039 9.947 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.192 3.864 8.938 1.00 0.00 H new ATOM 874 N TYR A 60 16.075 5.140 8.259 1.00 0.00 N ATOM 875 CA TYR A 60 15.474 5.403 6.956 1.00 0.00 C ATOM 876 C TYR A 60 15.488 6.895 6.641 1.00 0.00 C ATOM 877 O TYR A 60 15.073 7.717 7.458 1.00 0.00 O ATOM 878 CB TYR A 60 14.039 4.875 6.917 1.00 0.00 C ATOM 879 CG TYR A 60 13.332 5.142 5.608 1.00 0.00 C ATOM 880 CD1 TYR A 60 14.011 5.055 4.398 1.00 0.00 C ATOM 881 CD2 TYR A 60 11.985 5.481 5.579 1.00 0.00 C ATOM 882 CE1 TYR A 60 13.369 5.298 3.200 1.00 0.00 C ATOM 883 CE2 TYR A 60 11.334 5.724 4.385 1.00 0.00 C ATOM 884 CZ TYR A 60 12.031 5.632 3.198 1.00 0.00 C ATOM 885 OH TYR A 60 11.387 5.875 2.006 1.00 0.00 O ATOM 0 H TYR A 60 15.467 4.646 8.912 1.00 0.00 H new ATOM 0 HA TYR A 60 16.065 4.885 6.200 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.051 3.801 7.102 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.470 5.331 7.727 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.059 4.793 4.395 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.437 5.556 6.507 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.912 5.227 2.269 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.286 5.984 4.381 1.00 0.00 H new ATOM 0 HH TYR A 60 10.448 6.096 2.180 1.00 0.00 H new ATOM 934 N ILE A 64 8.113 8.862 1.848 1.00 0.00 N ATOM 935 CA ILE A 64 6.996 8.456 1.004 1.00 0.00 C ATOM 936 C ILE A 64 5.975 9.580 0.865 1.00 0.00 C ATOM 937 O ILE A 64 5.910 10.482 1.701 1.00 0.00 O ATOM 938 CB ILE A 64 6.293 7.206 1.564 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.320 6.236 2.151 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.476 6.525 0.475 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.699 5.067 2.883 1.00 0.00 C ATOM 0 HA ILE A 64 7.410 8.221 0.024 1.00 0.00 H new ATOM 0 HB ILE A 64 5.616 7.515 2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.950 5.857 1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.970 6.779 2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.985 5.643 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.723 7.217 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.134 6.226 -0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.486 4.422 3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.091 5.436 3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.071 4.500 2.196 1.00 0.00 H new ATOM 953 N LYS A 65 5.176 9.520 -0.195 1.00 0.00 N ATOM 954 CA LYS A 65 4.155 10.530 -0.443 1.00 0.00 C ATOM 955 C LYS A 65 2.762 9.978 -0.155 1.00 0.00 C ATOM 956 O LYS A 65 1.763 10.512 -0.635 1.00 0.00 O ATOM 957 CB LYS A 65 4.232 11.018 -1.891 1.00 0.00 C ATOM 958 CG LYS A 65 5.432 11.907 -2.171 1.00 0.00 C ATOM 959 CD LYS A 65 5.136 12.912 -3.271 1.00 0.00 C ATOM 960 CE LYS A 65 5.351 12.307 -4.650 1.00 0.00 C ATOM 961 NZ LYS A 65 5.741 13.337 -5.653 1.00 0.00 N ATOM 0 H LYS A 65 5.216 8.781 -0.897 1.00 0.00 H new ATOM 0 HA LYS A 65 4.340 11.369 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.267 10.154 -2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.321 11.566 -2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.715 12.435 -1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.283 11.291 -2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.107 13.259 -3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.778 13.784 -3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.126 11.543 -4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.437 11.811 -4.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.878 12.885 -6.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.990 14.053 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.627 13.793 -5.356 1.00 0.00 H new ATOM 975 N GLN A 66 2.706 8.909 0.632 1.00 0.00 N ATOM 976 CA GLN A 66 1.435 8.286 0.983 1.00 0.00 C ATOM 977 C GLN A 66 0.703 7.800 -0.263 1.00 0.00 C ATOM 978 O GLN A 66 -0.521 7.675 -0.267 1.00 0.00 O ATOM 979 CB GLN A 66 0.556 9.273 1.754 1.00 0.00 C ATOM 980 CG GLN A 66 1.054 9.562 3.160 1.00 0.00 C ATOM 981 CD GLN A 66 2.037 10.716 3.205 1.00 0.00 C ATOM 982 OE1 GLN A 66 3.217 10.530 3.500 1.00 0.00 O ATOM 983 NE2 GLN A 66 1.553 11.918 2.912 1.00 0.00 N ATOM 0 H GLN A 66 3.525 8.456 1.038 1.00 0.00 H new ATOM 0 HA GLN A 66 1.644 7.424 1.617 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.501 10.209 1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.458 8.876 1.811 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.204 9.789 3.803 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.530 8.668 3.564 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.567 12.026 2.673 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.167 12.732 2.926 1.00 0.00 H new ATOM 992 N GLY A 67 1.462 7.529 -1.321 1.00 0.00 N ATOM 993 CA GLY A 67 0.868 7.061 -2.559 1.00 0.00 C ATOM 994 C GLY A 67 -0.497 7.670 -2.814 1.00 0.00 C ATOM 995 O GLY A 67 -1.516 7.134 -2.375 1.00 0.00 O ATOM 0 H GLY A 67 2.477 7.625 -1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.531 7.302 -3.390 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.778 5.975 -2.527 1.00 0.00 H new ATOM 999 N HIS A 68 -0.519 8.793 -3.525 1.00 0.00 N ATOM 1000 CA HIS A 68 -1.769 9.476 -3.837 1.00 0.00 C ATOM 1001 C