USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 644 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 18 THR OG1 : rot 180:sc= 0.0555 USER MOD Set 1.2: A 28 ASN : amide:sc= -2.94 K(o=-2.9,f=-1.1) USER MOD Set 2.1: A 14 GLN : amide:sc= -0.0608 X(o=-0.061,f=0) USER MOD Set 2.2: A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -170:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -96:sc= 0.412 USER MOD Single : A 24 SER OG : rot 180:sc= -0.375 USER MOD Single : A 38 SER OG : rot 180:sc= -0.066 USER MOD Single : A 64 MET CE :methyl -154:sc= -0.125 (180deg=-0.556) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -1.65 K(o=-1.7,f=-3.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 48:sc= 0.446 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0561 K(o=-0.056,f=-1.4!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00772 USER MOD Single : A 105 THR OG1 : rot 163:sc= 1.33 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 11 -0.468 -11.354 8.139 1.00 0.00 N ATOM 116 CA ARG A 11 -1.143 -10.142 8.587 1.00 0.00 C ATOM 117 C ARG A 11 -0.353 -8.900 8.185 1.00 0.00 C ATOM 118 O ARG A 11 0.715 -8.999 7.580 1.00 0.00 O ATOM 119 CB ARG A 11 -1.332 -10.170 10.105 1.00 0.00 C ATOM 120 CG ARG A 11 -1.555 -11.565 10.666 1.00 0.00 C ATOM 121 CD ARG A 11 -0.241 -12.306 10.856 1.00 0.00 C ATOM 122 NE ARG A 11 -0.389 -13.468 11.728 1.00 0.00 N ATOM 123 CZ ARG A 11 0.638 -14.142 12.235 1.00 0.00 C ATOM 124 NH1 ARG A 11 1.880 -13.771 11.958 1.00 0.00 N ATOM 125 NH2 ARG A 11 0.422 -15.189 13.021 1.00 0.00 N ATOM 0 HA ARG A 11 -2.121 -10.101 8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.454 -9.733 10.580 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.183 -9.542 10.368 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.076 -11.495 11.621 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.199 -12.131 9.992 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.138 -12.627 9.886 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.500 -11.628 11.279 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.332 -13.779 11.961 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.049 -12.966 11.354 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.666 -14.290 12.348 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.533 -15.477 13.236 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.211 -15.706 13.410 1.00 0.00 H new ATOM 139 N LEU A 12 -0.886 -7.731 8.525 1.00 0.00 N ATOM 140 CA LEU A 12 -0.232 -6.469 8.199 1.00 0.00 C ATOM 141 C LEU A 12 0.544 -5.933 9.398 1.00 0.00 C ATOM 142 O LEU A 12 0.310 -6.342 10.535 1.00 0.00 O ATOM 143 CB LEU A 12 -1.267 -5.438 7.744 1.00 0.00 C ATOM 144 CG LEU A 12 -1.737 -5.554 6.294 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.123 -4.951 6.133 1.00 0.00 C ATOM 146 CD2 LEU A 12 -0.746 -4.877 5.357 1.00 0.00 C ATOM 0 H LEU A 12 -1.769 -7.631 9.026 1.00 0.00 H new ATOM 0 HA LEU A 12 0.471 -6.651 7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.138 -5.516 8.395 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.848 -4.443 7.890 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.791 -6.611 6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.441 -5.043 5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.827 -5.480 6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.096 -3.898 6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.096 -4.969 4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.661 -3.822 5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.229 -5.354 5.452 1.00 0.00 H new ATOM 158 N SER A 13 1.467 -5.013 9.135 1.00 0.00 N ATOM 159 CA SER A 13 2.279 -4.421 10.192 1.00 0.00 C ATOM 160 C SER A 13 