USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 875 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 54 SER OG : rot 31:sc= 0.193 USER MOD Set 1.2: A 71 ASN : amide:sc= -0.0546 X(o=0.14,f=0.1) USER MOD Set 2.1: A 58 THR OG1 : rot -82:sc= 0.446 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -4.65! C(o=-4.2!,f=-5.9!) USER MOD Set 3.1: A 23 TYR OH : rot -91:sc= 0.146 USER MOD Set 3.2: A 34 MET CE :methyl -105:sc= -4.62! (180deg=-9.38!) USER MOD Single : A 14 ASN :FLIP amide:sc= 0.918 F(o=-0.087,f=0.92) USER MOD Single : A 16 HIS : no HE2:sc= -1.86 X(o=-1.9,f=-2) USER MOD Single : A 18 SER OG : rot -69:sc= 1.18 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= 0.027 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -2.71 F(o=-3.7!,f=-2.7) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 63:sc= 0.72 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 100:sc= -0.652 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 165:sc= -0.547 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot 30:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -112:sc= -0.202 (180deg=-1.77) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc=-0.00639 USER MOD Single : A 118 TYR OH : rot 180:sc=-0.00894 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N ASN A 14 -2.770 -10.029 -8.637 1.00 0.00 N ATOM 151 CA ASN A 14 -2.358 -8.946 -7.751 1.00 0.00 C ATOM 152 C ASN A 14 -2.032 -7.686 -8.548 1.00 0.00 C ATOM 153 O ASN A 14 -0.878 -7.408 -8.872 1.00 0.00 O ATOM 154 CB ASN A 14 -1.142 -9.369 -6.925 1.00 0.00 C ATOM 155 CG ASN A 14 -0.167 -10.214 -7.723 1.00 0.00 C ATOM 156 OD1 ASN A 14 -0.092 -11.499 -7.396 1.00 0.00 O flip ATOM 157 ND2 ASN A 14 0.510 -9.717 -8.623 1.00 0.00 N flip ATOM 0 HA ASN A 14 -3.187 -8.725 -7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.630 -8.480 -6.555 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.476 -9.931 -6.053 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.420 -8.724 -8.840 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.161 -10.298 -9.151 1.00 0.00 H new ATOM 164 N PRO A 15 -3.073 -6.904 -8.870 1.00 0.00 N ATOM 165 CA PRO A 15 -2.923 -5.660 -9.631 1.00 0.00 C ATOM 166 C PRO A 15 -2.227 -4.568 -8.826 1.00 0.00 C ATOM 167 O PRO A 15 -1.267 -3.955 -9.293 1.00 0.00 O ATOM 168 CB PRO A 15 -4.367 -5.258 -9.942 1.00 0.00 C ATOM 169 CG PRO A 15 -5.177 -5.888 -8.861 1.00 0.00 C ATOM 170 CD PRO A 15 -4.477 -7.174 -8.517 1.00 0.00 C ATOM 0 HA PRO A 15 -2.304 -5.797 -10.518 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.484 -4.174 -9.944 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.674 -5.614 -10.925 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.243 -5.234 -7.991 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.197 -6.076 -9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.585 -7.420 -7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.879 -8.014 -9.083 1.00 0.00 H new ATOM 178 N HIS A 16 -2.717 -4.330 -7.614 1.00 0.00 N ATOM 179 CA HIS A 16 -2.140 -3.312 -6.743 1.00 0.00 C ATOM 180 C HIS A 16 -0.620 -3.434 -6.697 1.00 0.00 C ATOM 181 O HIS A 16 0.093 -2.433 -6.750 1.00 0.00 O ATOM 182 CB HIS A 16 -2.716 -3.433 -5.331 1.00 0.00 C ATOM 183 CG HIS A 16 -2.930 -4.848 -4.891 1.00 0.00 C ATOM 184 ND1 HIS A 16 -1.992 -5.564 -4.177 1.00 0.00 N ATOM 185 CD2 HIS A 16 -3.983 -5.680 -5.065 1.00 0.00 C ATOM 186 CE1 HIS A 16 -2.459 -6.775 -3.933 1.00 0.00 C ATOM 187 NE2 HIS A 16 -3.666 -6.871 -4.461 1.00 0.00 N ATOM 0 H HIS A 16 -3.512 -4.828 -7.213 1.00 0.00 H new ATOM 0 HA HIS A 16 -2.396 -2.334 -7.150 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -2.043 -2.941 -4.629 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -3.666 -2.900 -5.288 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -1.080 -5.213 -3.883 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -4.902 -5.450 -5.583 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -1.942 -7.555 -3.393 1.00 0.00 H new ATOM 196 N GLU A 17 -0.133 -4.666 -6.598 1.00 0.00 N ATOM 197 CA GLU A 17 1.303 -4.917 -6.543 1.00 0.00 C ATOM 198 C GLU A 17 2.048 -4.032 -7.538 1.00 0.00 C ATOM 199 O GLU A 17 3.083 -3.450 -7.213 1.00 0.00 O ATOM 200 CB GLU A 17 1.597 -6.390 -6.835 1.00 0.00 C ATOM 201 CG GLU A 17 2.801 -6.931 -6.082 1.00 0.00 C ATOM 202 CD GLU A 17 3.516 -8.033 -6.840 1.00 0.00 C ATOM 203 OE1 GLU A 17 4.225 -7.718 -7.818 1.00 0.00 O ATOM 204 OE2 GLU A 17 3.365 -9.212 -6.454 1.00 0.00 O ATOM 0 H GLU A 17 -0.710 -5.506 -6.554 1.00 0.00 H new ATOM 0 HA GLU A 17 1.650 -4.677 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.721 -6.985 -6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.763 -6.514 -7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.499 -6.117 -5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.478 -7.312 -5.113 1.00 0.00 H new ATOM 211 N SER A 18 1.514 -3.936 -8.751 1.00 0.00 N ATOM 212 CA SER A 18 2.130 -3.126 -9.795 1.00 0.00 C ATOM 213 C SER A 18 1.972 -1.639 -9.493 1.00 0.00 C ATOM 214 O SER A 18 2.926 -0.867 -9.594 1.00 0.00 O ATOM 215 CB SER A 18 1.510 -3.451 -11.155 1.00 0.00 C ATOM 216 OG SER A 18 0.165 -3.008 -11.221 1.00 0.00 O ATOM 0 H SER A 18 0.656 -4.409 -9.035 1.00 0.00 H new ATOM 0 HA SER A 18 3.194 -3.362 -9.823 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.092 -2.977 -11.946 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.551 -4.526 -11.329 1.00 0.00 H new ATOM 0 HG SER A 18 -0.389 -3.553 -10.623 1.00 0.00 H new ATOM 222 N LYS A 19 0.759 -1.243 -9.122 1.00 0.00 N ATOM 223 CA LYS A 19 0.472 0.151 -8.804 1.00 0.00 C ATOM 224 C LYS A 19 1.676 0.817 -8.145 1.00 0.00 C ATOM 225 O LYS A 19 2.407 0.204 -7.367 1.00 0.00 O ATOM 226 CB LYS A 19 -0.745 0.244 -7.880 1.00 0.00 C ATOM 227 CG LYS A 19 -2.024 -0.285 -8.504 1.00 0.00 C ATOM 228 CD LYS A 19 -2.471 0.575 -9.675 1.00 0.00 C ATOM 229 CE LYS A 19 -3.755 0.047 -10.296 1.00 0.00 C ATOM 230 NZ LYS A 19 -3.943 0.542 -11.688 1.00 0.00 N ATOM 0 H LYS A 19 -0.042 -1.869 -9.034 1.00 0.00 H new ATOM 0 HA LYS A 19 0.254 0.674 -9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.540 -0.312 -6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.894 1.285 -7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.868 -1.309 -8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.812 -0.314 -7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.624 1.600 -9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.685 0.601 -10.429 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.736 -1.043 -10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.605 0.350 -9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.829 0.160 -12.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.987 1.581 -11.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.145 0.231 -12.278 1.00 0.00 H new ATOM 244 N PRO A 20 1.888 2.103 -8.461 1.00 0.00 N ATOM 245 CA PRO A 20 3.001 2.881 -7.909 1.00 0.00 C ATOM 246 C PRO A 20 2.823 3.174 -6.424 1.00 0.00 C ATOM 247 O PRO A 20 3.799 3.279 -5.681 1.00 0.00 O ATOM 248 CB PRO A 20 2.962 4.179 -8.719 1.00 0.00 C ATOM 249 CG PRO A 20 1.548 4.303 -9.170 1.00 0.00 C ATOM 250 CD PRO A 20 1.057 2.897 -9.382 1.00 0.00 C ATOM 0 HA PRO A 20 3.948 2.346 -7.981 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.260 5.034 -8.112 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.646 4.137 -9.567 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.944 4.819 -8.424 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.481 4.883 -10.091 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.004 2.802 -9.149 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.186 2.578 -10.416 1.00 0.00 H new ATOM 258 N TRP A 21 1.572 3.304 -5.997 1.00 0.00 N ATOM 259 CA TRP A 21 1.267 3.585 -4.599 1.00 0.00 C ATOM 260 C TRP A 21 1.265 2.302 -3.774 1.00 0.00 C ATOM 261 O TRP A 21 0.708 2.260 -2.677 1.00 0.00 O ATOM 262 CB TRP A 21 -0.089 4.283 -4.481 1.00 0.00 C ATOM 263 CG TRP A 21 -1.142 3.688 -5.367 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.534 4.143 -6.594 1.00 0.00 C ATOM 265 CD2 TRP A 21 -1.938 2.530 -5.093 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.526 3.338 -7.099 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.792 2.341 -6.198 1.00 0.00 C ATOM 268 CE3 TRP A 21 -2.012 1.634 -4.023 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.706 1.293 -6.260 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -2.921 0.595 -4.087 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.757 0.431 -5.199 1.00 0.00 C ATOM 0 H TRP A 21 0.753 3.219 -6.599 1.00 0.00 H new ATOM 0 HA TRP A 21 2.042 4.245 -4.210 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.426 4.235 -3.445 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.030 5.338 -4.728 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.124 5.008 -7.094 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -2.989 3.462 -7.999 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.371 1.751 -3.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.352 1.165 -7.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -2.988 -0.103 -3.265 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.456 -0.392 -5.219 1.00 0.00 H new ATOM 282 N TYR A 22 1.891 1.260 -4.309 1.00 0.00 N ATOM 283 CA TYR A 22 1.959 -0.025 -3.622 1.00 0.00 C ATOM 284 C TYR A 22 3.348 -0.255 -3.033 1.00 0.00 C ATOM 285 O TYR A 22 4.347 0.231 -3.563 1.00 0.00 O ATOM 286 CB TYR A 22 1.606 -1.160 -4.584 1.00 0.00 C ATOM 287 CG TYR A 22 1.846 -2.538 -4.009 1.00 0.00 C ATOM 288 CD1 TYR A 22 3.076 -3.168 -4.153 1.00 0.00 C ATOM 289 CD2 TYR A 22 0.843 -3.209 -3.321 1.00 0.00 C ATOM 290 CE1 TYR A 22 3.300 -4.427 -3.629 1.00 0.00 C ATOM 291 CE2 TYR A 22 1.058 -4.468 -2.793 1.00 0.00 C ATOM 292 CZ TYR A 22 2.288 -5.072 -2.950 1.00 0.00 C ATOM 293 OH TYR A 22 2.507 -6.326 -2.426 1.00 0.00 O ATOM 0 H TYR A 22 2.358 1.279 -5.215 1.00 0.00 H new ATOM 0 HA TYR A 22 1.236 -0.011 -2.806 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.557 -1.072 -4.868 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.193 -1.048 -5.495 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.871 -2.665 -4.684 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.121 -2.739 -3.197 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.262 -4.903 -3.751 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.267 -4.976 -2.261 1.00 0.00 H new ATOM 0 HH TYR A 22 1.694 -6.640 -1.978 1.00 0.00 H new ATOM 303 N TYR A 23 3.401 -0.999 -1.935 1.00 0.00 N ATOM 304 CA TYR A 23 4.666 -1.293 -1.272 1.00 0.00 C ATOM 305 C TYR A 23 4.666 -2.708 -0.701 1.00 0.00 C ATOM 306 O TYR A 23 3.644 -3.195 -0.217 1.00 0.00 O ATOM 307 CB TYR A 23 4.928 -0.282 -0.155 1.00 0.00 C ATOM 308 CG TYR A 23 5.270 1.102 -0.659 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.536 1.388 -1.157 1.00 0.00 C ATOM 310 CD2 TYR A 23 4.329 2.124 -0.637 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.854 2.650 -1.618 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.638 3.389 -1.098 1.00 0.00 C ATOM 313 CZ TYR A 23 5.901 3.647 -1.587 1.00 0.00 C ATOM 314 OH TYR A 23 6.213 4.907 -2.045 1.00 0.00 O ATOM 0 H TYR A 23 2.583 -1.410 -1.485 1.00 0.00 H new ATOM 0 HA TYR A 23 5.461 -1.219 -2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.045 -0.220 0.482 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.746 -0.645 0.468 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.284 0.609 -1.184 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.339 1.926 -0.253 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.843 2.855 -2.001 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.894 4.172 -1.075 1.00 0.00 H new ATOM 0 HH TYR A 23 6.547 5.452 -1.302 1.00 0.00 H new ATOM 324 N ASP A 24 5.820 -3.364 -0.763 1.00 0.00 N ATOM 325 CA ASP A 24 5.956 -4.723 -0.252 1.00 0.00 C ATOM 326 C ASP A 24 6.968 -4.776 0.889 1.00 0.00 C ATOM 327 O ASP A 24 6.801 -5.533 1.845 1.00 0.00 O ATOM 328 CB ASP A 24 6.381 -5.672 -1.373 1.00 0.00 C ATOM 329 CG ASP A 24 6.414 -7.120 -0.924 1.00 0.00 C ATOM 330 OD1 ASP A 24 5.332 -7.735 -0.826 1.00 0.00 O ATOM 331 OD2 ASP A 24 7.522 -7.638 -0.670 1.00 0.00 O ATOM 0 H ASP A 24 6.675 -2.976 -1.162 1.00 0.00 H new ATOM 0 HA ASP A 24 4.986 -5.039 0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.692 -5.570 -2.212 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.368 -5.384 -1.734 1.00 0.00 H new ATOM 336 N ARG A 25 8.018 -3.968 0.779 1.00 0.00 N ATOM 337 CA ARG A 25 9.058 -3.925 1.799 1.00 0.00 C ATOM 338 C ARG A 25 8.831 -2.760 2.758 1.00 0.00 C ATOM 339 O ARG A 25 9.167 -2.840 3.941 1.00 0.00 O ATOM 340 CB ARG A 25 10.437 -3.802 1.148 1.00 0.00 C ATOM 341 CG ARG A 25 10.866 -5.048 0.391 1.00 0.00 C ATOM 342 CD ARG A 25 12.102 -4.788 -0.456 1.00 0.00 C ATOM 343 NE ARG A 25 11.776 -4.108 -1.707 1.00 0.00 N ATOM 344 CZ ARG A 25 12.625 -3.988 -2.721 1.00 0.00 C ATOM 345 NH1 ARG A 25 13.844 -4.500 -2.633 1.00 0.00 N ATOM 346 NH2 ARG A 25 12.254 -3.355 -3.827 1.00 0.00 N ATOM 0 H ARG A 25 8.170 -3.335 -0.006 1.00 0.00 H new ATOM 0 HA ARG A 25 9.014 -4.855 2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.432 -2.954 0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.175 -3.583 1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.071 -5.852 1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.050 -5.386 -0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.809 -4.183 0.111 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.596 -5.734 -0.676 1.00 0.00 H new ATOM 0 HE ARG A 25 10.845 -3.703 -1.807 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.132 -4.988 -1.785 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.494 -4.406 -3.413 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.316 -2.960 -3.899 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.907 -3.263 -4.605 1.00 0.00 H new ATOM 360 N LEU A 26 8.260 -1.678 2.241 1.00 0.00 N ATOM 361 CA LEU A 26 7.989 -0.495 3.051 1.00 0.00 C ATOM 362 C LEU A 26 7.433 -0.886 4.416 1.00 0.00 C ATOM 363 O LEU A 26 6.692 -1.861 4.540 1.00 0.00 O ATOM 364 CB LEU A 26 7.001 0.425 2.330 1.00 0.00 C ATOM 365 CG LEU A 26 6.907 1.856 2.861 1.00 0.00 C ATOM 366 CD1 LEU A 26 8.148 2.649 2.482 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.654 2.539 2.333 1.00 0.00 C ATOM 0 H LEU A 26 7.976 -1.595 1.265 1.00 0.00 H new ATOM 0 HA LEU A 26 8.929 0.036 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.277 0.467 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.010 -0.027 2.382 1.00 0.00 H new ATOM 0 HG LEU A 26 6.845 1.816 3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.063 3.665 2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.030 2.171 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.242 2.681 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.603 3.556 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.686 2.567 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.773 1.983 2.655 1.00 0.00 H new ATOM 379 N SER A 27 7.794 -0.117 5.438 1.00 0.00 N ATOM 380 CA SER A 27 7.333 -0.383 6.796 1.00 0.00 C ATOM 381 C SER A 27 7.049 0.919 7.539 1.00 0.00 C ATOM 382 O SER A 27 7.502 1.989 7.133 1.00 0.00 O ATOM 383 CB SER A 27 8.376 -1.202 7.560 1.00 0.00 C ATOM 384 OG SER A 27 8.564 -2.473 6.962 1.00 0.00 O ATOM 0 H SER A 27 8.404 0.696 5.352 1.00 0.00 H new ATOM 0 HA SER A 27 6.407 -0.954 6.733 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.323 -0.663 7.580 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.058 -1.327 8.595 1.00 0.00 H new ATOM 0 HG SER A 27 9.236 -2.976 7.468 1.00 0.00 H new ATOM 390 N ARG A 28 6.294 0.818 8.628 1.00 0.00 N ATOM 391 CA ARG A 28 5.948 1.987 9.428 1.00 0.00 C ATOM 392 C ARG A 28 7.136 2.936 9.547 1.00 0.00 C ATOM 393 O ARG A 28 6.989 4.151 9.422 1.00 0.00 O ATOM 394 CB ARG A 28 5.482 1.559 10.821 1.00 0.00 C ATOM 395 CG ARG A 28 4.253 0.665 10.803 1.00 0.00 C ATOM 396 CD ARG A 28 3.955 0.100 12.184 1.00 0.00 C ATOM 397 NE ARG A 28 5.021 -0.780 12.657 1.00 0.00 N ATOM 398 CZ ARG A 28 4.940 -1.500 13.769 1.00 0.00 C ATOM 399 NH1 ARG A 28 3.848 -1.447 14.519 1.00 0.00 N ATOM 400 NH2 ARG A 28 5.952 -2.277 14.133 1.00 0.00 N ATOM 0 H ARG A 28 5.910 -0.061 8.976 1.00 0.00 H new ATOM 0 HA ARG A 28 5.135 2.511 8.926 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.296 1.034 11.322 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.265 2.449 11.412 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.393 1.233 10.448 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.407 -0.153 10.099 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.822 0.920 12.890 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.015 -0.452 12.155 1.00 0.00 H new ATOM 0 HE ARG A 28 5.874 -0.845 12.102 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.067 -0.852 14.242 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.788 -2.001 15.373 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.793 -2.321 13.558 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.889 -2.830 14.988 1.00 0.00 H new ATOM 414 N GLY A 29 8.316 2.372 9.791 1.00 0.00 N ATOM 415 CA GLY A 29 9.512 3.183 9.924 1.00 0.00 C ATOM 416 C GLY A 29 9.560 4.315 8.917 1.00 0.00 C ATOM 417 O GLY A 29 9.815 5.464 9.278 1.00 0.00 O ATOM 0 H GLY A 29 8.464 1.369 9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.557 3.595 10.932 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.391 2.551 9.798 1.00 0.00 H new ATOM 421 N GLU A 30 9.316 3.990 7.652 1.00 0.00 N ATOM 422 CA GLU A 30 9.335 4.990 6.590 1.00 0.00 C ATOM 423 C GLU A 30 7.917 5.396 6.199 1.00 0.00 C ATOM 424 O GLU A 30 7.597 6.582 6.128 1.00 0.00 O ATOM 425 CB GLU A 30 10.079 4.452 5.366 1.00 0.00 C ATOM 426 CG GLU A 30 11.508 4.028 5.660 1.00 0.00 C ATOM 427 CD GLU A 30 12.282 3.672 4.405 1.00 0.00 C ATOM 428 OE1 GLU A 30 12.392 4.538 3.512 1.00 0.00 O ATOM 429 OE2 GLU A 30 12.776 2.529 4.316 1.00 0.00 O ATOM 0 H GLU A 30 9.103 3.043 7.337 1.00 0.00 H new ATOM 0 HA GLU A 30 9.856 5.871 6.965 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.531 3.599 4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.089 5.219 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.022 4.835 6.183 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.497 3.169 6.331 1.00 0.00 H new ATOM 436 N ALA A 31 7.072 4.402 5.945 1.00 0.00 N ATOM 437 CA ALA A 31 5.688 4.654 5.563 1.00 0.00 C ATOM 438 C ALA A 31 5.145 5.898 6.258 1.00 0.00 C ATOM 439 O ALA A 31 4.764 6.868 5.605 1.00 0.00 O ATOM 440 CB ALA A 31 4.823 3.445 5.886 1.00 0.00 C ATOM 0 H ALA A 31 7.322 3.414 5.997 1.00 0.00 H new ATOM 0 HA ALA A 31 5.659 4.830 4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.792 3.647 5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.191 2.578 5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.865 3.243 6.956 1.00 0.00 H new ATOM 446 N GLU A 32 5.111 5.860 7.587 1.00 0.00 N ATOM 447 CA GLU A 32 4.612 6.984 8.369 1.00 0.00 C ATOM 448 C GLU A 32 5.353 8.269 8.010 1.00 0.00 C ATOM 449 O GLU A 32 4.740 9.318 7.814 1.00 0.00 O ATOM 450 CB GLU A 32 4.759 6.699 9.865 1.00 0.00 C ATOM 451 CG GLU A 32 3.786 5.653 10.384 1.00 0.00 C ATOM 452 CD GLU A 32 3.954 5.384 11.866 1.00 0.00 C ATOM 453 OE1 GLU A 32 5.112 5.269 12.320 1.00 0.00 O ATOM 454 OE2 GLU A 32 2.929 5.288 12.573 1.00 0.00 O ATOM 0 H GLU A 32 5.423 5.064 8.143 1.00 0.00 H new ATOM 0 HA GLU A 32 3.556 7.116 8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.778 6.366 10.064 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.612 7.626 10.419 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.766 5.985 10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.928 4.724 9.832 1.00 0.00 H new ATOM 461 N ASP A 33 6.676 8.178 7.927 1.00 0.00 N ATOM 462 CA ASP A 33 7.502 9.332 7.591 1.00 0.00 C ATOM 463 C ASP A 33 7.064 9.947 6.266 1.00 0.00 C ATOM 464 O ASP A 33 6.713 11.124 6.203 1.00 0.00 O ATOM 465 CB ASP A 33 8.975 8.927 7.518 1.00 0.00 C ATOM 466 CG ASP A 33 9.909 10.114 7.648 1.00 0.00 C ATOM 467 OD1 ASP A 33 9.582 11.044 8.415 1.00 0.00 O ATOM 468 OD2 ASP A 33 10.966 10.113 6.984 1.00 0.00 O ATOM 0 H ASP A 33 7.199 7.317 8.088 1.00 0.00 H new ATOM 0 HA ASP A 33 7.377 10.078 8.375 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.191 8.210 8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.163 8.422 6.571 1.00 0.00 H new ATOM 473 N MET A 34 7.088 9.141 5.209 1.00 0.00 N ATOM 474 CA MET A 34 6.693 9.607 3.885 1.00 0.00 C ATOM 475 C MET A 34 5.554 10.616 3.981 1.00 0.00 C ATOM 476 O MET A 34 5.702 11.775 3.589 1.00 0.00 O ATOM 477 CB MET A 34 6.271 8.425 3.010 1.00 0.00 C ATOM 478 CG MET A 34 7.437 7.727 2.328 1.00 0.00 C ATOM 479 SD MET A 34 6.980 7.001 0.742 1.00 0.00 S ATOM 480 CE MET A 34 5.840 5.724 1.269 1.00 0.00 C ATOM 0 H MET A 34 7.377 8.163 5.244 1.00 0.00 H new ATOM 0 HA MET A 34 7.552 10.099 3.429 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.734 7.702 3.624 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.574 8.777 2.250 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.245 8.442 2.176 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.822 6.946 2.984 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.326 4.751 1.199 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.541 5.907 2.301 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.959 5.736 0.628 1.00 0.00 H new ATOM 490 N LEU A 35 4.417 10.170 4.503 1.00 0.00 N ATOM 491 CA LEU A 35 3.251 11.034 4.650 1.00 0.00 C ATOM 492 C LEU A 35 3.638 12.368 5.280 1.00 0.00 C ATOM 493 O LEU A 35 3.234 13.430 4.807 1.00 0.00 O ATOM 494 CB LEU A 35 2.185 10.345 5.503 1.00 0.00 C ATOM 495 CG LEU A 35 1.226 9.415 4.758 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.580 10.141 3.589 1.00 0.00 C ATOM 497 CD2 LEU A 35 1.957 8.170 4.277 1.00 0.00 C ATOM 0 H LEU A 35 4.278 9.215 4.832 1.00 0.00 H new ATOM 0 HA LEU A 35 2.845 11.226 3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.687 9.769 6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.597 11.114 6.005 1.00 0.00 H new ATOM 0 HG LEU A 35 0.440 9.107 5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.099 9.464 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.022 11.002 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.353 10.479 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.259 7.520 3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.764 8.459 3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.372 7.638 5.133 1.00 0.00 H new ATOM 509 N MET A 36 4.426 12.306 6.349 1.00 0.00 N ATOM 510 CA MET A 36 4.871 13.509 7.042 1.00 0.00 C ATOM 511 C MET A 36 5.565 14.466 6.078 1.00 0.00 C ATOM 512 O MET A 36 5.438 15.685 6.199 1.00 0.00 O ATOM 513 CB MET A 36 5.818 13.144 8.187 1.00 0.00 C ATOM 514 CG MET A 36 5.205 12.194 9.203 1.00 0.00 C ATOM 515 SD MET A 36 5.993 12.304 10.820 1.00 0.00 S ATOM 516 CE MET A 36 4.599 11.988 11.899 1.00 0.00 C ATOM 0 H MET A 36 4.769 11.435 6.754 1.00 0.00 H new ATOM 0 HA MET A 36 3.993 14.008 7.452 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.717 12.689 7.773 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.128 14.057 8.696 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.142 12.414 9.305 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.285 11.172 8.833 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.928 12.023 12.938 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.833 12.746 11.735 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.187 11.003 11.682 1.00 0.00 H new ATOM 526 N ARG A 37 6.298 13.906 5.121 1.00 0.00 N ATOM 527 CA ARG A 37 7.013 14.711 4.138 1.00 0.00 C ATOM 528 C ARG A 37 6.044 15.339 3.141 1.00 0.00 C ATOM 529 O ARG A 37 6.111 16.537 2.866 1.00 0.00 O ATOM 530 CB ARG A 37 8.040 13.853 3.396 1.00 0.00 C ATOM 531 CG ARG A 37 9.362 13.711 4.133 1.00 0.00 C ATOM 532 CD ARG A 37 9.357 12.504 5.058 1.00 0.00 C ATOM 533 NE ARG A 37 10.350 12.626 6.122 1.00 0.00 N ATOM 534 CZ ARG A 37 11.655 12.463 5.931 1.00 0.00 C ATOM 535 NH1 ARG A 37 12.121 12.174 4.724 1.00 0.00 N ATOM 536 NH2 ARG A 37 12.496 12.590 6.949 1.00 0.00 N ATOM 0 H ARG A 37 6.412 12.899 5.006 1.00 0.00 H new ATOM 0 HA ARG A 37 7.531 15.511 4.667 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.619 12.862 3.228 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.226 14.291 2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.173 13.615 3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.556 14.614 4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.366 12.389 5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.555 11.602 4.479 1.00 0.00 H new ATOM 0 HE ARG A 37 10.024 12.848 7.063 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.477 12.076 3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.123 12.050 4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.141 12.813 7.879 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.498 12.465 6.802 1.00 0.00 H new ATOM 550 N ILE A 38 5.145 14.522 2.602 1.00 0.00 N ATOM 551 CA ILE A 38 4.162 14.998 1.637 1.00 0.00 C ATOM 552 C ILE A 38 3.380 16.186 2.188 1.00 0.00 C ATOM 553 O ILE A 38 2.543 16.049 3.080 1.00 0.00 O ATOM 554 CB ILE A 38 3.174 13.885 1.244 1.00 0.00 C ATOM 555 CG1 ILE A 38 3.916 12.563 1.038 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.412 14.272 -0.014 1.00 0.00 C ATOM 557 CD1 ILE A 38 5.138 12.687 0.154 1.00 0.00 C ATOM 0 H ILE A 38 5.077 13.527 2.817 1.00 0.00 H new ATOM 0 HA ILE A 38 4.716 15.310 0.751 1.00 0.00 H new ATOM 0 HB ILE A 38 2.456 13.755 2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.218 12.170 2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.232 11.836 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.718 13.475 -0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.856 15.192 0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.115 14.427 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.614 11.712 0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.840 13.050 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.841 13.389 0.602 1.00 0.00 H new ATOM 569 N PRO A 39 3.657 17.380 1.645 1.00 0.00 N ATOM 570 CA PRO A 39 2.989 18.615 2.065 1.00 0.00 C ATOM 571 C PRO A 39 1.524 18.654 1.644 1.00 0.00 C ATOM 572 O PRO A 39 0.851 19.673 1.798 1.00 0.00 O ATOM 573 CB PRO A 39 3.781 19.710 1.346 1.00 0.00 C ATOM 574 CG PRO A 39 4.367 19.033 0.155 1.00 0.00 C ATOM 575 CD PRO A 39 4.644 17.617 0.578 1.00 0.00 C ATOM 0 HA PRO A 39 2.976 18.722 3.150 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.136 20.538 1.053 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.558 20.124 1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.677 19.060 -0.688 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.282 19.531 -0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.517 16.918 -0.249 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.665 17.499 0.941 1.00 0.00 H new ATOM 583 N ARG A 40 1.036 17.538 1.112 1.00 0.00 N ATOM 584 CA ARG A 40 -0.349 17.445 0.668 1.00 0.00 C ATOM 585 C ARG A 40 -1.180 16.622 1.648 1.00 0.00 C ATOM 586 O ARG A 40 -1.132 15.392 1.639 1.00 0.00 O ATOM 587 CB ARG A 40 -0.419 16.820 -0.726 1.00 0.00 C ATOM 588 CG ARG A 40 0.415 17.552 -1.765 1.00 0.00 C ATOM 589 CD ARG A 40 -0.331 18.746 -2.338 1.00 0.00 C ATOM 590 NE ARG A 40 0.579 19.756 -2.871 1.00 0.00 N ATOM 591 CZ ARG A 40 0.228 21.018 -3.094 1.00 0.00 C ATOM 592 NH1 ARG A 40 -1.007 21.422 -2.831 1.00 0.00 N ATOM 593 NH2 ARG A 40 1.114 21.878 -3.581 1.00 0.00 N ATOM 0 H ARG A 40 1.580 16.686 0.978 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.760 18.454 0.628 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.084 15.784 -0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.458 16.801 -1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.348 17.888 -1.313 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.679 16.866 -2.570 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.002 18.409 -3.129 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.952 19.192 -1.561 1.00 0.00 H new ATOM 0 HE ARG A 40 1.537 19.477 -3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.690 20.764 -2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.274 22.391 -3.003 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.065 21.570 -3.784 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.844 22.847 -3.752 1.00 0.00 H new ATOM 607 N ASP A 41 -1.941 17.310 2.493 1.00 0.00 N ATOM 608 CA ASP A 41 -2.783 16.644 3.479 1.00 0.00 C ATOM 609 C ASP A 41 -3.768 15.696 2.802 1.00 0.00 C ATOM 610 O ASP A 41 -4.434 16.064 1.835 1.00 0.00 O ATOM 611 CB ASP A 41 -3.542 17.676 4.314 1.00 0.00 C ATOM 612 CG ASP A 41 -4.004 18.861 3.489 1.00 0.00 C ATOM 613 OD1 ASP A 41 -4.149 18.707 2.259 1.00 0.00 O ATOM 614 OD2 ASP A 41 -4.219 19.944 4.074 1.00 0.00 O ATOM 0 H ASP A 41 -1.992 18.329 2.514 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.138 16.060 4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.406 17.200 4.777 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.901 18.028 5.122 1.00 0.00 H new ATOM 619 N GLY A 42 -3.854 14.473 3.316 1.00 0.00 N ATOM 620 CA GLY A 42 -4.758 13.491 2.747 1.00 0.00 C ATOM 621 C GLY A 42 -4.025 12.336 2.094 1.00 0.00 C ATOM 622 O GLY A 42 -4.563 11.235 1.981 1.00 0.00 O ATOM 0 H GLY A 42 -3.314 14.145 4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.411 13.106 3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.397 13.975 2.009 1.00 0.00 H new ATOM 626 N ALA A 43 -2.794 12.588 1.662 1.00 0.00 N ATOM 627 CA ALA A 43 -1.985 11.561 1.017 1.00 0.00 C ATOM 628 C ALA A 43 -2.195 10.202 1.678 1.00 0.00 C ATOM 629 O ALA A 43 -2.542 10.121 2.856 1.00 0.00 O ATOM 630 CB ALA A 43 -0.514 11.946 1.054 1.00 0.00 C ATOM 0 H ALA A 43 -2.335 13.495 1.747 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.302 11.484 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.078 11.170 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.372 12.891 0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.192 12.053 2.090 1.00 0.00 H new ATOM 636 N PHE A 44 -1.983 9.138 0.911 1.00 0.00 N ATOM 637 CA PHE A 44 -2.151 7.782 1.421 1.00 0.00 C ATOM 638 C PHE A 44 -1.144 6.831 0.780 1.00 0.00 C ATOM 639 O PHE A 44 -0.393 7.216 -0.117 1.00 0.00 O ATOM 640 CB PHE A 44 -3.575 7.288 1.159 1.00 0.00 C ATOM 641 CG PHE A 44 -3.792 6.804 -0.246 1.00 0.00 C ATOM 642 CD1 PHE A 44 -3.999 7.704 -1.279 1.00 0.00 C ATOM 643 CD2 PHE A 44 -3.789 5.448 -0.534 1.00 0.00 C ATOM 644 CE1 PHE A 44 -4.199 7.261 -2.573 1.00 0.00 C ATOM 645 CE2 PHE A 44 -3.988 4.999 -1.826 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.193 5.907 -2.847 1.00 0.00 C ATOM 0 H PHE A 44 -1.695 9.188 -0.066 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.973 7.801 2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.804 6.479 1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.276 8.096 1.369 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.004 8.764 -1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.629 4.734 0.260 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.360 7.973 -3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.983 3.940 -2.037 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.348 5.559 -3.857 1.00 0.00 H new ATOM 656 N LEU A 45 -1.134 5.588 1.247 1.00 0.00 N ATOM 657 CA LEU A 45 -0.220 4.580 0.721 1.00 0.00 C ATOM 658 C LEU A 45 -0.540 3.203 1.293 1.00 0.00 C ATOM 659 O LEU A 45 -0.876 3.071 2.470 1.00 0.00 O ATOM 660 CB LEU A 45 1.227 4.956 1.046 1.00 0.00 C ATOM 661 CG LEU A 45 1.727 4.561 2.436 1.00 0.00 C ATOM 662 CD1 LEU A 45 2.259 3.136 2.426 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.800 5.530 2.912 1.00 0.00 C ATOM 0 H LEU A 45 -1.749 5.253 1.989 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.345 4.541 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.877 4.494 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.334 6.035 0.936 1.00 0.00 H new ATOM 0 HG LEU A 45 0.888 4.609 3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.611 2.872 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.463 2.453 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.085 3.061 1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.144 5.234 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.639 5.514 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.386 6.537 2.958 1.00 0.00 H new ATOM 675 N ILE A 46 -0.430 2.179 0.452 1.00 0.00 N ATOM 676 CA ILE A 46 -0.705 0.812 0.875 1.00 0.00 C ATOM 677 C ILE A 46 0.558 -0.042 0.830 1.00 0.00 C ATOM 678 O ILE A 46 1.305 -0.012 -0.148 1.00 0.00 O ATOM 679 CB ILE A 46 -1.785 0.156 -0.005 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.089 0.953 0.072 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.013 -1.286 0.422 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.141 0.486 -0.909 1.00 0.00 C ATOM 0 H ILE A 46 -0.153 2.271 -0.525 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.068 0.867 1.901 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.440 0.157 -1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.490 0.882 1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.874 2.005 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.779 -1.736 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.084 -1.847 0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.340 -1.310 1.462 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.038 1.096 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.759 0.583 -1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.385 -0.558 -0.711 1.00 0.00 H new ATOM 694 N ARG A 47 0.790 -0.802 1.895 1.00 0.00 N ATOM 695 CA ARG A 47 1.963 -1.665 1.977 1.00 0.00 C ATOM 696 C ARG A 47 1.635 -2.959 2.715 1.00 0.00 C ATOM 697 O ARG A 47 0.818 -2.972 3.636 1.00 0.00 O ATOM 698 CB ARG A 47 3.109 -0.938 2.684 1.00 0.00 C ATOM 699 CG ARG A 47 3.007 -0.970 4.200 1.00 0.00 C ATOM 700 CD ARG A 47 3.682 0.238 4.829 1.00 0.00 C ATOM 701 NE ARG A 47 3.538 0.251 6.282 1.00 0.00 N ATOM 702 CZ ARG A 47 2.392 0.502 6.905 1.00 0.00 C ATOM 703 NH1 ARG A 47 1.296 0.760 6.205 1.00 0.00 N ATOM 704 NH2 ARG A 47 2.341 0.495 8.231 1.00 0.00 N ATOM 0 H ARG A 47 0.182 -0.838 2.713 1.00 0.00 H new ATOM 0 HA ARG A 47 2.272 -1.914 0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.055 -1.388 2.382 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.130 0.100 2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.958 -0.996 4.495 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.467 -1.883 4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.741 0.237 4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.253 1.150 4.414 1.00 0.00 H new ATOM 0 HE ARG A 47 4.363 0.057 6.850 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.332 0.766 5.186 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.417 0.952 6.686 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.182 0.297 8.773 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.461 0.688 8.709 1.00 0.00 H new ATOM 718 N LYS A 48 2.277 -4.048 2.305 1.00 0.00 N ATOM 719 CA LYS A 48 2.055 -5.348 2.926 1.00 0.00 C ATOM 720 C LYS A 48 2.948 -5.525 4.151 1.00 0.00 C ATOM 721 O LYS A 48 4.091 -5.068 4.168 1.00 0.00 O ATOM 722 CB LYS A 48 2.323 -6.470 1.920 1.00 0.00 C ATOM 723 CG LYS A 48 2.020 -7.856 2.461 1.00 0.00 C ATOM 724 CD LYS A 48 3.238 -8.472 3.130 1.00 0.00 C ATOM 725 CE LYS A 48 4.245 -8.971 2.105 1.00 0.00 C ATOM 726 NZ LYS A 48 5.480 -9.496 2.751 1.00 0.00 N ATOM 0 H LYS A 48 2.956 -4.055 1.544 1.00 0.00 H new ATOM 0 HA LYS A 48 1.014 -5.397 3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.721 -6.298 1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.368 -6.429 1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.201 -7.797 3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.686 -8.500 1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.711 -7.733 3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.925 -9.299 3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.790 -9.756 1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.507 -8.158 1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.141 -9.826 2.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.929 -8.741 3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.234 -10.288 3.378 1.00 0.00 H new ATOM 740 N ARG A 49 2.419 -6.191 5.172 1.00 0.00 N ATOM 741 CA ARG A 49 3.169 -6.428 6.399 1.00 0.00 C ATOM 742 C ARG A 49 3.146 -7.908 6.773 1.00 0.00 C ATOM 743 O ARG A 49 2.080 -8.505 6.915 1.00 0.00 O ATOM 744 CB ARG A 49 2.591 -5.594 7.544 1.00 0.00 C ATOM 745 CG ARG A 49 2.527 -4.106 7.240 1.00 0.00 C ATOM 746 CD ARG A 49 1.976 -3.320 8.420 1.00 0.00 C ATOM 747 NE ARG A 49 2.904 -3.303 9.547 1.00 0.00 N ATOM 748 CZ ARG A 49 2.574 -2.886 10.765 1.00 0.00 C ATOM 749 NH1 ARG A 49 1.345 -2.453 11.010 1.00 0.00 N ATOM 750 NH2 ARG A 49 3.474 -2.901 11.739 1.00 0.00 N ATOM 0 H ARG A 49 1.474 -6.576 5.174 1.00 0.00 H new ATOM 0 HA ARG A 49 4.203 -6.130 6.226 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.588 -5.953 7.774 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.197 -5.748 8.437 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.524 -3.741 6.992 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.899 -3.939 6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.766 -2.297 8.108 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.029 -3.757 8.737 1.00 0.00 H new ATOM 0 HE ARG A 49 3.858 -3.629 9.391 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.651 -2.440 10.263 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.094 -2.133 11.946 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.421 -3.233 11.554 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.220 -2.581 12.673 1.00 0.00 H new ATOM 812 N SER A 54 -3.280 -9.688 6.235 1.00 0.00 N ATOM 813 CA SER A 54 -3.943 -8.430 6.560 1.00 0.00 C ATOM 814 C SER A 54 -3.025 -7.244 6.282 1.00 0.00 C ATOM 815 O SER A 54 -1.933 -7.146 6.842 1.00 0.00 O ATOM 816 CB SER A 54 -4.377 -8.422 8.027 1.00 0.00 C ATOM 817 OG SER A 54 -5.095 -9.599 8.353 1.00 0.00 O ATOM 0 HA SER A 54 -4.826 -8.339 5.927 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.500 -8.338 8.668 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.998 -7.548 8.221 1.00 0.00 H new ATOM 0 HG SER A 54 -4.765 -10.345 7.809 1.00 0.00 H new ATOM 823 N TYR A 55 -3.476 -6.346 5.414 1.00 0.00 N ATOM 824 CA TYR A 55 -2.695 -5.167 5.058 1.00 0.00 C ATOM 825 C TYR A 55 -3.107 -3.966 5.903 1.00 0.00 C ATOM 826 O TYR A 55 -4.091 -4.019 6.640 1.00 0.00 O ATOM 827 CB TYR A 55 -2.867 -4.843 3.573 1.00 0.00 C ATOM 828 CG TYR A 55 -2.575 -6.013 2.661 1.00 0.00 C ATOM 829 CD1 TYR A 55 -3.493 -7.043 2.502 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.379 -6.087 1.956 1.00 0.00 C ATOM 831 CE1 TYR A 55 -3.230 -8.114 1.670 1.00 0.00 C ATOM 832 CE2 TYR A 55 -1.108 -7.153 1.120 1.00 0.00 C ATOM 833 CZ TYR A 55 -2.036 -8.164 0.981 1.00 0.00 C ATOM 834 OH TYR A 55 -1.770 -9.228 0.150 1.00 0.00 O ATOM 0 H TYR A 55 -4.379 -6.412 4.944 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.645 -5.385 5.255 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.888 -4.504 3.400 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.207 -4.016 3.311 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.430 -7.006 3.039 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.650 -5.298 2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.955 -8.907 1.560 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.175 -7.195 0.578 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.888 -9.110 -0.261 1.00 0.00 H new ATOM 844 N ALA A 56 -2.346 -2.882 5.790 1.00 0.00 N ATOM 845 CA ALA A 56 -2.633 -1.666 6.540 1.00 0.00 C ATOM 846 C ALA A 56 -2.354 -0.424 5.701 1.00 0.00 C ATOM 847 O ALA A 56 -1.233 -0.219 5.232 1.00 0.00 O ATOM 848 CB ALA A 56 -1.815 -1.632 7.823 1.00 0.00 C ATOM 0 H ALA A 56 -1.526 -2.822 5.186 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.692 -1.669 6.796 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.039 -0.718 8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.066 -2.497 8.437 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.753 -1.657 7.578 1.00 0.00 H new ATOM 854 N ILE A 57 -3.379 0.401 5.513 1.00 0.00 N ATOM 855 CA ILE A 57 -3.243 1.622 4.730 1.00 0.00 C ATOM 856 C ILE A 57 -2.818 2.794 5.608 1.00 0.00 C ATOM 857 O ILE A 57 -3.298 2.950 6.732 1.00 0.00 O ATOM 858 CB ILE A 57 -4.558 1.982 4.015 1.00 0.00 C ATOM 859 CG1 ILE A 57 -4.335 3.141 3.041 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.634 2.337 5.031 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.433 3.285 2.011 1.00 0.00 C ATOM 0 H ILE A 57 -4.313 0.245 5.893 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.473 