HIS A 68 -2.544 8.725 -4.915 1.00 0.00 C ATOM 1002 O HIS A 68 -3.594 9.180 -5.371 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.492 10.908 -4.295 1.00 0.00 C ATOM 1004 CG HIS A 68 -1.388 11.888 -3.167 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -0.346 11.887 -2.263 1.00 0.00 N ATOM 1006 CD2 HIS A 68 -2.202 12.905 -2.800 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -0.525 12.861 -1.388 1.00 0.00 C ATOM 1008 NE2 HIS A 68 -1.643 13.494 -1.691 1.00 0.00 N ATOM 0 H HIS A 68 0.315 9.249 -3.896 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.375 9.503 -2.931 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.564 10.925 -4.867 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.288 11.225 -4.969 1.00 0.00 H new ATOM 0 HD1 HIS A 68 0.440 11.236 -2.269 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.120 13.199 -3.288 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.132 13.099 -0.565 1.00 0.00 H new ATOM 1017 N LYS A 69 -2.019 7.574 -5.321 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.661 6.759 -6.346 1.00 0.00 C ATOM 1019 C LYS A 69 -2.918 5.346 -5.835 1.00 0.00 C ATOM 1020 O LYS A 69 -2.658 5.040 -4.672 1.00 0.00 O ATOM 1021 CB LYS A 69 -1.791 6.708 -7.604 1.00 0.00 C ATOM 1022 CG LYS A 69 -1.801 7.999 -8.404 1.00 0.00 C ATOM 1023 CD LYS A 69 -2.976 8.050 -9.366 1.00 0.00 C ATOM 1024 CE LYS A 69 -2.907 9.275 -10.265 1.00 0.00 C ATOM 1025 NZ LYS A 69 -4.103 9.386 -11.145 1.00 0.00 N ATOM 0 H LYS A 69 -1.150 7.184 -4.956 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.619 7.217 -6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.765 6.476 -7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.135 5.893 -8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.849 8.849 -7.724 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.869 8.090 -8.962 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.986 7.148 -9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.909 8.063 -8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.824 10.172 -9.651 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.008 9.224 -10.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.017 10.233 -11.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.169 8.542 -11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.959 9.460 -10.559 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.429 4.488 -6.712 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.720 3.106 -6.349 1.00 0.00 C ATOM 1041 C GLN A 70 -2.433 2.313 -6.150 1.00 0.00 C ATOM 1042 O GLN A 70 -2.415 1.304 -5.444 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.581 2.444 -7.425 1.00 0.00 C ATOM 1044 CG GLN A 70 -4.896 0.984 -7.140 1.00 0.00 C ATOM 1045 CD GLN A 70 -5.317 0.224 -8.383 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -5.345 0.777 -9.483 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -5.649 -1.050 -8.213 1.00 0.00 N ATOM 0 H GLN A 70 -3.650 4.725 -7.679 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.270 3.112 -5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.516 2.997 -7.521 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.068 2.516 -8.384 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.018 0.505 -6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.691 0.926 -6.397 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.611 -1.467 -7.283 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.942 -1.612 -9.012 1.00 0.00 H new ATOM 1056 N THR A 71 -1.356 2.774 -6.779 1.00 0.00 N ATOM 1057 CA THR A 71 -0.065 2.107 -6.673 1.00 0.00 C ATOM 1058 C THR A 71 0.986 3.035 -6.075 1.00 0.00 C ATOM 1059 O THR A 71 1.056 4.215 -6.421 1.00 0.00 O ATOM 1060 CB THR A 71 0.426 1.612 -8.047 1.00 0.00 C ATOM 1061 OG1 THR A 71 0.051 2.545 -9.066 1.00 0.00 O ATOM 1062 CG2 THR A 71 -0.155 0.243 -8.367 1.00 0.00 C ATOM 0 H THR A 71 -1.353 3.607 -7.367 1.00 0.00 H new ATOM 0 HA THR A 71 -0.205 1.250 -6.015 1.00 0.00 H new ATOM 0 HB THR A 71 1.512 1.530 -8.013 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.368 2.224 -9.936 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.205 -0.086 -9.342 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.156 -0.471 -7.605 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.243 0.305 -8.384 1.00 0.00 H new ATOM 1070 N LEU A 72 1.802 2.496 -5.176 1.00 0.00 N ATOM 1071 CA LEU A 72 2.851 3.276 -4.530 1.00 0.00 C ATOM 1072 C LEU A 72 4.233 2.786 -4.952 1.00 0.00 C ATOM 1073 O LEU A 72 4.527 1.593 -4.883 1.00 0.00 O ATOM 1074 CB LEU A 72 2.711 3.195 -3.009 1.00 0.00 C ATOM 1075 CG LEU A 72 3.834 3.840 -2.196 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.966 5.314 -2.545 1.00 0.00 C ATOM 1077 CD2 LEU A 72 3.583 3.663 -0.705 1.00 0.00 C ATOM 0 H LEU A 72 1.757 1.522 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 72 2.743 4.314 -4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.769 3.664 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.642 2.145 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 72 4.771 3.343 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.770 5.757 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.193 5.418 -3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.030 5.826 