1.668 -3.109 10.676 1.00 0.00 C ATOM 161 O SER A 13 0.632 -2.673 10.176 1.00 0.00 O ATOM 162 CB SER A 13 3.705 -4.179 9.694 1.00 0.00 C ATOM 163 OG SER A 13 4.640 -4.280 10.755 1.00 0.00 O ATOM 0 H SER A 13 1.671 -4.662 8.199 1.00 0.00 H new ATOM 0 HA SER A 13 2.307 -5.119 11.028 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.951 -4.904 8.918 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.772 -3.191 9.239 1.00 0.00 H new ATOM 0 HG SER A 13 5.544 -4.123 10.411 1.00 0.00 H new ATOM 169 N GLN A 14 2.319 -2.486 11.654 1.00 0.00 N ATOM 170 CA GLN A 14 1.840 -1.225 12.207 1.00 0.00 C ATOM 171 C GLN A 14 1.732 -0.160 11.120 1.00 0.00 C ATOM 172 O GLN A 14 2.742 0.317 10.601 1.00 0.00 O ATOM 173 CB GLN A 14 2.774 -0.743 13.318 1.00 0.00 C ATOM 174 CG GLN A 14 4.231 -1.114 13.091 1.00 0.00 C ATOM 175 CD GLN A 14 5.190 -0.122 13.718 1.00 0.00 C ATOM 176 OE1 GLN A 14 5.923 -0.453 14.651 1.00 0.00 O ATOM 177 NE2 GLN A 14 5.191 1.104 13.208 1.00 0.00 N ATOM 0 H GLN A 14 3.179 -2.834 12.079 1.00 0.00 H new ATOM 0 HA GLN A 14 0.848 -1.394 12.625 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.693 0.340 13.405 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.444 -1.165 14.267 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.418 -2.105 13.504 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.424 -1.173 12.020 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.567 1.335 12.435 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.816 1.814 13.589 1.00 0.00 H new ATOM 186 N LEU A 15 0.501 0.208 10.780 1.00 0.00 N ATOM 187 CA LEU A 15 0.261 1.217 9.754 1.00 0.00 C ATOM 188 C LEU A 15 0.406 2.622 10.328 1.00 0.00 C ATOM 189 O LEU A 15 -0.474 3.108 11.037 1.00 0.00 O ATOM 190 CB LEU A 15 -1.136 1.040 9.155 1.00 0.00 C ATOM 191 CG LEU A 15 -1.608 2.149 8.214 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.066 1.925 6.811 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.127 2.223 8.196 1.00 0.00 C ATOM 0 H LEU A 15 -0.345 -0.177 11.199 1.00 0.00 H new ATOM 0 HA LEU A 15 1.006 1.087 8.969 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.160 0.095 8.612 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.852 0.955 9.972 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.223 3.100 8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.412 2.724 6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.024 1.924 6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.420 0.966 6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.445 3.018 7.521 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.534 1.272 7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.493 2.433 9.201 1.00 0.00 H new ATOM 205 N SER A 16 1.523 3.271 10.014 1.00 0.00 N ATOM 206 CA SER A 16 1.785 4.621 10.500 1.00 0.00 C ATOM 207 C SER A 16 1.633 5.642 9.376 1.00 0.00 C ATOM 208 O SER A 16 1.606 5.286 8.198 1.00 0.00 O ATOM 209 CB SER A 16 3.192 4.707 11.095 1.00 0.00 C ATOM 210 OG SER A 16 3.385 3.721 12.094 1.00 0.00 O ATOM 0 H SER A 16 2.261 2.884 9.425 1.00 0.00 H new ATOM 0 HA SER A 16 1.055 4.849 11.276 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.932 4.579 10.305 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.350 5.697 11.522 1.00 0.00 H new ATOM 0 HG SER A 16 4.292 3.796 12.457 1.00 0.00 H new ATOM 216 N VAL A 17 1.533 6.913 9.750 1.00 0.00 N ATOM 217 CA VAL A 17 1.384 7.987 8.775 1.00 0.00 C ATOM 218 C VAL A 17 2.600 8.907 8.780 1.00 0.00 C ATOM 219 O VAL A 17 3.080 9.315 9.838 1.00 0.00 O ATOM 220 CB VAL A 17 0.120 8.824 9.050 1.00 0.00 C ATOM 221 CG1 VAL A 17 -0.148 9.782 7.900 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.077 7.917 9.290 1.00 0.00 C ATOM 0 H VAL A 17 1.552 