1.433 3.983 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.894 1.114 3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.254 4.069 3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.384 2.996 2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.558 2.589 4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.809 1.485 5.688 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.307 3.191 5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.208 4.126 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.500 2.372 1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.383 3.461 2.515 1.00 0.00 H new ATOM 873 N THR A 58 -1.914 3.620 5.089 1.00 0.00 N ATOM 874 CA THR A 58 -1.425 4.778 5.824 1.00 0.00 C ATOM 875 C THR A 58 -1.701 6.070 5.063 1.00 0.00 C ATOM 876 O THR A 58 -1.666 6.097 3.833 1.00 0.00 O ATOM 877 CB THR A 58 0.087 4.671 6.100 1.00 0.00 C ATOM 878 OG1 THR A 58 0.391 3.395 6.674 1.00 0.00 O ATOM 879 CG2 THR A 58 0.546 5.778 7.037 1.00 0.00 C ATOM 0 H THR A 58 -1.506 3.507 4.161 1.00 0.00 H new ATOM 0 HA THR A 58 -1.960 4.798 6.774 1.00 0.00 H new ATOM 0 HB THR A 58 0.615 4.777 5.153 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.206 3.417 7.636 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.617 5.682 7.217 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.340 6.747 6.583 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.010 5.699 7.983 1.00 0.00 H new ATOM 887 N PHE A 59 -1.975 7.140 5.802 1.00 0.00 N ATOM 888 CA PHE A 59 -2.257 8.436 5.196 1.00 0.00 C ATOM 889 C PHE A 59 -1.928 9.571 6.162 1.00 0.00 C ATOM 890 O PHE A 59 -1.588 9.335 7.321 1.00 0.00 O ATOM 891 CB PHE A 59 -3.726 8.517 4.777 1.00 0.00 C ATOM 892 CG PHE A 59 -4.657 7.795 5.710 1.00 0.00 C ATOM 893 CD1 PHE A 59 -4.690 6.410 5.741 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.497 8.500 6.555 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.545 5.743 6.597 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.355 7.838 7.414 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.378 6.458 7.435 1.00 0.00 C ATOM 0 H PHE A 59 -2.008 7.135 6.821 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.628 8.541 4.312 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.022 9.565 4.720 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.833 8.101 3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.040 5.846 5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.482 9.580 6.543 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.562 4.663 6.611 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.006 8.400 8.067 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.046 5.938 8.106 1.00 0.00 H new ATOM 907 N ARG A 60 -2.031 10.803 5.674 1.00 0.00 N ATOM 908 CA ARG A 60 -1.743 11.975 6.492 1.00 0.00 C ATOM 909 C ARG A 60 -3.033 12.621 6.989 1.00 0.00 C ATOM 910 O ARG A 60 -3.868 13.054 6.195 1.00 0.00 O ATOM 911 CB ARG A 60 -0.925 12.992 5.693 1.00 0.00 C ATOM 912 CG ARG A 60 -0.011 13.848 6.554 1.00 0.00 C ATOM 913 CD ARG A 60 0.773 14.844 5.714 1.00 0.00 C ATOM 914 NE ARG A 60 0.066 16.113 5.569 1.00 0.00 N ATOM 915 CZ ARG A 60 0.672 17.266 5.307 1.00 0.00 C ATOM 916 NH1 ARG A 60 1.989 17.309 5.163 1.00 0.00 N ATOM 917 NH2 ARG A 60 -0.041 18.380 5.189 1.00 0.00 N ATOM 0 H ARG A 60 -2.312 11.015 4.717 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.163 11.651 7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.323 12.462 4.954 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.606 13.642 5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.604 14.383 7.296 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.681 13.207 7.101 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.745 15.021 6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.960 14.419 4.728 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.949 16.115 5.675 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.540 16.455 5.253 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.451 18.196 4.962 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.055 18.351 5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.425 19.265 4.988 1.00 0.00 H new ATOM 931 N ALA A 61 -3.188 12.682 8.307 1.00 0.00 N ATOM 932 CA ALA A 61 -4.375 13.276 8.910 1.00 0.00 C ATOM 933 C ALA A 61 -4.060 14.643 9.510 1.00 0.00 C ATOM 934 O ALA A 61 -3.619 14.741 10.655 1.00 0.00 O ATOM 935 CB ALA A 61 -4.948 12.350 9.972 1.00 0.00 C ATOM 0 H ALA A 61 -2.507 12.327 8.978 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.120 13.415 8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.834 12.807 10.413 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.220 11.398 9.516 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.202 12.181 10.748 1.00 0.00 H new ATOM 941 N ARG A 62 -4.289 15.694 8.729 1.00 0.00 N ATOM 942 CA ARG A 62 -4.028 17.054 9.183 1.00 0.00 C ATOM 943 C ARG A 62 -2.630 17.167 9.785 1.00 0.00 C ATOM 944 O ARG A 62 -2.423 17.873 10.771 1.00 0.00 O ATOM 945 CB ARG A 62 -5.074 17.480 10.215 1.00 0.00 C ATOM 946 CG ARG A 62 -6.503 17.401 9.701 1.00 0.00 C ATOM 947 CD ARG A 62 -7.085 16.008 9.887 1.00 0.00 C ATOM 948 NE ARG A 62 -7.582 15.799 11.244 1.00 0.00 N ATOM 949 CZ ARG A 62 -8.783 16.190 11.655 1.00 0.00 C ATOM 950 NH1 ARG A 62 -9.606 16.807 10.818 1.00 0.00 N ATOM 951 NH2 ARG A 62 -9.164 15.964 12.906 1.00 0.00 N ATOM 0 H ARG A 62 -4.655 15.629 7.779 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.089 17.716 8.319 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.979 16.849 11.098 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.866 18.502 10.530 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.121 18.128 10.228 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.526 17.668 8.645 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.897 15.857 9.176 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.322 15.263 9.662 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.974 15.327 11.913 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.317 16.983 9.856 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.528 17.106 11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.534 15.490 13.553 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.087 16.265 13.220 1.00 0.00 H new ATOM 965 N GLY A 63 -1.674 16.466 9.183 1.00 0.00 N ATOM 966 CA GLY A 63 -0.308 16.501 9.674 1.00 0.00 C ATOM 967 C GLY A 63 0.183 15.138 10.120 1.00 0.00 C ATOM 968 O GLY A 63 1.133 14.597 9.556 1.00 0.00 O ATOM 0 H GLY A 63 -1.821 15.875 8.365 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.347 16.881 8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.243 17.198 10.509 1.00 0.00 H new ATOM 972 N LYS A 64 -0.466 14.582 11.138 1.00 0.00 N ATOM 973 CA LYS A 64 -0.091 13.274 11.661 1.00 0.00 C ATOM 974 C LYS A 64 -0.356 12.180 10.632 1.00 0.00 C ATOM 975 O LYS A 64 -0.809 12.455 9.521 1.00 0.00 O ATOM 976 CB LYS A 64 -0.863 12.977 12.949 1.00 0.00 C ATOM 977 CG LYS A 64 -2.351 12.766 12.730 1.00 0.00 C ATOM 978 CD LYS A 64 -2.985 12.021 13.893 1.00 0.00 C ATOM 979 CE LYS A 64 -2.672 10.534 13.841 1.00 0.00 C ATOM 980 NZ LYS A 64 -2.653 9.923 15.199 1.00 0.00 N ATOM 0 H LYS A 64 -1.254 15.017 11.617 1.00 0.00 H new ATOM 0 HA LYS A 64 0.977 13.290 11.880 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.443 12.087 13.417 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.720 13.802 13.647 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.842 13.731 12.604 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.508 12.206 11.808 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.623 12.437 14.833 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.065 12.167 13.874 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.416 10.028 13.225 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.705 10.383 13.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.436 8.909 15.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.926 10.389 15.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.584 10.044 15.647 1.00 0.00 H new ATOM 994 N VAL A 65 -0.072 10.937 11.010 1.00 0.00 N ATOM 995 CA VAL A 65 -0.283 9.801 10.121 1.00 0.00 C ATOM 996 C VAL A 65 -1.263 8.803 10.727 1.00 0.00 C ATOM 997 O VAL A 65 -1.145 8.430 11.894 1.00 0.00 O ATOM 998 CB VAL A 65 1.042 9.078 9.810 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.798 7.886 8.897 1.00 0.00 C ATOM 1000 CG2 VAL A 65 2.041 10.042 9.188 1.00 0.00 C ATOM 0 H VAL A 65 0.305 10.692 11.926 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.699 10.197 9.195 1.00 0.00 H new ATOM 0 HB VAL A 65 1.463 8.708 10.745 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.745 7.388 8.688 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.120 7.186 9.385 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.354 8.229 7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.971 9.515 8.975 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.631 10.443 8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.238 10.859 9.882 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.232 8.374 9.926 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.234 7.417 10.381 1.00 0.00 C ATOM 1012 C LYS A 66 -2.923 6.016 9.865 1.00 0.00 C ATOM 1013 O LYS A 66 -1.971 5.819 9.108 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.627 7.846 9.916 1.00 0.00 C ATOM 1015 CG LYS A 66 -5.298 8.845 10.842 1.00 0.00 C ATOM 1016 CD LYS A 66 -5.790 8.180 12.117 1.00 0.00 C ATOM 1017 CE LYS A 66 -6.361 9.199 13.092 1.00 0.00 C ATOM 1018 NZ LYS A 66 -6.520 8.629 14.459 1.00 0.00 N ATOM 0 H LYS A 66 -2.345 8.674 8.958 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.212 7.397 11.471 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.550 8.282 8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.260 6.963 9.829 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.595 9.639 11.093 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.137 9.313 10.327 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.553 7.441 11.872 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.967 7.644 12.590 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.705 10.068 13.135 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.328 9.547 12.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.911 9.354 15.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.166 7.815 14.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.593 8.320 14.816 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.731 5.045 10.278 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.543 3.662 9.855 1.00 0.00 C ATOM 1034 C HIS A 67 -4.844 2.874 9.978 1.00 0.00 C ATOM 1035 O HIS A 67 -5.405 2.751 11.067 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.448 2.996 10.689 1.00 0.00 C ATOM 1037 CG HIS A 67 -1.157 3.753 10.697 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -0.192 3.607 9.722 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -0.673 4.670 11.568 1.00 0.00 C ATOM 1040 CE1 HIS A 67 0.829 4.399 9.994 1.00 0.00 C ATOM 1041 NE2 HIS A 67 0.562 5.055 11.109 1.00 0.00 N ATOM 0 H HIS A 67 -4.522 5.190 10.905 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.240 3.666 8.808 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.801 2.885 11.714 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.269 1.992 10.303 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.167 5.031 12.458 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.729 4.494 9.405 1.00 0.00 H new ATOM 0 HE2 HIS A 67 1.174 5.737 11.556 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.317 2.343 8.856 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.553 1.569 8.838 1.00 0.00 C ATOM 1052 C CYS A 68 -6.257 0.076 8.733 1.00 0.00 C ATOM 1053 O CYS A 68 -5.124 -0.325 8.467 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.438 2.009 7.672 1.00 0.00 C ATOM 1055 SG CYS A 68 -9.210 1.805 7.972 1.00 0.00 S ATOM 0 H CYS A 68 -4.863 2.434 7.947 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.081 1.752 9.774 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.236 3.057 7.452 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.162 1.438 6.785 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.876 2.206 6.930 1.00 0.00 H new ATOM 1061 N ARG A 69 -7.283 -0.741 8.945 1.00 0.00 N ATOM 1062 CA ARG A 69 -7.133 -2.190 8.877 1.00 0.00 C ATOM 1063 C ARG A 69 -7.811 -2.749 7.630 1.00 0.00 C ATOM 1064 O ARG A 69 -8.889 -2.297 7.242 1.00 0.00 O ATOM 1065 CB ARG A 69 -7.722 -2.845 10.128 1.00 0.00 C ATOM 1066 CG ARG A 69 -7.571 -4.357 10.152 1.00 0.00 C ATOM 1067 CD ARG A 69 -6.204 -4.772 10.674 1.00 0.00 C ATOM 1068 NE ARG A 69 -6.080 -4.561 12.114 1.00 0.00 N ATOM 1069 CZ ARG A 69 -5.151 -5.142 12.864 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -4.268 -5.965 12.314 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -5.103 -4.900 14.168 1.00 0.00 N ATOM 0 H ARG A 69 -8.227 -0.425 9.165 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.068 -2.417 8.824 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.237 -2.426 11.010 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.780 -2.593 10.196 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.349 -4.792 10.780 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.714 -4.754 9.147 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.033 -5.824 10.446 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.431 -4.204 10.157 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.743 -3.933 12.568 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.301 -6.153 11.312 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.556 -6.410 12.893 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.780 -4.267 14.595 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.389 -5.347 14.744 1.00 0.00 H new ATOM 1085 N ILE A 70 -7.173 -3.734 7.006 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.715 -4.355 5.804 1.00 0.00 C ATOM 1087 C ILE A 70 -7.781 -5.871 5.950 1.00 0.00 C ATOM 1088 O ILE A 70 -6.799 -6.512 6.321 1.00 0.00 O ATOM 1089 CB ILE A 70 -6.874 -4.006 4.562 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -6.780 -2.488 4.393 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -7.474 -4.646 3.319 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -5.580 -2.043 3.587 1.00 0.00 C ATOM 0 H ILE A 70 -6.280 -4.119 7.313 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.723 -3.961 5.673 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.867 -4.401 4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.687 -2.128 3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.739 -2.023 5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.868 -4.390 2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.494 -5.729 3.441 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.490 -4.278 3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.578 -0.956 3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.667 -2.373 4.082 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.630 -2.479 2.589 1.00 0.00 H new ATOM 1104 N ASN A 71 -8.946 -6.439 5.654 1.00 0.00 N ATOM 1105 CA ASN A 71 -9.140 -7.881 5.751 1.00 0.00 C ATOM 1106 C ASN A 71 -9.820 -8.424 4.498 1.00 0.00 C ATOM 1107 O ASN A 71 -10.658 -7.753 3.894 1.00 0.00 O ATOM 1108 CB ASN A 71 -9.975 -8.222 6.987 1.00 0.00 C ATOM 1109 CG ASN A 71 -9.469 -7.527 8.236 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -10.199 -6.772 8.879 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -8.213 -7.780 8.586 1.00 0.00 N ATOM 0 H ASN A 71 -9.770 -5.923 5.345 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.160 -8.349 5.842 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.012 -7.937 6.811 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.963 -9.301 7.144 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.817 -7.342 9.418 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.644 -8.413 8.023 1.00 0.00 H new ATOM 1118 N ARG A 72 -9.455 -9.642 4.113 1.00 0.00 N ATOM 1119 CA ARG A 72 -10.030 -10.275 2.932 1.00 0.00 C ATOM 1120 C ARG A 72 -11.148 -11.238 3.321 1.00 0.00 C ATOM 1121 O ARG A 72 -11.058 -11.933 4.333 1.00 0.00 O ATOM 1122 CB ARG A 72 -8.948 -11.022 2.151 1.00 0.00 C ATOM 1123 CG ARG A 72 -8.245 -10.165 1.111 1.00 0.00 C ATOM 1124 CD ARG A 72 -7.026 -9.468 1.696 1.00 0.00 C ATOM 1125 NE ARG A 72 -5.875 -10.363 1.785 1.00 0.00 N ATOM 1126 CZ ARG A 72 -5.252 -10.867 0.726 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -5.666 -10.566 -0.497 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -4.211 -11.674 0.889 1.00 0.00 N ATOM 0 H ARG A 72 -8.763 -10.211 4.602 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.451 -9.493 2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.208 -11.408 2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.398 -11.883 1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.941 -10.788 0.270 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.939 -9.421 0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.769 -8.607 1.078 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.267 -9.088 2.689 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.531 -10.615 2.712 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.465 -9.946 -0.627 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.185 -10.955 -1.308 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.889 -11.908 1.828 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.733 -12.061 0.075 1.00 0.00 H new ATOM 1142 N ASP A 73 -12.200 -11.272 2.511 1.00 0.00 N ATOM 1143 CA ASP A 73 -13.336 -12.149 2.769 1.00 0.00 C ATOM 1144 C ASP A 73 -13.589 -13.074 1.582 1.00 0.00 C ATOM 1145 O ASP A 73 -14.450 -12.804 0.745 1.00 0.00 O ATOM 1146 CB ASP A 73 -14.589 -11.323 3.065 1.00 0.00 C ATOM 1147 CG ASP A 73 -14.703 -10.948 4.529 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -13.652 -10.807 5.189 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -15.842 -10.795 5.015 1.00 0.00 O ATOM 0 H ASP A 73 -12.290 -10.702 1.670 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.101 -12.761 3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.574 -10.416 2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.472 -11.889 2.768 1.00 0.00 H new ATOM 1154 N GLY A 74 -12.833 -14.165 1.517 1.00 0.00 N ATOM 1155 CA GLY A 74 -12.990 -15.112 0.428 1.00 0.00 C ATOM 1156 C GLY A 74 -12.409 -14.600 -0.875 1.00 0.00 C ATOM 1157 O GLY A 74 -11.204 -14.696 -1.105 1.00 0.00 O ATOM 0 H GLY A 74 -12.115 -14.410 2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.505 -16.051 0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.049 -15.329 0.289 1.00 0.00 H new ATOM 1161 N ARG A 75 -13.268 -14.055 -1.730 1.00 0.00 N ATOM 1162 CA ARG A 75 -12.833 -13.528 -3.018 1.00 0.00 C ATOM 1163 C ARG A 75 -13.136 -12.036 -3.125 1.00 0.00 C ATOM 1164 O ARG A 75 -13.584 -11.556 -4.167 1.00 0.00 O ATOM 1165 CB ARG A 75 -13.519 -14.282 -4.159 1.00 0.00 C ATOM 1166 CG ARG A 75 -14.987 -13.925 -4.329 1.00 0.00 C ATOM 1167 CD ARG A 75 -15.751 -15.034 -5.035 1.00 0.00 C ATOM 1168 NE ARG A 75 -17.013 -14.558 -5.595 1.00 0.00 N ATOM 1169 CZ ARG A 75 -17.832 -15.319 -6.313 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -17.523 -16.585 -6.557 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -18.962 -14.813 -6.789 1.00 0.00 N ATOM 0 H ARG A 75 -14.269 -13.967 -1.554 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.755 -13.669 -3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.993 -14.072 -5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.433 -15.354 -3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.433 -13.739 -3.352 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -15.074 -13.001 -4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.134 -15.449 -5.832 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.949 -15.843 -4.332 1.00 0.00 H new ATOM 0 HE ARG A 75 -17.280 -13.588 -5.426 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.655 -16.977 -6.193 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.154 -17.167 -7.108 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -19.203 -13.839 -6.604 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -19.590 -15.398 -7.340 1.00 0.00 H new ATOM 1185 N HIS A 76 -12.888 -11.308 -2.041 1.00 0.00 N ATOM 1186 CA HIS A 76 -13.134 -9.871 -2.013 1.00 0.00 C ATOM 1187 C HIS A 76 -12.307 -9.199 -0.921 1.00 0.00 C ATOM 1188 O HIS A 76 -11.722 -9.870 -0.070 1.00 0.00 O ATOM 1189 CB HIS A 76 -14.620 -9.590 -1.790 1.00 0.00 C ATOM 1190 CG HIS A 76 -15.455 -9.768 -3.020 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -15.175 -9.527 -4.323 1.00 0.00 N flip ATOM 1192 CD2 HIS A 76 -16.748 -10.246 -2.990 1.00 0.00 C flip ATOM 1193 CE1 HIS A 76 -16.292 -9.861 -5.048 1.00 0.00 C flip ATOM 1194 NE2 HIS A 76 -17.227 -10.293 -4.220 1.00 0.00 N flip ATOM 0 H HIS A 76 -12.517 -11.690 -1.171 1.00 0.00 H new ATOM 0 HA HIS A 76 -12.835 -9.458 -2.976 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -14.993 -10.252 -1.009 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -14.738 -8.569 -1.426 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -17.285 -10.537 -2.099 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -16.391 -9.783 -6.121 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -18.160 -10.609 -4.486 1.00 0.00 H new ATOM 1203 N PHE A 77 -12.263 -7.871 -0.951 1.00 0.00 N ATOM 1204 CA PHE A 77 -11.507 -7.109 0.036 1.00 0.00 C ATOM 1205 C PHE A 77 -12.438 -6.265 0.901 1.00 0.00 C ATOM 1206 O PHE A 77 -13.245 -5.488 0.390 1.00 0.00 O ATOM 1207 CB PHE A 77 -10.483 -6.209 -0.659 1.00 0.00 C ATOM 1208 CG PHE A 77 -9.324 -6.963 -1.247 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -9.514 -7.835 -2.307 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -8.045 -6.800 -0.740 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -8.450 -8.530 -2.851 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -6.977 -7.491 -1.279 1.00 0.00 C ATOM 1213 CZ PHE A 77 -7.180 -8.358 -2.335 1.00 0.00 C ATOM 0 H PHE A 77 -12.742 -7.301 -1.648 1.00 0.00 H new ATOM 0 HA PHE A 77 -10.983 -7.815 0.680 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.981 -5.649 -1.451 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.106 -5.480 0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -10.505 -7.973 -2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.881 -6.125 0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -8.611 -9.206 -3.678 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.985 -7.354 -0.875 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.347 -8.901 -2.757 1.00 0.00 H new ATOM 1223 N VAL A 78 -12.320 -6.423 2.216 1.00 0.00 N ATOM 1224 CA VAL A 78 -13.149 -5.676 3.153 1.00 0.00 C ATOM 1225 C VAL A 78 -12.326 -4.643 3.914 1.00 0.00 C ATOM 1226 O VAL A 78 -11.235 -4.940 4.403 1.00 0.00 O ATOM 1227 CB VAL A 78 -13.837 -6.613 4.164 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -14.728 -5.819 5.108 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -14.637 -7.684 3.438 1.00 0.00 C ATOM 0 H VAL A 78 -11.658 -7.062 2.656 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.911 -5.166 2.563 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.067 -7.106 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.205 -6.498 5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.125 -5.093 5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.493 -5.297 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.116 -8.337 4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.399 -7.211 2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.970 -8.272 2.808 1.00 0.00 H new ATOM 1239 N LEU A 79 -12.854 -3.428 4.010 1.00 0.00 N ATOM 1240 CA LEU A 79 -12.167 -2.349 4.712 1.00 0.00 C ATOM 1241 C LEU A 79 -12.861 -2.032 6.034 1.00 0.00 C ATOM 1242 O LEU A 79 -12.245 -2.085 7.097 1.00 0.00 O ATOM 1243 CB LEU A 79 -12.116 -1.096 3.837 1.00 0.00 C ATOM 1244 CG LEU A 79 -11.065 -0.052 4.219 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -9.665 -0.582 3.952 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -11.301 1.245 3.459 1.00 0.00 C ATOM 0 H LEU A 79 -13.755 -3.165 3.611 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.150 -2.677 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.936 -1.404 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.097 -0.621 3.861 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.156 0.154 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.931 0.174 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.499 -1.483 4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.561 -0.817 2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.544 1.976 3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.238 1.055 2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.290 1.634 3.701 1.00 0.00 H new ATOM 1258 N GLY A 80 -14.147 -1.703 5.958 1.00 0.00 N ATOM 1259 CA GLY A 80 -14.903 -1.385 7.155 1.00 0.00 C ATOM 1260 C GLY A 80 -16.241 -2.095 7.201 1.00 0.00 C ATOM 1261 O GLY A 80 -16.320 -3.265 7.577 1.00 0.00 O ATOM 0 H GLY A 80 -14.678 -1.651 5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.319 -1.660 8.033 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -15.065 -0.308 7.204 1.00 0.00 H new ATOM 1265 N THR A 81 -17.299 -1.386 6.819 1.00 0.00 N ATOM 1266 CA THR A 81 -18.641 -1.954 6.821 1.00 0.00 C ATOM 1267 C THR A 81 -19.220 -2.002 5.412 1.00 0.00 C ATOM 1268 O THR A 81 -19.141 -1.027 4.664 1.00 0.00 O ATOM 1269 CB THR A 81 -19.591 -1.148 7.727 1.00 0.00 C ATOM 1270 OG1 THR A 81 -20.866 -1.796 7.799 1.00 0.00 O ATOM 1271 CG2 THR A 81 -19.766 0.269 7.203 1.00 0.00 C ATOM 0 H THR A 81 -17.252 -0.417 6.504 1.00 0.00 H new ATOM 0 HA THR A 81 -18.554 -2.969 7.210 1.00 0.00 H new ATOM 0 HB THR A 81 -19.152 -1.098 8.723 1.00 0.00 H new ATOM 0 HG1 THR A 81 -21.464 -1.279 8.378 1.00 0.00 H new ATOM 0 HG21 THR A 81 -20.441 0.819 7.859 1.00 0.00 H new ATOM 0 HG22 THR A 81 -18.798 0.769 7.177 1.00 0.00 H new ATOM 0 HG23 THR A 81 -20.185 0.236 6.197 1.00 0.00 H new ATOM 1279 N SER A 82 -19.804 -3.142 5.055 1.00 0.00 N ATOM 1280 CA SER A 82 -20.394 -3.318 3.733 1.00 0.00 C ATOM 1281 C SER A 82 -19.487 -2.738 2.652 1.00 0.00 C ATOM 1282 O SER A 82 -19.951 -2.064 1.733 1.00 0.00 O ATOM 1283 CB SER A 82 -21.769 -2.650 3.673 1.00 0.00 C ATOM 1284 OG SER A 82 -21.649 -1.245 3.537 1.00 0.00 O ATOM 0 H SER A 82 -19.881 -3.957 5.663 1.00 0.00 H new ATOM 0 HA SER A 82 -20.508 -4.387 3.552 1.00 0.00 H new ATOM 0 HB2 SER A 82 -22.336 -3.052 2.833 1.00 0.00 H new ATOM 0 HB3 SER A 82 -22.330 -2.884 4.578 1.00 0.00 H new ATOM 0 HG SER A 82 -21.202 -1.035 2.690 1.00 0.00 H new ATOM 1290 N ALA A 83 -18.191 -3.006 2.770 1.00 0.00 N ATOM 1291 CA ALA A 83 -17.218 -2.514 1.802 1.00 0.00 C ATOM 1292 C ALA A 83 -16.584 -3.664 1.028 1.00 0.00 C ATOM 1293 O ALA A 83 -15.646 -4.304 1.504 1.00 0.00 O ATOM 1294 CB ALA A 83 -16.146 -1.693 2.503 1.00 0.00 C ATOM 0 H ALA A 83 -17.790 -3.561 3.526 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.741 -1.876 1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.426 -1.332 1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -16.609 -0.844 3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.634 -2.314 3.238 1.00 0.00 H new ATOM 1300 N TYR A 84 -17.101 -3.923 -0.168 1.00 0.00 N ATOM 1301 CA TYR A 84 -16.587 -4.998 -1.007 1.00 0.00 C ATOM 1302 C TYR A 84 -15.958 -4.442 -2.281 1.00 0.00 C ATOM 1303 O TYR A 84 -16.512 -3.549 -2.922 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.709 -5.976 -1.364 1.00 0.00 C ATOM 1305 CG TYR A 84 -18.043 -6.945 -0.253 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -18.406 -6.489 1.008 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -17.996 -8.318 -0.464 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -18.711 -7.371 2.027 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -18.301 -9.207 0.547 1.00 0.00 C ATOM 1310 CZ TYR A 84 -18.658 -8.729 1.791 1.00 0.00 C ATOM 1311 OH TYR A 84 -18.962 -9.612 2.803 1.00 0.00 O ATOM 0 H TYR A 84 -17.876 -3.402 -0.578 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.818 -5.527 -0.444 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -18.604 -5.410 -1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -17.420 -6.539 -2.251 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -18.451 -5.426 1.195 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -17.716 -8.696 -1.436 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -18.989 -6.999 3.002 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -18.260 -10.271 0.365 1.00 0.00 H new ATOM 0 HH TYR A 84 -18.878 -10.531 2.472 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.797 -4.978 -2.642 1.00 0.00 N ATOM 1322 CA PHE A 85 -14.091 -4.537 -3.839 1.00 0.00 C ATOM 1323 C PHE A 85 -13.286 -5.681 -4.449 1.00 0.00 C ATOM 1324 O PHE A 85 -12.436 -6.276 -3.788 1.00 0.00 O ATOM 1325 CB PHE A 85 -13.163 -3.366 -3.507 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.889 -2.148 -3.011 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -14.366 -1.199 -3.901 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -14.095 -1.953 -1.655 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -15.033 -0.077 -3.446 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.762 -0.833 -1.194 1.00 0.00 C ATOM 1331 CZ PHE A 85 -15.232 0.105 -2.092 1.00 0.00 C ATOM 0 H PHE A 85 -14.325 -5.718 -2.123 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.833 -4.209 -4.568 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.445 -3.685 -2.751 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.592 -3.102 -4.397 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -14.215 -1.337 -4.961 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.730 -2.685 -0.949 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.398 0.657 -4.149 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.915 -0.692 -0.134 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.755 0.980 -1.735 1.00 0.00 H new ATOM 1341 N GLU A 86 -13.562 -5.982 -5.714 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.865 -7.055 -6.413 1.00 0.00 C ATOM 1343 C GLU A 86 -11.372 -7.032 -6.095 1.00 0.00 C ATOM 1344 O GLU A 86 -10.743 -8.079 -5.943 1.00 0.00 O ATOM 1345 CB GLU A 86 -13.078 -6.934 -7.923 1.00 0.00 C ATOM 1346 CG GLU A 86 -12.282 -7.944 -8.733 1.00 0.00 C ATOM 1347 CD GLU A 86 -11.911 -7.425 -10.109 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -11.826 -6.190 -10.275 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -11.704 -8.255 -11.019 1.00 0.00 O ATOM 0 H GLU A 86 -14.263 -5.498 -6.275 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.277 -8.004 -6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.138 -7.059 -8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.803 -5.928 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.374 -8.205 -8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.864 -8.859 -8.839 1.00 0.00 H new ATOM 1356 N SER A 87 -10.813 -5.830 -5.998 1.00 0.00 N ATOM 1357 CA SER A 87 -9.394 -5.669 -5.703 1.00 0.00 C ATOM 1358 C SER A 87 -9.111 -4.281 -5.137 1.00 0.00 C ATOM 1359 O SER A 87 -9.772 -3.305 -5.495 1.00 0.00 O ATOM 1360 CB SER A 87 -8.560 -5.898 -6.965 1.00 0.00 C ATOM 1361 OG SER A 87 -7.235 -5.425 -6.794 1.00 0.00 O ATOM 0 H SER A 87 -11.321 -4.954 -6.119 1.00 0.00 H new ATOM 0 HA SER A 87 -9.117 -6.411 -4.954 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.542 -6.961 -7.205 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.025 -5.389 -7.809 1.00 0.00 H new ATOM 0 HG SER A 87 -6.643 -6.178 -6.588 1.00 0.00 H new ATOM 1367 N LEU A 88 -8.124 -4.200 -4.252 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.751 -2.931 -3.635 1.00 0.00 C ATOM 1369 C LEU A 88 -7.870 -1.785 -4.634 1.00 0.00 C ATOM 1370 O LEU A 88 -8.297 -0.684 -4.285 1.00 0.00 O ATOM 1371 CB LEU A 88 -6.323 -3.005 -3.093 1.00 0.00 C ATOM 1372 CG LEU A 88 -6.091 -3.988 -1.945 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -4.605 -4.258 -1.766 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -6.697 -3.456 -0.655 1.00 0.00 C ATOM 0 H LEU A 88 -7.567 -4.998 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.436 -2.741 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.658 -3.272 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.031 -2.010 -2.757 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.584 -4.928 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.459 -4.960 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.199 -4.684 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.090 -3.324 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.522 -4.169 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.234 -2.502 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.770 -3.315 -0.788 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.490 -2.050 -5.880 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.556 -1.042 -6.931 1.00 0.00 C ATOM 1388 C VAL A 89 -8.901 -0.323 -6.919 1.00 0.00 C ATOM 1389 O VAL A 89 -8.958 0.905 -6.862 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.333 -1.665 -8.322 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.569 -0.633 -9.414 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.933 -2.251 -8.424 1.00 0.00 C ATOM 0 H VAL A 89 -7.133 -2.955 -6.186 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.761 -0.324 -6.731 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.052 -2.473 -8.459 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.407 -1.092 -10.389 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.593 -0.265 -9.352 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.876 0.199 -9.284 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.792 -2.687 -9.413 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.196 -1.463 -8.267 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.806 -3.023 -7.666 1.00 0.00 H new ATOM 1402 N GLU A 90 -9.980 -1.097 -6.971 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.325 -0.533 -6.966 1.00 0.00 C ATOM 1404 C GLU A 90 -11.589 0.231 -5.671 1.00 0.00 C ATOM 1405 O GLU A 90 -11.997 1.394 -5.695 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.367 -1.639 -7.140 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.196 -2.441 -8.419 1.00 0.00 C ATOM 1408 CD GLU A 90 -12.522 -1.635 -9.661 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -11.760 -0.698 -9.976 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -13.539 -1.941 -10.317 1.00 0.00 O ATOM 0 H GLU A 90 -9.949 -2.116 -7.017 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.403 0.163 -7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.312 -2.315 -6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.362 -1.194 -7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.169 -2.801 -8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.840 -3.320 -8.381 1.00 0.00 H new ATOM 1417 N LEU A 91 -11.355 -0.429 -4.543 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.568 0.186 -3.238 1.00 0.00 C ATOM 1419 C LEU A 91 -11.020 1.610 -3.211 1.00 0.00 C ATOM 1420 O LEU A 91 -11.636 2.512 -2.643 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.902 -0.649 -2.143 1.00 0.00 C ATOM 1422 CG LEU A 91 -11.040 -0.118 -0.716 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -11.042 -1.266 0.282 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -9.921 0.863 -0.401 1.00 0.00 C ATOM 0 H LEU A 91 -11.017 -1.391 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.642 0.225 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -11.320 -1.655 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.841 -0.736 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.991 0.409 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.141 -0.869 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.879 -1.931 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.107 -1.821 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.036 1.230 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.959 0.361 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.966 1.702 -1.096 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.860 1.804 -3.831 1.00 0.00 N ATOM 1437 CA VAL A 92 -9.231 3.118 -3.881 1.00 0.00 C ATOM 1438 C VAL A 92 -9.943 4.030 -4.874 1.00 0.00 C ATOM 1439 O VAL A 92 -10.166 5.210 -4.600 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.745 3.014 -4.271 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -7.180 4.389 -4.595 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.948 2.351 -3.157 1.00 0.00 C ATOM 0 H VAL A 92 -9.337 1.068 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.307 3.544 -2.881 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.664 2.395 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.129 4.295 -4.868 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.734 4.823 -5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.272 5.035 -3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.900 2.285 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.035 2.943 -2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.338 1.349 -2.977 1.00 0.00 H new ATOM 1452 N SER A 93 -10.297 3.477 -6.029 1.00 0.00 N ATOM 1453 CA SER A 93 -10.981 4.241 -7.066 1.00 0.00 C ATOM 1454 C SER A 93 -12.251 4.886 -6.517 1.00 0.00 C ATOM 1455 O SER A 93 -12.570 6.029 -6.842 1.00 0.00 O ATOM 1456 CB SER A 93 -11.326 3.338 -8.251 1.00 0.00 C ATOM 1457 OG SER A 93 -11.607 4.103 -9.410 1.00 0.00 O ATOM 0 H SER A 93 -10.121 2.502 -6.271 1.00 0.00 H new ATOM 0 HA SER A 93 -10.309 5.030 -7.404 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.495 2.661 -8.451 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.188 2.719 -8.002 1.00 0.00 H new ATOM 0 HG SER A 93 -11.823 3.503 -10.154 1.00 0.00 H new ATOM 1463 N TYR A 94 -12.970 4.144 -5.683 1.00 0.00 N ATOM 1464 CA TYR A 94 -14.206 4.640 -5.090 1.00 0.00 C ATOM 1465 C TYR A 94 -13.939 5.862 -4.216 1.00 0.00 C ATOM 1466 O TYR A 94 -14.446 6.952 -4.480 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.876 3.543 -4.261 1.00 0.00 C ATOM 1468 CG TYR A 94 -16.339 3.802 -3.982 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -16.731 4.674 -2.974 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -17.330 3.175 -4.727 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -18.067 4.914 -2.715 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -18.668 3.410 -4.477 1.00 0.00 C ATOM 1473 CZ TYR A 94 -19.031 4.280 -3.470 1.00 0.00 C ATOM 1474 OH TYR A 94 -20.363 4.515 -3.216 1.00 0.00 O ATOM 0 H TYR A 94 -12.718 3.196 -5.402 1.00 0.00 H new ATOM 0 HA TYR A 94 -14.875 4.933 -5.899 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -14.778 2.592 -4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -14.347 3.441 -3.314 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -15.978 5.173 -2.382 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -17.049 2.492 -5.515 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -18.354 5.594 -1.926 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.426 2.915 -5.067 1.00 0.00 H new ATOM 0 HH TYR A 94 -20.912 3.992 -3.837 1.00 0.00 H new ATOM 1484 N TYR A 95 -13.137 5.671 -3.174 1.00 0.00 N ATOM 1485 CA TYR A 95 -12.802 6.756 -2.259 1.00 0.00 C ATOM 1486 C TYR A 95 -12.209 7.942 -3.013 1.00 0.00 C ATOM 1487 O TYR A 95 -12.535 9.095 -2.733 1.00 0.00 O ATOM 1488 CB TYR A 95 -11.816 6.268 -1.196 1.00 0.00 C ATOM 1489 CG TYR A 95 -12.395 5.226 -0.266 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -13.469 5.525 0.563 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -11.866 3.942 -0.215 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -14.001 4.577 1.414 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -12.392 2.986 0.633 1.00 0.00 C ATOM 1494 CZ TYR A 95 -13.459 3.308 1.446 1.00 0.00 C ATOM 1495 OH TYR A 95 -13.985 2.360 2.292 1.00 0.00 O ATOM 0 H TYR A 95 -12.707 4.776 -2.942 1.00 0.00 H new ATOM 0 HA TYR A 95 -13.720 7.082 -1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.937 5.854 -1.690 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.478 7.121 -0.607 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.895 6.517 0.541 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.030 3.687 -0.849 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -14.837 4.827 2.051 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -11.970 1.992 0.659 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.663 1.473 2.030 1.00 0.00 H new ATOM 1505 N GLU A 96 -11.336 7.648 -3.972 1.00 0.00 N ATOM 1506 CA GLU A 96 -10.697 8.689 -4.767 1.00 0.00 C ATOM 1507 C GLU A 96 -11.671 9.828 -5.057 1.00 0.00 C ATOM 1508 O GLU A 96 -11.268 10.980 -5.215 1.00 0.00 O ATOM 1509 CB GLU A 96 -10.170 8.108 -6.081 1.00 0.00 C ATOM 1510 CG GLU A 96 -8.741 7.598 -5.991 1.00 0.00 C ATOM 1511 CD GLU A 96 -8.064 7.518 -7.346 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -8.775 7.315 -8.352 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -6.825 7.657 -7.399 1.00 0.00 O ATOM 0 H GLU A 96 -11.056 6.698 -4.216 1.00 0.00 H new ATOM 0 HA GLU A 96 -9.860 9.086 -4.192 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.820 7.290 -6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.226 8.873 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.165 8.255 -5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.740 6.611 -5.529 1.00 0.00 H new ATOM 1520 N LYS A 97 -12.955 9.496 -5.126 1.00 0.00 N ATOM 1521 CA LYS A 97 -13.989 10.489 -5.396 1.00 0.00 C ATOM 1522 C LYS A 97 -14.852 10.725 -4.161 1.00 0.00 C ATOM 1523 O LYS A 97 -15.198 11.863 -3.841 1.00 0.00 O ATOM 1524 CB LYS A 97 -14.866 10.036 -6.565 1.00 0.00 C ATOM 1525 CG LYS A 97 -14.234 10.271 -7.926 1.00 0.00 C ATOM 1526 CD LYS A 97 -14.514 11.674 -8.437 1.00 0.00 C ATOM 1527 CE LYS A 97 -13.753 11.962 -9.722 1.00 0.00 C ATOM 1528 NZ LYS A 97 -14.313 13.135 -10.448 1.00 0.00 N ATOM 0 H LYS A 97 -13.305 8.547 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.498 11.426 -5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.085 8.974 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.818 10.564 -6.520 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.157 10.115 -7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.619 9.540 -8.638 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.583 11.792 -8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.234 12.402 -7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.704 12.146 -9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.787 11.085 -10.