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.392 4.128 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.637 4.134 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.540 2.600 -0.467 1.00 0.00 H new ATOM 1089 N ASN A 73 5.078 3.716 -5.386 1.00 0.00 N ATOM 1090 CA ASN A 73 6.429 3.378 -5.818 1.00 0.00 C ATOM 1091 C ASN A 73 7.469 4.043 -4.920 1.00 0.00 C ATOM 1092 O ASN A 73 7.493 5.266 -4.780 1.00 0.00 O ATOM 1093 CB ASN A 73 6.645 3.807 -7.271 1.00 0.00 C ATOM 1094 CG ASN A 73 5.359 3.797 -8.073 1.00 0.00 C ATOM 1095 OD1 ASN A 73 4.946 4.821 -8.619 1.00 0.00 O ATOM 1096 ND2 ASN A 73 4.717 2.637 -8.149 1.00 0.00 N ATOM 0 H ASN A 73 4.851 4.709 -5.448 1.00 0.00 H new ATOM 0 HA ASN A 73 6.548 2.297 -5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.075 4.808 -7.291 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.368 3.140 -7.740 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.846 2.570 -8.675 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.095 1.813 -7.681 1.00 0.00 H new ATOM 1103 N LEU A 74 8.326 3.229 -4.314 1.00 0.00 N ATOM 1104 CA LEU A 74 9.369 3.737 -3.430 1.00 0.00 C ATOM 1105 C LEU A 74 10.735 3.670 -4.105 1.00 0.00 C ATOM 1106 O LEU A 74 10.933 2.911 -5.054 1.00 0.00 O ATOM 1107 CB LEU A 74 9.392 2.939 -2.125 1.00 0.00 C ATOM 1108 CG LEU A 74 8.461 3.435 -1.018 1.00 0.00 C ATOM 1109 CD1 LEU A 74 7.082 2.809 -1.160 1.00 0.00 C ATOM 1110 CD2 LEU A 74 9.049 3.129 0.351 1.00 0.00 C ATOM 0 H LEU A 74 8.319 2.214 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 74 9.146 4.780 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.136 1.904 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.412 2.938 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 74 8.359 4.516 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.433 3.174 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.657 3.080 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.166 1.724 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.373 3.489 1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.182 2.052 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.014 3.626 0.452 1.00 0.00 H new ATOM 1122 N SER A 75 11.675 4.467 -3.607 1.00 0.00 N ATOM 1123 CA SER A 75 13.023 4.499 -4.162 1.00 0.00 C ATOM 1124 C SER A 75 14.052 4.790 -3.074 1.00 0.00 C ATOM 1125 O SER A 75 13.698 5.048 -1.924 1.00 0.00 O ATOM 1126 CB SER A 75 13.117 5.555 -5.265 1.00 0.00 C ATOM 1127 OG SER A 75 13.032 6.863 -4.728 1.00 0.00 O ATOM 0 H SER A 75 11.528 5.099 -2.820 1.00 0.00 H new ATOM 0 HA SER A 75 13.238 3.519 -4.587 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.058 5.440 -5.803 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.315 5.403 -5.988 1.00 0.00 H new ATOM 0 HG SER A 75 13.096 7.519 -5.453 1.00 0.00 H new ATOM 1133 N GLN A 76 15.327 4.747 -3.448 1.00 0.00 N ATOM 1134 CA GLN A 76 16.408 5.006 -2.505 1.00 0.00 C ATOM 1135 C GLN A 76 16.136 4.328 -1.166 1.00 0.00 C ATOM 1136 O GLN A 76 16.529 4.830 -0.112 1.00 0.00 O ATOM 1137 CB GLN A 76 16.586 6.511 -2.300 1.00 0.00 C ATOM 1138 CG GLN A 76 17.054 7.243 -3.547 1.00 0.00 C ATOM 1139 CD GLN A 76 17.472 8.673 -3.263 1.00 0.00 C ATOM 1140 OE1 GLN A 76 18.661 8.976 -3.161 1.00 0.00 O ATOM 1141 NE2 GLN A 76 16.493 9.561 -3.134 1.00 0.00 N ATOM 0 H GLN A 76 15.636 4.535 -4.397 1.00 0.00 H new ATOM 0 HA GLN A 76 17.326 4.592 -2.922 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.639 6.939 -1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.306 6.678 -1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 76 17.893 6.704 -3.987 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.253 7.243 -4.286 1.00 0.00 H new ATOM 0 HE21 GLN A 76 15.521 9.266 -3.226 1.00 0.00 H new ATOM 0 HE22 GLN A 76 16.713 10.538 -2.943 1.00 0.00 H new ATOM 1150 N LEU A 77 15.462 3.184 -1.214 1.00 0.00 N ATOM 1151 CA LEU A 77 15.137 2.436 -0.005 1.00 0.00 C ATOM 1152 C LEU A 77 16.379 1.765 0.571 1.00 0.00 C ATOM 1153 O LEU A 77 17.116 1.083 -0.142 1.00 0.00 O ATOM 1154 CB LEU A 77 14.067 1.384 -0.304 1.00 0.00 C ATOM 1155 CG LEU A 77 12.643 1.910 -0.492 1.00 0.00 C ATOM 1156 CD1 LEU A 77 11.758 0.841 -1.114 1.00 0.00 C ATOM 1157 CD2 LEU A 77 12.067 2.376 0.836 1.00 0.00 C ATOM 0 H LEU A 77 15.130 2.754 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 77 14.751 3.138 0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.357 0.847 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.061 0.659 0.510 1.00 0.00 H new ATOM 0 HG LEU A 77 12.677 2.764 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.749 1.233 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.161 0.555 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.729 -0.032 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.054 2.747 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.046 1.541 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.688 3.174 1.242 1.00 0.00 H new ATOM 1169 N SER A 78 16.605 1.960 1.866 1.00 0.00 N ATOM 1170 CA SER A 78 17.759 1.375 2.538 1.00 0.00 C ATOM 1171 C SER A 78 17.376 0.079 3.246 1.00 0.00 C ATOM 1172 O SER A 78 16.195 -0.235 3.396 1.00 0.00 O ATOM 1173 CB SER A 78 18.346 2.365 3.545 1.00 0.00 C ATOM 1174 OG SER A 78 18.666 3.597 2.922 1.00 0.00 O ATOM 0 H SER A 78 16.004 