7.225 10.721 1.00 0.00 H new ATOM 0 HA VAL A 17 1.293 7.515 7.797 1.00 0.00 H new ATOM 0 HB VAL A 17 0.286 9.415 9.951 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.045 10.364 8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.702 10.454 7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.293 9.215 6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.961 8.525 9.483 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.247 7.298 8.409 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.882 7.277 10.151 1.00 0.00 H new ATOM 232 N THR A 18 3.095 9.230 7.589 1.00 0.00 N ATOM 233 CA THR A 18 4.256 10.101 7.455 1.00 0.00 C ATOM 234 C THR A 18 3.969 11.258 6.505 1.00 0.00 C ATOM 235 O THR A 18 3.086 11.168 5.652 1.00 0.00 O ATOM 236 CB THR A 18 5.485 9.325 6.945 1.00 0.00 C ATOM 237 OG1 THR A 18 5.248 8.854 5.613 1.00 0.00 O ATOM 238 CG2 THR A 18 5.798 8.148 7.856 1.00 0.00 C ATOM 0 H THR A 18 2.710 8.901 6.704 1.00 0.00 H new ATOM 0 HA THR A 18 4.471 10.495 8.448 1.00 0.00 H new ATOM 0 HB THR A 18 6.340 10.001 6.945 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.034 8.363 5.295 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.670 7.615 7.476 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.006 8.512 8.862 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.943 7.472 7.884 1.00 0.00 H new ATOM 246 N ASP A 19 4.721 12.342 6.657 1.00 0.00 N ATOM 247 CA ASP A 19 4.549 13.517 5.810 1.00 0.00 C ATOM 248 C ASP A 19 3.135 14.076 5.938 1.00 0.00 C ATOM 249 O ASP A 19 2.545 14.532 4.959 1.00 0.00 O ATOM 250 CB ASP A 19 4.842 13.167 4.350 1.00 0.00 C ATOM 251 CG ASP A 19 6.297 13.383 3.984 1.00 0.00 C ATOM 252 OD1 ASP A 19 7.152 12.613 4.470 1.00 0.00 O ATOM 253 OD2 ASP A 19 6.581 14.322 3.211 1.00 0.00 O ATOM 0 H ASP A 19 5.456 12.432 7.359 1.00 0.00 H new ATOM 0 HA ASP A 19 5.254 14.280 6.141 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.575 12.126 4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.213 13.775 3.700 1.00 0.00 H new ATOM 258 N VAL A 20 2.596 14.037 7.153 1.00 0.00 N ATOM 259 CA VAL A 20 1.252 14.539 7.409 1.00 0.00 C ATOM 260 C VAL A 20 1.067 15.936 6.827 1.00 0.00 C ATOM 261 O VAL A 20 1.537 16.924 7.392 1.00 0.00 O ATOM 262 CB VAL A 20 0.946 14.579 8.919 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.533 14.838 9.157 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.384 13.284 9.585 1.00 0.00 C ATOM 0 H VAL A 20 3.070 13.663 7.975 1.00 0.00 H new ATOM 0 HA VAL A 20 0.559 13.852 6.923 1.00 0.00 H new ATOM 0 HB VAL A 20 1.509 15.398 9.365 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.730 14.863 10.229 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.811 15.795 8.715 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.120 14.042 8.698 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.161 13.329 10.651 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.850 12.446 9.138 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.456 13.147 9.445 1.00 0.00 H new ATOM 274 N THR A 21 0.377 16.012 5.693 1.00 0.00 N ATOM 275 CA THR A 21 0.130 17.287 5.033 1.00 0.00 C ATOM 276 C THR A 21 -1.115 17.965 5.594 1.00 0.00 C ATOM 277 O THR A 21 -1.954 17.321 6.226 1.00 0.00 O ATOM 278 CB THR A 21 -0.038 17.109 3.512 1.00 0.00 C ATOM 279 OG1 THR A 21 0.798 16.043 3.048 1.00 0.00 O ATOM 280 CG2 THR A 21 0.314 18.393 2.775 1.00 0.00 C ATOM 0 H THR A 21 -0.021 15.205 5.213 1.00 0.00 H new ATOM 0 HA THR A 21 1.000 17.915 5.224 1.00 0.00 H new ATOM 0 HB THR A 21 -1.081 16.866 3.310 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.808 16.038 2.068 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.188 18.243 1.703 