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.767 13.298 -11.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.307 12.950 -10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.257 13.978 -9.841 1.00 0.00 H new ATOM 1542 N HIS A 98 -15.196 9.643 -3.468 1.00 0.00 N ATOM 1543 CA HIS A 98 -16.017 9.734 -2.266 1.00 0.00 C ATOM 1544 C HIS A 98 -15.144 9.828 -1.018 1.00 0.00 C ATOM 1545 O HIS A 98 -14.110 9.168 -0.921 1.00 0.00 O ATOM 1546 CB HIS A 98 -16.944 8.523 -2.164 1.00 0.00 C ATOM 1547 CG HIS A 98 -17.991 8.478 -3.234 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -19.305 8.835 -3.017 1.00 0.00 N ATOM 1549 CD2 HIS A 98 -17.911 8.118 -4.537 1.00 0.00 C ATOM 1550 CE1 HIS A 98 -19.989 8.694 -4.138 1.00 0.00 C ATOM 1551 NE2 HIS A 98 -19.166 8.260 -5.076 1.00 0.00 N ATOM 0 H HIS A 98 -14.919 8.694 -3.719 1.00 0.00 H new ATOM 0 HA HIS A 98 -16.620 10.639 -2.335 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -16.346 7.613 -2.214 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -17.432 8.531 -1.190 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -17.025 7.782 -5.056 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -21.042 8.899 -4.266 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -19.421 8.062 -6.044 1.00 0.00 H new ATOM 1560 N ALA A 99 -15.569 10.653 -0.066 1.00 0.00 N ATOM 1561 CA ALA A 99 -14.827 10.832 1.176 1.00 0.00 C ATOM 1562 C ALA A 99 -14.503 9.488 1.821 1.00 0.00 C ATOM 1563 O ALA A 99 -15.354 8.601 1.890 1.00 0.00 O ATOM 1564 CB ALA A 99 -15.615 11.706 2.140 1.00 0.00 C ATOM 0 H ALA A 99 -16.423 11.207 -0.131 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.886 11.328 0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -15.049 11.831 3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.790 12.682 1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.571 11.232 2.362 1.00 0.00 H new ATOM 1570 N LEU A 100 -13.269 9.345 2.290 1.00 0.00 N ATOM 1571 CA LEU A 100 -12.832 8.109 2.930 1.00 0.00 C ATOM 1572 C LEU A 100 -12.815 8.257 4.447 1.00 0.00 C ATOM 1573 O LEU A 100 -13.457 7.489 5.164 1.00 0.00 O ATOM 1574 CB LEU A 100 -11.442 7.716 2.428 1.00 0.00 C ATOM 1575 CG LEU A 100 -10.698 6.672 3.262 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -11.099 5.267 2.840 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -9.193 6.860 3.133 1.00 0.00 C ATOM 0 H LEU A 100 -12.553 10.070 2.239 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.541 7.323 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.539 7.337 1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.828 8.615 2.377 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.973 6.808 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.560 4.538 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.171 5.136 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.854 5.119 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.680 6.109 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.901 6.752 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.919 7.855 3.485 1.00 0.00 H new ATOM 1589 N TYR A 101 -12.078 9.251 4.931 1.00 0.00 N ATOM 1590 CA TYR A 101 -11.976 9.501 6.364 1.00 0.00 C ATOM 1591 C TYR A 101 -12.501 10.890 6.713 1.00 0.00 C ATOM 1592 O TYR A 101 -12.661 11.743 5.840 1.00 0.00 O ATOM 1593 CB TYR A 101 -10.525 9.360 6.826 1.00 0.00 C ATOM 1594 CG TYR A 101 -10.344 9.535 8.317 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -11.139 8.839 9.219 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -9.378 10.395 8.823 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -10.978 8.996 10.582 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -9.209 10.557 10.184 1.00 0.00 C ATOM 1599 CZ TYR A 101 -10.011 9.856 11.060 1.00 0.00 C ATOM 1600 OH TYR A 101 -9.847 10.014 12.417 1.00 0.00 O ATOM 0 H TYR A 101 -11.542 9.897 4.351 1.00 0.00 H new ATOM 0 HA TYR A 101 -12.587 8.761 6.881 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -10.154 8.377 6.537 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -9.914 10.097 6.305 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -11.896 8.164 8.848 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.748 10.946 8.141 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -11.606 8.449 11.270 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.452 11.229 10.561 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.095 9.184 12.875 1.00 0.00 H new ATOM 1610 N ARG A 102 -12.765 11.109 7.997 1.00 0.00 N ATOM 1611 CA ARG A 102 -13.272 12.394 8.464 1.00 0.00 C ATOM 1612 C ARG A 102 -12.726 13.536 7.611 1.00 0.00 C ATOM 1613 O ARG A 102 -11.520 13.780 7.580 1.00 0.00 O ATOM 1614 CB ARG A 102 -12.896 12.613 9.930 1.00 0.00 C ATOM 1615 CG ARG A 102 -13.963 13.341 10.731 1.00 0.00 C ATOM 1616 CD ARG A 102 -15.043 12.386 11.216 1.00 0.00 C ATOM 1617 NE ARG A 102 -15.633 12.823 12.479 1.00 0.00 N ATOM 1618 CZ ARG A 102 -16.825 12.426 12.910 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -17.550 11.587 12.183 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -17.293 12.868 14.070 1.00 0.00 N ATOM 0 H ARG A 102 -12.636 10.414 8.732 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.358 12.382 8.373 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -12.702 11.646 10.395 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -11.967 13.182 9.977 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.503 13.837 11.586 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.414 14.120 10.116 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -15.824 12.307 10.459 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -14.617 11.390 11.340 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.100 13.469 13.062 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -17.193 11.245 11.291 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -18.465 11.283 12.516 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.737 13.513 14.632 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -18.208 12.563 14.400 1.00 0.00 H new ATOM 1634 N LYS A 103 -13.622 14.233 6.921 1.00 0.00 N ATOM 1635 CA LYS A 103 -13.232 15.350 6.069 1.00 0.00 C ATOM 1636 C LYS A 103 -11.871 15.097 5.430 1.00 0.00 C ATOM 1637 O LYS A 103 -10.998 15.965 5.442 1.00 0.00 O ATOM 1638 CB LYS A 103 -13.194 16.648 6.879 1.00 0.00 C ATOM 1639 CG LYS A 103 -14.490 16.944 7.614 1.00 0.00 C ATOM 1640 CD LYS A 103 -15.528 17.557 6.688 1.00 0.00 C ATOM 1641 CE LYS A 103 -16.881 17.678 7.372 1.00 0.00 C ATOM 1642 NZ LYS A 103 -16.929 18.836 8.307 1.00 0.00 N ATOM 0 H LYS A 103 -14.624 14.044 6.935 1.00 0.00 H new ATOM 0 HA LYS A 103 -13.974 15.446 5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.381 16.591 7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.968 17.478 6.209 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.884 16.023 8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -14.293 17.625 8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.193 18.543 6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.625 16.944 5.792 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -17.660 17.788 6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.094 16.760 7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.867 18.884 8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.202 18.719 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.751 19.715 7.780 1.00 0.00 H new ATOM 1656 N MET A 104 -11.697 13.904 4.871 1.00 0.00 N ATOM 1657 CA MET A 104 -10.442 13.538 4.224 1.00 0.00 C ATOM 1658 C MET A 104 -10.650 12.387 3.245 1.00 0.00 C ATOM 1659 O MET A 104 -11.544 11.560 3.426 1.00 0.00 O ATOM 1660 CB MET A 104 -9.398 13.150 5.273 1.00 0.00 C ATOM 1661 CG MET A 104 -7.967 13.419 4.835 1.00 0.00 C ATOM 1662 SD MET A 104 -6.789 12.264 5.562 1.00 0.00 S ATOM 1663 CE MET A 104 -6.874 10.911 4.391 1.00 0.00 C ATOM 0 H MET A 104 -12.409 13.174 4.853 1.00 0.00 H new ATOM 0 HA MET A 104 -10.083 14.403 3.667 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.597 13.700 6.193 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.505 12.091 5.506 1.00 0.00 H new ATOM 0 HG2 MET A 104 -7.906 13.358 3.748 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.691 14.436 5.113 1.00 0.00 H new ATOM 0 HE1 MET A 104 -7.333 10.045 4.868 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.472 11.211 3.531 1.00 0.00 H new ATOM 0 HE3 MET A 104 -5.868 10.652 4.061 1.00 0.00 H new ATOM 1673 N ARG A 105 -9.819 12.340 2.209 1.00 0.00 N ATOM 1674 CA ARG A 105 -9.913 11.291 1.201 1.00 0.00 C ATOM 1675 C ARG A 105 -8.598 11.150 0.439 1.00 0.00 C ATOM 1676 O ARG A 105 -7.716 12.004 0.538 1.00 0.00 O ATOM 1677 CB ARG A 105 -11.051 11.593 0.225 1.00 0.00 C ATOM 1678 CG ARG A 105 -10.811 12.829 -0.627 1.00 0.00 C ATOM 1679 CD ARG A 105 -11.513 12.723 -1.972 1.00 0.00 C ATOM 1680 NE ARG A 105 -10.661 12.112 -2.988 1.00 0.00 N ATOM 1681 CZ ARG A 105 -9.803 12.796 -3.737 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -9.684 14.108 -3.583 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -9.062 12.169 -4.641 1.00 0.00 N ATOM 0 H ARG A 105 -9.073 13.016 2.046 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.121 10.350 1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -11.195 10.733 -0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.976 11.724 0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.168 13.712 -0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -9.741 12.962 -0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.423 12.134 -1.860 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -11.815 13.717 -2.302 1.00 0.00 H new ATOM 0 HE ARG A 105 -10.728 11.104 -3.131 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -10.252 14.594 -2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -9.025 14.631 -4.159 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.150 11.160 -4.762 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -8.404 12.696 -5.215 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.475 10.067 -0.321 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.268 9.814 -1.100 1.00 0.00 C ATOM 1699 C LEU A 106 -7.130 10.824 -2.235 1.00 0.00 C ATOM 1700 O LEU A 106 -7.616 10.597 -3.343 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.292 8.393 -1.667 1.00 0.00 C ATOM 1702 CG LEU A 106 -7.744 7.294 -0.704 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -7.808 5.953 -1.417 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -6.809 7.218 0.495 1.00 0.00 C ATOM 0 H LEU A 106 -9.195 9.351 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.409 9.920 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.950 8.381 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.291 8.148 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.744 7.540 -0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.131 5.183 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.517 6.013 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.821 5.699 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.146 6.431 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.798 6.996 0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.813 8.173 1.021 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.463 11.938 -1.951 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.261 12.982 -2.948 1.00 0.00 C ATOM 1718 C ARG A 107 -4.924 12.801 -3.661 1.00 0.00 C ATOM 1719 O ARG A 107 -4.840 12.916 -4.884 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.317 14.362 -2.291 1.00 0.00 C ATOM 1721 CG ARG A 107 -5.893 15.494 -3.213 1.00 0.00 C ATOM 1722 CD ARG A 107 -7.061 16.003 -4.043 1.00 0.00 C ATOM 1723 NE ARG A 107 -7.298 15.173 -5.221 1.00 0.00 