2.519 2.471 1.00 0.00 H new ATOM 0 HA SER A 78 18.511 1.148 1.783 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.632 2.536 4.350 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.241 1.940 3.998 1.00 0.00 H new ATOM 0 HG SER A 78 19.038 4.213 3.587 1.00 0.00 H new ATOM 1180 N VAL A 79 18.384 -0.671 3.681 1.00 0.00 N ATOM 1181 CA VAL A 79 18.155 -1.933 4.374 1.00 0.00 C ATOM 1182 C VAL A 79 17.339 -1.721 5.645 1.00 0.00 C ATOM 1183 O VAL A 79 17.698 -0.910 6.498 1.00 0.00 O ATOM 1184 CB VAL A 79 19.483 -2.622 4.739 1.00 0.00 C ATOM 1185 CG1 VAL A 79 19.243 -3.760 5.720 1.00 0.00 C ATOM 1186 CG2 VAL A 79 20.183 -3.127 3.486 1.00 0.00 C ATOM 0 H VAL A 79 19.367 -0.426 3.565 1.00 0.00 H new ATOM 0 HA VAL A 79 17.598 -2.574 3.690 1.00 0.00 H new ATOM 0 HB VAL A 79 20.131 -1.890 5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 79 20.193 -4.235 5.966 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.788 -3.367 6.629 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.576 -4.495 5.269 1.00 0.00 H new ATOM 0 HG21 VAL A 79 21.120 -3.611 3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.541 -3.844 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 79 20.391 -2.288 2.822 1.00 0.00 H new ATOM 1196 N GLY A 80 16.238 -2.458 5.764 1.00 0.00 N ATOM 1197 CA GLY A 80 15.388 -2.336 6.934 1.00 0.00 C ATOM 1198 C GLY A 80 13.968 -2.796 6.669 1.00 0.00 C ATOM 1199 O GLY A 80 13.620 -3.139 5.539 1.00 0.00 O ATOM 0 H GLY A 80 15.920 -3.136 5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.811 -2.923 7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.375 -1.297 7.263 1.00 0.00 H new ATOM 1203 N LEU A 81 13.146 -2.804 7.713 1.00 0.00 N ATOM 1204 CA LEU A 81 11.756 -3.226 7.588 1.00 0.00 C ATOM 1205 C LEU A 81 10.832 -2.022 7.440 1.00 0.00 C ATOM 1206 O LEU A 81 10.953 -1.039 8.172 1.00 0.00 O ATOM 1207 CB LEU A 81 11.342 -4.054 8.807 1.00 0.00 C ATOM 1208 CG LEU A 81 9.862 -4.427 8.893 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.525 -5.512 7.882 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.508 -4.881 10.302 1.00 0.00 C ATOM 0 H LEU A 81 13.418 -2.523 8.655 1.00 0.00 H new ATOM 0 HA LEU A 81 11.668 -3.840 6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.929 -4.973 8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.609 -3.499 9.706 1.00 0.00 H new ATOM 0 HG LEU A 81 9.270 -3.543 8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.467 -5.764 7.958 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.741 -5.152 6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.125 -6.399 8.086 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.451 -5.143 10.345 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.108 -5.752 10.565 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.711 -4.074 11.006 1.00 0.00 H new ATOM 1222 N TYR A 82 9.907 -2.105 6.490 1.00 0.00 N ATOM 1223 CA TYR A 82 8.962 -1.022 6.245 1.00 0.00 C ATOM 1224 C TYR A 82 7.535 -1.553 6.157 1.00 0.00 C ATOM 1225 O TYR A 82 7.297 -2.645 5.640 1.00 0.00 O ATOM 1226 CB TYR A 82 9.324 -0.283 4.956 1.00 0.00 C ATOM 1227 CG TYR A 82 10.765 0.172 4.902 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.176 1.322 5.565 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.715 -0.548 4.189 1.00 0.00 C ATOM 1230 CE1 TYR A 82 12.491 1.742 5.517 1.00 0.00 C ATOM 1231 CE2 TYR A 82 13.033 -0.137 4.138 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.416 1.009 4.803 1.00 0.00 C ATOM 1233 OH TYR A 82 14.727 1.424 4.755 1.00 0.00 O ATOM 0 H TYR A 82 9.792 -2.912 5.877 1.00 0.00 H new ATOM 0 HA TYR A 82 9.020 -0.327 7.083 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.126 -0.935 4.105 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.674 0.585 4.850 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.455 1.897 6.127 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.418 -1.445 3.665 1.00 0.00 H new ATOM 0 HE1 TYR A 82 12.793 2.640 6.036 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.759 -0.710 3.581 1.00 0.00 H new ATOM 0 HH TYR A 82 15.296 0.678 4.471 1.00 0.00 H new ATOM 1243 N VAL A 83 6.587 -0.773 6.667 1.00 0.00 N ATOM 1244 CA VAL A 83 5.183 -1.162 6.645 1.00 0.00 C ATOM 1245 C VAL A 83 4.304 -0.022 6.143 1.00 0.00 C ATOM 1246 O VAL A 83 4.151 0.999 6.814 1.00 0.00 O ATOM 1247 CB VAL A 83 4.698 -1.592 8.043 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.321 -2.233 7.956 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.698 -2.542 8.684 1.00 0.00 C ATOM 0 H VAL A 83 6.767 0.133 7.101 1.00 0.00 H new ATOM 0 HA VAL A 83 5.100 -2.008 5.963 1.00 0.00 H new ATOM 0 HB VAL A 83 4.620 -0.705 8.671 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.994 -2.530 8.953 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.612 -1.517 7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.369 -3.112 7.313 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.340 -2.836 9.671 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.809 -3.429 8.060 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.662 -2.043 8.782 1.00 0.00 H new ATOM 1259 N PHE A 84 3.728 -0.203 4.960 1.00 0.00 N ATOM 1260 CA PHE A 84 2.864 0.811 4.367 1.00 0.00 C ATOM 1261 C PHE A 84 1.394 0.433 4.525 1.00 0.00 C ATOM 1262 O PHE A 84 0.941 -0.582 3.995 1.00 0.00 O ATOM 1263 CB PHE A 84 3.199 0.993 2.885 1.00 0.00 C ATOM 1264 CG PHE A 84 4.669 0.919 2.589 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.518 1.948 2.966 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.204 -0.179 1.935 1.00 0.00 C ATOM 1267 CE1 PHE A 84 6.871 1.883 2.694 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.556 -0.250 1.661 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.391 0.782 2.042 1.00 0.00 C ATOM 0 H PHE A 84 3.844 -1.043 4.393 1.00 0.00 H new ATOM 0 HA PHE A 84 3.037 1.752 4.890 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.681 0.227 2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.817 1.958 2.550 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.117 2.810 3.478 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.556 -0.989 1.636 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.521 2.692 2.991 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.960 -1.111 1.150 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.449 0.728 1.830 1.00 0.00 H new ATOM 1279 N LYS A 85 0.653 1.257 5.258 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.766 1.012 5.487 1.00 0.00 C ATOM 1281 C LYS A 85 -1.623 1.889 4.579 1.00 0.00 C ATOM 1282 O LYS A 85 -1.700 3.103 4.765 1.00 0.00 O ATOM 1283 CB LYS A 85 -1.120 1.277 6.952 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.615 1.290 7.223 1.00 0.00 C ATOM 1285 CD LYS A 85 -2.920 1.733 8.644 1.00 0.00 C ATOM 1286 CE LYS A 85 -2.804 3.242 8.794 1.00 0.00 C ATOM 1287 NZ LYS A 85 -2.680 3.650 10.221 1.00 0.00 N ATOM 0 H LYS A 85 1.012 2.101 5.704 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.971 -0.033 5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.653 0.513 7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.696 2.235 7.252 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.108 1.960 6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.025 0.294 7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.926 1.415 8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.233 1.244 9.334 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.936 3.596 8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.680 3.719 8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.435 4.659 10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.584 3.488 10.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.934 3.088 10.679 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.266 1.266 3.597 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.120 1.989 2.662 1.00 0.00 C ATOM 1303 C VAL A 86 -4.559 2.043 3.161 1.00 0.00 C ATOM 1304 O VAL A 86 -5.279 1.044 3.124 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.096 1.342 1.264 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.614 -0.087 1.329 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -3.910 2.169 0.281 1.00 0.00 C ATOM 0 H VAL A 86 -2.212 0.262 3.428 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.725 3.003 2.592 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.065 1.314 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.590 -0.528 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.985 -0.672 2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.639 -0.086 1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.882 1.698 -0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.942 2.231 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.489 3.172 0.214 1.00 0.00 H new ATOM 1317 N THR A 87 -4.975 3.216 3.628 1.00 0.00 N ATOM 1318 CA THR A 87 -6.328 3.401 4.135 1.00 0.00 C ATOM 1319 C THR A 87 -7.270 3.867 3.031 1.00 0.00 C ATOM 1320 O THR A 87 -7.206 5.014 2.590 1.00 0.00 O ATOM 1321 CB THR A 87 -6.362 4.422 5.288 1.00 0.00 C ATOM 1322 OG1 THR A 87 -5.163 4.323 6.065 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.572 4.191 6.180 1.00 0.00 C ATOM 0 H THR A 87 -4.393 4.053 3.665 1.00 0.00 H new ATOM 0 HA THR A 87 -6.660 2.432 4.508 1.00 0.00 H new ATOM 0 HB THR A 87 -6.434 5.421 4.858 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.191 4.976 6.795 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.574 4.924 6.987 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.483 4.296 5.591 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.527 3.187 6.602 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.146 2.970 2.589 1.00 0.00 N ATOM 1332 CA VAL A 88 -9.103 3.290 1.536 1.00 0.00 C ATOM 1333 C VAL A 88 -10.530 3.288 2.073 1.00 0.00 C ATOM 1334 O VAL A 88 -11.047 2.251 2.487 1.00 0.00 O ATOM 1335 CB VAL A 88 -9.005 2.293 0.366 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -10.013 2.642 -0.718 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.592 2.269 -0.196 1.00 0.00 C ATOM 0 H VAL A 88 -8.213 2.016 2.944 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.855 4.288 1.174 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.240 1.296 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.929 1.927 -1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.021 2.603 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.813 3.646 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.541 1.559 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.326 