N ATOM 1724 CZ ARG A 107 -8.033 15.561 -6.258 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -8.600 16.760 -6.261 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -8.203 14.750 -7.294 1.00 0.00 N ATOM 0 H ARG A 107 -6.054 12.141 -1.039 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.060 12.905 -3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.333 14.549 -1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.675 14.362 -1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.482 16.312 -2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.099 15.148 -3.874 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.961 16.025 -3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.864 17.028 -4.356 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.876 14.245 -5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.472 17.387 -5.466 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.164 17.056 -7.058 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.769 13.827 -7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.768 15.050 -8.089 1.00 0.00 H new ATOM 1740 N TYR A 108 -3.881 12.517 -2.888 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.547 12.323 -3.445 1.00 0.00 C ATOM 1742 C TYR A 108 -1.982 10.964 -3.043 1.00 0.00 C ATOM 1743 O TYR A 108 -1.483 10.774 -1.933 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.609 13.437 -2.978 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.066 14.821 -3.380 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -1.735 15.349 -4.622 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -2.828 15.600 -2.519 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -2.149 16.614 -4.994 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.248 16.865 -2.883 1.00 0.00 C ATOM 1750 CZ TYR A 108 -2.905 17.368 -4.121 1.00 0.00 C ATOM 1751 OH TYR A 108 -3.321 18.627 -4.488 1.00 0.00 O ATOM 0 H TYR A 108 -3.934 12.416 -1.874 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.626 12.357 -4.532 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.519 13.394 -1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.615 13.259 -3.387 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.144 14.761 -5.308 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.097 15.210 -1.548 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.882 17.010 -5.963 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.842 17.457 -2.202 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.844 19.024 -3.761 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.059 9.995 -3.967 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.559 8.637 -3.734 1.00 0.00 C ATOM 1763 C PRO A 109 -0.037 8.584 -3.664 1.00 0.00 C ATOM 1764 O PRO A 109 0.640 8.517 -4.691 1.00 0.00 O ATOM 1765 CB PRO A 109 -2.066 7.859 -4.951 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.232 8.887 -6.016 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.640 10.151 -5.311 1.00 0.00 C ATOM 0 HA PRO A 109 -1.901 8.234 -2.781 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.356 7.088 -5.252 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -3.009 7.357 -4.735 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.303 9.030 -6.568 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.989 8.582 -6.739 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.252 11.036 -5.816 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.724 10.256 -5.270 1.00 0.00 H new ATOM 1775 N VAL A 110 0.496 8.612 -2.447 1.00 0.00 N ATOM 1776 CA VAL A 110 1.939 8.566 -2.243 1.00 0.00 C ATOM 1777 C VAL A 110 2.610 7.659 -3.270 1.00 0.00 C ATOM 1778 O VAL A 110 2.244 6.493 -3.419 1.00 0.00 O ATOM 1779 CB VAL A 110 2.291 8.069 -0.828 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.796 7.921 -0.673 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.728 9.014 0.223 1.00 0.00 C ATOM 0 H VAL A 110 -0.050 8.666 -1.587 1.00 0.00 H new ATOM 0 HA VAL A 110 2.309 9.584 -2.364 1.00 0.00 H new ATOM 0 HB VAL A 110 1.838 7.089 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.025 7.569 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.168 7.202 -1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.275 8.886 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.986 8.648 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 110 2.151 10.009 0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.644 9.063 0.125 1.00 0.00 H new ATOM 1791 N THR A 111 3.596 8.203 -3.976 1.00 0.00 N ATOM 1792 CA THR A 111 4.319 7.444 -4.989 1.00 0.00 C ATOM 1793 C THR A 111 5.825 7.525 -4.767 1.00 0.00 C ATOM 1794 O THR A 111 6.336 8.461 -4.151 1.00 0.00 O ATOM 1795 CB THR A 111 3.993 7.949 -6.408 1.00 0.00 C ATOM 1796 OG1 THR A 111 3.981 9.381 -6.427 1.00 0.00 O ATOM 1797 CG2 THR A 111 2.646 7.419 -6.875 1.00 0.00 C ATOM 0 H THR A 111 3.912 9.166 -3.865 1.00 0.00 H new ATOM 0 HA THR A 111 3.996 6.407 -4.897 1.00 0.00 H new ATOM 0 HB THR A 111 4.764 7.583 -7.086 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.775 9.694 -7.332 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.438 7.789 -7.879 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.668 6.329 -6.887 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.866 7.759 -6.194 1.00 0.00 H new ATOM 1805 N PRO A 112 6.554 6.523 -5.279 1.00 0.00 N ATOM 1806 CA PRO A 112 8.013 6.459 -5.150 1.00 0.00 C ATOM 1807 C PRO A 112 8.716 7.526 -5.982 1.00 0.00 C ATOM 1808 O PRO A 112 9.935 7.678 -5.909 1.00 0.00 O ATOM 1809 CB PRO A 112 8.354 5.061 -5.674 1.00 0.00 C ATOM 1810 CG PRO A 112 7.237 4.720 -6.598 1.00 0.00 C ATOM 1811 CD PRO A 112 6.011 5.375 -6.025 1.00 0.00 C ATOM 0 HA PRO A 112 8.340 6.637 -4.126 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.313 5.056 -6.193 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.428 4.340 -4.860 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.439 5.084 -7.605 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.105 3.640 -6.669 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.323 5.694 -6.808 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.460 4.697 -5.373 1.00 0.00 H new ATOM 1819 N GLU A 113 7.939 8.262 -6.771 1.00 0.00 N ATOM 1820 CA GLU A 113 8.489 9.315 -7.616 1.00 0.00 C ATOM 1821 C GLU A 113 8.294 10.686 -6.974 1.00 0.00 C ATOM 1822 O GLU A 113 9.053 11.620 -7.236 1.00 0.00 O ATOM 1823 CB GLU A 113 7.830 9.288 -8.997 1.00 0.00 C ATOM 1824 CG GLU A 113 8.520 8.359 -9.982 1.00 0.00 C ATOM 1825 CD GLU A 113 7.734 8.186 -11.268 1.00 0.00 C ATOM 1826 OE1 GLU A 113 6.772 7.389 -11.271 1.00 0.00 O ATOM 1827 OE2 GLU A 113 8.082 8.845 -12.269 1.00 0.00 O ATOM 0 H GLU A 113 6.928 8.148 -6.842 1.00 0.00 H new ATOM 0 HA GLU A 113 9.558 9.134 -7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 113 6.790 8.981 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 113 7.823 10.298 -9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.509 8.752 -10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.666 7.385 -9.516 1.00 0.00 H new ATOM 1834 N LEU A 114 7.272 10.798 -6.133 1.00 0.00 N ATOM 1835 CA LEU A 114 6.976 12.055 -5.453 1.00 0.00 C ATOM 1836 C LEU A 114 8.020 12.354 -4.383 1.00 0.00 C ATOM 1837 O LEU A 114 8.539 13.468 -4.300 1.00 0.00 O ATOM 1838 CB LEU A 114 5.583 12.000 -4.823 1.00 0.00 C ATOM 1839 CG LEU A 114 5.024 13.329 -4.314 1.00 0.00 C ATOM 1840 CD1 LEU A 114 4.272 14.050 -5.421 1.00 0.00 C ATOM 1841 CD2 LEU A 114 4.119 13.101 -3.112 1.00 0.00 C ATOM 0 H LEU A 114 6.635 10.035 -5.905 1.00 0.00 H new ATOM 0 HA LEU A 114 7.002 12.855 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 114 4.889 11.595 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.610 11.297 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 114 5.858 13.957 -4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.881 14.994 -5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.949 14.246 -6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.446 13.428 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.730 14.057 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.289 12.455 -3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.689 12.627 -2.312 1.00 0.00 H new ATOM 1853 N LEU A 115 8.326 11.352 -3.566 1.00 0.00 N ATOM 1854 CA LEU A 115 9.311 11.507 -2.501 1.00 0.00 C ATOM 1855 C LEU A 115 10.591 12.145 -3.032 1.00 0.00 C ATOM 1856 O LEU A 115 11.114 13.091 -2.444 1.00 0.00 O ATOM 1857 CB LEU A 115 9.627 10.150 -1.870 1.00 0.00 C ATOM 1858 CG LEU A 115 8.754 9.741 -0.684 1.00 0.00 C ATOM 1859 CD1 LEU A 115 8.931 10.716 0.470 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.292 9.663 -1.099 1.00 0.00 C ATOM 0 H LEU A 115 7.906 10.424 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 115 8.888 12.164 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.539 9.384 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.667 10.157 -1.544 1.00 0.00 H new ATOM 0 HG LEU A 115 9.069 8.753 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.302 10.409 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.975 10.722 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.644 11.717 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.686 9.370 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.964 10.638 -1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.178 8.925 -1.893 1.00 0.00 H new ATOM 1872 N GLU A 116 11.089 11.620 -4.147 1.00 0.00 N ATOM 1873 CA GLU A 116 12.307 12.140 -4.757 1.00 0.00 C ATOM 1874 C GLU A 116 12.098 13.565 -5.261 1.00 0.00 C ATOM 1875 O GLU A 116 12.923 14.447 -5.021 1.00 0.00 O ATOM 1876 CB GLU A 116 12.751 11.238 -5.911 1.00 0.00 C ATOM 1877 CG GLU A 116 13.332 9.910 -5.458 1.00 0.00 C ATOM 1878 CD GLU A 116 14.000 9.150 -6.587 1.00 0.00 C ATOM 1879 OE1 GLU A 116 13.463 9.170 -7.714 1.00 0.00 O ATOM 1880 OE2 GLU A 116 15.059 8.534 -6.344 1.00 0.00 O ATOM 0 H GLU A 116 10.668 10.836 -4.646 1.00 0.00 H new ATOM 0 HA GLU A 116 13.087 12.154 -3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.897 11.048 -6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.495 11.766 -6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 116 14.058 10.087 -4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.538 9.297 -5.032 1.00 0.00 H new ATOM 1887 N ARG A 117 10.990 13.782 -5.961 1.00 0.00 N ATOM 1888 CA ARG A 117 10.673 15.098 -6.501 1.00 0.00 C ATOM 1889 C ARG A 117 10.552 16.130 -5.383 1.00 0.00 C ATOM 1890 O ARG A 117 10.800 17.318 -5.591 1.00 0.00 O ATOM 1891 CB ARG A 117 9.370 15.044 -7.303 1.00 0.00 C ATOM 1892 CG ARG A 117 8.778 16.413 -7.595 1.00 0.00 C ATOM 1893 CD ARG A 117 7.850 16.372 -8.799 1.00 0.00 C ATOM 1894 NE ARG A 117 7.117 17.624 -8.967 1.00 0.00 N ATOM 1895 CZ ARG A 117 7.608 18.684 -9.600 1.00 0.00 C ATOM 1896 NH1 ARG A 117 8.826 18.642 -10.123 1.00 0.00 N ATOM 1897 NH2 ARG A 117 6.880 19.787 -9.713 1.00 0.00 N ATOM 0 H ARG A 117 10.296 13.063 -6.168 1.00 0.00 H new ATOM 0 HA ARG A 117 11.486 15.397 -7.162 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.554 14.529 -8.246 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.639 14.451 -6.753 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.229 16.767 -6.723 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.581 17.127 -7.777 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.431 16.169 -9.698 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.143 15.550 -8.684 1.00 0.00 H new ATOM 0 HE ARG A 117 6.177 17.688 -8.577 1.00 0.00 H new ATOM 0 HH11 ARG A 117 9.388 17.795 -10.040 1.00 0.00 H new ATOM 0 HH12 ARG A 117 9.201 19.457 -10.609 1.00 0.00 H new ATOM 0 HH21 ARG A 117 5.942 19.822 -9.314 1.00 0.00 H new ATOM 0 HH22 ARG A 117 7.258 20.600 -10.199 1.00 0.00 H new ATOM 1911 N TYR A 118 10.169 15.667 -4.198 1.00 0.00 N ATOM 1912 CA TYR A 118 10.012 16.550 -3.048 1.00 0.00 C ATOM 1913 C TYR A 118 11.271 16.549 -2.185 1.00 0.00 C ATOM 1914 O TYR A 118 11.212 16.798 -0.981 1.00 0.00 O ATOM 1915 CB TYR A 118 8.806 16.121 -2.211 1.00 0.00 C ATOM 1916 CG TYR A 118 7.477 16.482 -2.834 1.00 0.00 C ATOM 1917 CD1 TYR A 118 7.227 16.230 -4.178 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.472 17.076 -2.081 1.00 0.00 C ATOM 1919 CE1 TYR A 118 6.014 16.558 -4.752 1.00 0.00 C ATOM 1920 CE2 TYR A 118 5.256 17.406 -2.647 1.00 0.00 C ATOM 1921 CZ TYR A 118 5.032 17.146 -3.983 1.00 0.00 C ATOM 1922 OH TYR A 118 3.822 17.475 -4.551 1.00 0.00 O ATOM 0 H TYR A 118 9.962 14.686 -4.009 1.00 0.00 H new ATOM 0 HA TYR A 118 9.848 17.562 -3.418 1.00 0.00 H new ATOM 0 HB2 TYR A 118 8.845 15.042 -2.059 1.00 0.00 H new ATOM 0 HB3 TYR A 118 8.874 16.584 -1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.994 15.770 -4.784 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.644 17.283 -1.035 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.836 16.355 -5.798 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.485 17.865 -2.047 1.00 0.00 H new ATOM 0 HH TYR A 118 3.242 17.880 -3.873 1.00 0.00 H new ATOM 1932 N SER A 119 12.409 16.268 -2.811 1.00 0.00 N ATOM 1933 CA SER A 119 13.683 16.232 -2.102 1.00 0.00 C ATOM 1934 C SER A 119 14.256 17.637 -1.941 1.00 0.00 C ATOM 1935 O SER A 119 14.700 18.018 -0.860 1.00 0.00 O ATOM 1936 CB SER A 119 14.681 15.344 -2.848 1.00 0.00 C ATOM 1937 OG SER A 119 14.393 13.971 -2.643 1.00 0.00 O ATOM 0 H SER A 119 12.475 16.062 -3.808 1.00 0.00 H new ATOM 0 HA SER A 119 13.507 15.815 -1.110 1.00 0.00 H new ATOM 0 HB2 SER A 119 14.649 15.571 -3.914 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.693 15.562 -2.506 1.00 0.00 H new ATOM 0 HG SER A 119 15.043 13.424 -3.131 1.00 0.00 H new