3.263 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.895 1.967 0.585 1.00 0.00 H new ATOM 1347 N SER A 89 -11.162 4.457 2.062 1.00 0.00 N ATOM 1348 CA SER A 89 -12.529 4.592 2.550 1.00 0.00 C ATOM 1349 C SER A 89 -13.336 5.528 1.655 1.00 0.00 C ATOM 1350 O SER A 89 -12.814 6.518 1.143 1.00 0.00 O ATOM 1351 CB SER A 89 -12.530 5.116 3.988 1.00 0.00 C ATOM 1352 OG SER A 89 -12.050 6.448 4.045 1.00 0.00 O ATOM 0 H SER A 89 -10.749 5.325 1.720 1.00 0.00 H new ATOM 0 HA SER A 89 -12.995 3.607 2.529 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.541 5.073 4.394 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.908 4.475 4.613 1.00 0.00 H new ATOM 0 HG SER A 89 -12.062 6.761 4.974 1.00 0.00 H new ATOM 1358 N SER A 90 -14.613 5.206 1.472 1.00 0.00 N ATOM 1359 CA SER A 90 -15.492 6.014 0.636 1.00 0.00 C ATOM 1360 C SER A 90 -16.562 6.702 1.479 1.00 0.00 C ATOM 1361 O SER A 90 -16.560 6.601 2.705 1.00 0.00 O ATOM 1362 CB SER A 90 -16.153 5.145 -0.436 1.00 0.00 C ATOM 1363 OG SER A 90 -16.585 5.931 -1.534 1.00 0.00 O ATOM 0 H SER A 90 -15.061 4.391 1.892 1.00 0.00 H new ATOM 0 HA SER A 90 -14.887 6.780 0.151 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.448 4.389 -0.781 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.004 4.616 -0.006 1.00 0.00 H new ATOM 0 HG SER A 90 -17.002 5.353 -2.206 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.474 7.402 0.811 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.549 8.107 1.498 1.00 0.00 C ATOM 1371 C GLU A 91 -19.332 7.158 2.401 1.00 0.00 C ATOM 1372 O GLU A 91 -19.664 7.497 3.536 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.492 8.759 0.484 1.00 0.00 C ATOM 1374 CG GLU A 91 -20.065 7.782 -0.529 1.00 0.00 C ATOM 1375 CD GLU A 91 -20.754 8.479 -1.686 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -21.691 9.265 -1.433 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -20.355 8.239 -2.845 1.00 0.00 O ATOM 0 H GLU A 91 -17.489 7.496 -0.205 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.101 8.884 2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.312 9.238 1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.955 9.546 -0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.263 7.152 -0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.776 7.123 -0.031 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.625 5.968 1.887 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.370 4.970 2.645 1.00 0.00 C ATOM 1386 C ASN A 92 -19.581 3.669 2.753 1.00 0.00 C ATOM 1387 O ASN A 92 -20.154 2.580 2.733 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.724 4.704 1.985 1.00 0.00 C ATOM 1389 CG ASN A 92 -22.673 3.949 2.896 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -23.368 4.545 3.718 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -22.706 2.629 2.752 1.00 0.00 N ATOM 0 H ASN A 92 -19.358 5.671 0.948 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.533 5.360 3.650 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -22.178 5.653 1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -21.573 4.133 1.069 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -23.325 2.068 3.336 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -22.112 2.177 2.057 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.262 3.790 2.869 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.395 2.625 2.984 1.00 0.00 C ATOM 1400 C ALA A 93 -16.063 2.993 3.628 1.00 0.00 C ATOM 1401 O ALA A 93 -15.629 4.144 3.567 1.00 0.00 O ATOM 1402 CB ALA A 93 -17.167 2.000 1.615 1.00 0.00 C ATOM 0 H ALA A 93 -17.771 4.684 2.886 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.890 1.897 3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.517 1.130 1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -18.123 1.692 1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.697 2.730 0.956 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.417 2.009 4.246 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.135 2.231 4.903 1.00 0.00 C ATOM 1410 C PHE A 94 -13.295 0.957 4.900 1.00 0.00 C ATOM 1411 O PHE A 94 -13.810 -0.140 5.112 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.350 2.710 6.340 1.00 0.00 C ATOM 1413 CG PHE A 94 -13.086 2.762 7.150 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -12.665 1.657 7.872 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -12.320 3.916 7.190 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -11.503 1.702 8.619 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -11.157 3.967 7.935 1.00 0.00 C ATOM 1418 CZ PHE A 94 -10.747 2.858 8.650 1.00 0.00 C ATOM 0 H PHE A 94 -15.761 1.051 4.305 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.599 3.001 4.348 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.800 3.702 6.320 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.061 2.047 6.833 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -13.251 0.750 7.851 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.635 4.786 6.633 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -11.186 0.834 9.178 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.569 4.873 7.958 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.838 2.895 9.232 1.00 0.00 H new ATOM 1428 N GLY A 95 -11.997 1.111 4.658 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.106 -0.034 4.631 1.00 0.00 C ATOM 1430 C GLY A 95 -9.691 0.322 5.042 1.00 0.00 C ATOM 1431 O GLY A 95 -9.359 1.498 5.190 1.00 0.00 O ATOM 0 H GLY A 95 -11.546 2.009 4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.491 -0.806 5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.094 -0.457 3.627 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.856 -0.696 5.229 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.470 -0.483 5.628 1.00 0.00 C ATOM 1437 C GLU A 96 -6.589 -1.643 5.175 1.00 0.00 C ATOM 1438 O GLU A 96 -6.960 -2.808 5.310 1.00 0.00 O ATOM 1439 CB GLU A 96 -7.374 -0.317 7.146 1.00 0.00 C ATOM 1440 CG GLU A 96 -8.189 0.846 7.685 1.00 0.00 C ATOM 1441 CD GLU A 96 -7.756 1.269 9.075 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -7.697 0.399 9.969 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -7.475 2.471 9.269 1.00 0.00 O ATOM 0 H GLU A 96 -9.115 -1.675 5.111 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.116 0.428 5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.709 -1.237 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.329 -0.176 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.097 1.694 7.006 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.243 0.567 7.706 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.418 -1.315 4.637 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.503 -2.340 4.171 1.00 0.00 C ATOM 1452 C GLY A 97 -3.165 -2.288 4.882 1.00 0.00 C ATOM 1453 O GLY A 97 -2.797 -1.262 5.454 1.00 0.00 O ATOM 0 H GLY A 97 -5.087 -0.358 4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.954 -3.321 4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.346 -2.223 3.099 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.436 -3.399 4.849 1.00 0.00 N ATOM 1458 CA PHE A 98 -1.133 -3.478 5.499 1.00 0.00 C ATOM 1459 C PHE A 98 -0.183 -4.372 4.706 1.00 0.00 C ATOM 1460 O PHE A 98 -0.469 -5.546 4.472 1.00 0.00 O ATOM 1461 CB PHE A 98 -1.281 -4.010 6.925 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.749 -2.974 7.906 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -3.080 -2.593 7.951 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -0.857 -2.380 8.785 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -3.513 -1.639 8.852 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -1.283 -1.425 9.689 1.00 0.00 C ATOM 1467 CZ PHE A 98 -2.613 -1.055 9.723 1.00 0.00 C ATOM 0 H PHE A 98 -2.726 -4.257 4.379 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.712 -2.473 5.536 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.986 -4.841 6.923 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.322 -4.407 7.258 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.788 -3.047 7.274 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.184 -2.667 8.763 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.553 -1.350 8.875 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.577 -0.969 10.367 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.949 -0.310 10.429 1.00 0.00 H new ATOM 1477 N VAL A 99 0.948 -3.807 4.295 1.00 0.00 N ATOM 1478 CA VAL A 99 1.940 -4.552 3.530 1.00 0.00 C ATOM 1479 C VAL A 99 3.354 -4.224 3.997 1.00 0.00 C ATOM 1480 O VAL A 99 3.771 -3.067 3.981 1.00 0.00 O ATOM 1481 CB VAL A 99 1.827 -4.252 2.023 1.00 0.00 C ATOM 1482 CG1 VAL A 99 2.360 -2.862 1.713 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.565 -5.308 1.214 1.00 0.00 C ATOM 0 H VAL A 99 1.200 -2.836 4.479 1.00 0.00 H new ATOM 0 HA VAL A 99 1.741 -5.610 3.699 1.00 0.00 H new ATOM 0 HB VAL A 99 0.774 -4.281 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.272 -2.669 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.783 -2.120 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.408 -2.800 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.475 -5.081 0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.618 -5.313 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.132 -6.288 1.414 1.00 0.00 H new ATOM 1493 N ASN A 100 4.087 -5.252 4.412 1.00 0.00 N ATOM 1494 CA ASN A 100 5.455 -5.073 4.884 1.00 0.00 C ATOM 1495 C ASN A 100 6.458 -5.391 3.778 1.00 0.00 C ATOM 1496 O ASN A 100 6.305 -6.370 3.048 1.00 0.00 O ATOM 1497 CB ASN A 100 5.719 -5.966 6.098 1.00 0.00 C ATOM 1498 CG ASN A 100 4.757 -5.690 7.238 1.00 0.00 C ATOM 1499 OD1 ASN A 100 3.585 -5.389 7.016 1.00 0.00 O ATOM 1500 ND2 ASN A 100 5.252 -5.792 8.466 1.00 0.00 N ATOM 0 H ASN A 100 3.757 -6.217 4.431 1.00 0.00 H new ATOM 0 HA ASN A 100 5.579 -4.030 5.175 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.636 -7.012 5.801 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.741 -5.812 6.443 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.653 -5.618 9.273 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.231 -6.045 8.602 1.00 0.00 H new ATOM 1507 N VAL A 101 7.485 -4.555 3.661 1.00 0.00 N ATOM 1508 CA VAL A 101 8.515 -4.747 2.647 1.00 0.00 C ATOM 1509 C VAL A 101 9.907 -4.736 3.267 1.00 0.00 C ATOM 1510 O VAL A 101 10.284 -3.788 3.958 1.00 0.00 O ATOM 1511 CB VAL A 101 8.440 -3.658 1.559 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.528 -3.869 0.517 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.064 -3.647 0.911 1.00 0.00 C ATOM 0 H VAL A 101 7.626 -3.738 4.256 1.00 0.00 H new ATOM 0 HA VAL A 101 8.333 -5.720 2.191 1.00 0.00 H new ATOM 0 HB VAL A 101 8.603 -2.688 2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.460 -3.091 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.505 -3.822 0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.400 -4.845 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.029 -2.872 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.869 -4.617 0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.307 -3.444 1.668 1.00 0.00 H new ATOM 1523 N THR A 102 10.670 -5.796 3.016 1.00 0.00 N ATOM 1524 CA THR A 102 12.021 -5.909 3.551 1.00 0.00 C ATOM 1525 C THR A 102 13.063 -5.658 2.467 1.00 0.00 C ATOM 1526 O THR A 102 12.904 -6.092 1.326 1.00 0.00 O ATOM 1527 CB THR A 102 12.265 -7.298 4.171 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.280 -7.566 5.174 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.655 -7.380 4.783 1.00 0.00 C ATOM 0 H THR A 102 10.375 -6.588 2.445 1.00 0.00 H new ATOM 0 HA THR A 102 12.119 -5.151 4.328 1.00 0.00 H new ATOM 0 HB THR A 102 12.189 -8.044 3.380 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.441 -8.451 5.562 1.00 0.00 H new ATOM 0 HG21 THR A 102 13.805 -8.370 5.215 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.404 -7.204 4.011 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.754 -6.625 5.563 1.00 0.00 H new ATOM 1537 N VAL A 103 14.131 -4.955 2.831 1.00 0.00 N ATOM 1538 CA VAL A 103 15.202 -4.648 1.890 1.00 0.00 C ATOM 1539 C VAL A 103 16.504 -5.325 2.300 1.00 0.00 C ATOM 1540 O VAL A 103 17.231 -4.830 3.161 1.00 0.00 O ATOM 1541 CB VAL A 103 15.437 -3.129 1.784 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.558 -2.830 0.801 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.155 -2.419 1.376 1.00 0.00 C ATOM 0 H VAL A 103 14.278 -4.587 3.771 1.00 0.00 H new ATOM 0 HA VAL A 103 14.889 -5.029 0.918 1.00 0.00 H new ATOM 0 HB VAL A 103 15.736 -2.756 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.710 -1.752 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.477 -3.307 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.292 -3.216 -0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.339 -1.347 1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 103 13.824 -2.794 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.382 -2.606 2.122 1.00 0.00 H new ATOM 1553 N LYS A 104 16.795 -6.462 1.676 1.00 0.00 N ATOM 1554 CA LYS A 104 18.012 -7.209 1.972 1.00 0.00 C ATOM 1555 C LYS A 104 19.241 -6.479 1.442 1.00 0.00 C ATOM 1556 O LYS A 104 19.172 -5.717 0.477 1.00 0.00 O ATOM 1557 CB LYS A 104 17.935 -8.611 1.363 1.00 0.00 C ATOM 1558 CG LYS A 104 16.767 -9.434 1.877 1.00 0.00 C ATOM 1559 CD LYS A 104 17.148 -10.233 3.113 1.00 0.00 C ATOM 1560 CE LYS A 104 15.933 -10.894 3.745 1.00 0.00 C ATOM 1561 NZ LYS A 104 15.288 -10.015 4.759 1.00 0.00 N ATOM 0 H LYS A 104 16.204 -6.886 0.961 1.00 0.00 H new ATOM 0 HA LYS A 104 18.102 -7.295 3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.858 -8.523 0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.863 -9.141 1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 104 15.932 -8.774 2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.427 -10.113 1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.879 -10.995 2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.625 -9.576 3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.210 -11.143 2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.232 -11.831 4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.543 -10.340 5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.614 -9.036 4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.255 -10.054 4.645 1.00 0.00 H new ATOM 1575 N PRO A 105 20.395 -6.716 2.084 1.00 0.00 N ATOM 1576 CA PRO A 105 21.662 -6.092 1.692 1.00 0.00 C ATOM 1577 C PRO A 105 22.181 -6.621 0.360 1.00 0.00 C ATOM 1578 O PRO A 105 21.809 -7.711 -0.073 1.00 0.00 O ATOM 1579 CB PRO A 105 22.613 -6.477 2.828 1.00 0.00 C ATOM 1580 CG PRO A 105 22.042 -7.733 3.391 1.00 0.00 C ATOM 1581 CD PRO A 105 20.550 -7.613 3.242 1.00 0.00 C ATOM 0 HA PRO A 105 21.560 -5.016 1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.627 -6.633 2.460 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.666 -5.693 3.583 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.418 -8.606 2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.321 -7.854 4.438 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.084 -8.582 3.065 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.089 -7.197 4.138 1.00 0.00 H new ATOM 1589 N ALA A 106 23.044 -5.843 -0.285 1.00 0.00 N ATOM 1590 CA ALA A 106 23.616 -6.235 -1.567 1.00 0.00 C ATOM 1591 C ALA A 106 24.384 -7.547 -1.447 1.00 0.00 C ATOM 1592 O ALA A 106 25.471 -7.591 -0.871 1.00 0.00 O ATOM 1593 CB ALA A 106 24.526 -5.136 -2.097 1.00 0.00 C ATOM 0 H ALA A 106 23.362 -4.937 0.060 1.00 0.00 H new ATOM 0 HA ALA A 106 22.798 -6.386 -2.271 1.00 0.00 H new ATOM 0 HB1 ALA A 106 24.946 -5.442 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 106 23.951 -4.220 -2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.333 -4.958 -1.387 1.00 0.00 H new