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.343 19.196 3.109 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.350 18.661 2.985 1.00 0.00 H new ATOM 288 N THR A 22 -1.231 19.268 5.359 1.00 0.00 N ATOM 289 CA THR A 22 -2.373 20.033 5.842 1.00 0.00 C ATOM 290 C THR A 22 -3.687 19.374 5.437 1.00 0.00 C ATOM 291 O THR A 22 -4.609 19.258 6.244 1.00 0.00 O ATOM 292 CB THR A 22 -2.350 21.477 5.305 1.00 0.00 C ATOM 293 OG1 THR A 22 -2.127 21.470 3.891 1.00 0.00 O ATOM 294 CG2 THR A 22 -1.263 22.291 5.991 1.00 0.00 C ATOM 0 H THR A 22 -0.547 19.816 4.837 1.00 0.00 H new ATOM 0 HA THR A 22 -2.301 20.056 6.929 1.00 0.00 H new ATOM 0 HB THR A 22 -3.315 21.936 5.518 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.115 22.391 3.557 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.265 23.307 5.596 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.452 22.318 7.064 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.292 21.832 5.805 1.00 0.00 H new ATOM 302 N SER A 23 -3.765 18.942 4.182 1.00 0.00 N ATOM 303 CA SER A 23 -4.968 18.297 3.669 1.00 0.00 C ATOM 304 C SER A 23 -4.629 16.963 3.009 1.00 0.00 C ATOM 305 O SER A 23 -5.404 16.441 2.208 1.00 0.00 O ATOM 306 CB SER A 23 -5.674 19.211 2.666 1.00 0.00 C ATOM 307 OG SER A 23 -6.357 20.262 3.327 1.00 0.00 O ATOM 0 H SER A 23 -3.009 19.027 3.502 1.00 0.00 H new ATOM 0 HA SER A 23 -5.636 18.108 4.509 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.944 19.627 1.972 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.381 18.629 2.074 1.00 0.00 H new ATOM 0 HG SER A 23 -7.298 20.016 3.447 1.00 0.00 H new ATOM 313 N SER A 24 -3.466 16.419 3.352 1.00 0.00 N ATOM 314 CA SER A 24 -3.022 15.149 2.790 1.00 0.00 C ATOM 315 C SER A 24 -2.040 14.454 3.729 1.00 0.00 C ATOM 316 O SER A 24 -1.682 14.989 4.779 1.00 0.00 O ATOM 317 CB SER A 24 -2.369 15.371 1.425 1.00 0.00 C ATOM 318 OG SER A 24 -3.153 16.234 0.619 1.00 0.00 O ATOM 0 H SER A 24 -2.815 16.838 4.016 1.00 0.00 H new ATOM 0 HA SER A 24 -3.896 14.509 2.667 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.375 15.797 1.559 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.240 14.414 0.920 1.00 0.00 H new ATOM 0 HG SER A 24 -2.714 16.361 -0.248 1.00 0.00 H new ATOM 324 N LEU A 25 -1.608 13.258 3.343 1.00 0.00 N ATOM 325 CA LEU A 25 -0.666 12.488 4.148 1.00 0.00 C ATOM 326 C LEU A 25 -0.241 11.217 3.422 1.00 0.00 C ATOM 327 O LEU A 25 -0.752 10.904 2.346 1.00 0.00 O ATOM 328 CB LEU A 25 -1.292 12.133 5.498 1.00 0.00 C ATOM 329 CG LEU A 25 -2.795 11.850 5.488 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.081 10.506 4.837 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.355 11.890 6.903 1.00 0.00 C ATOM 0 H LEU A 25 -1.895 12.801 2.478 1.00 0.00 H new ATOM 0 HA LEU A 25 0.219 13.102 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.780 11.256 5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.102 12.953 6.191 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.287 12.626 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.155 10.322 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.716 10.514 3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.577 9.717 5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.426 11.686 6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.857 11.136 7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.184 12.876 7.334 1.00 0.00 H new ATOM 343 N ARG A 26 0.697 10.487 4.017 1.00 0.00 N ATOM 344 CA ARG A 26 1.190 9.248 3.427 1.00 0.00 C ATOM 345 C ARG A 26 1.178 8.116 4.449 1.00 0.00 C ATOM 346 O ARG A 26 1.387 8.340 5.642 1.00 0.00 O ATOM 347 CB ARG A 26 2.607 9.446 2.885 1.00 0.00 C ATOM 348 CG ARG A 26 3.136 8.249 2.112 1.00 0.00 C ATOM 349 CD ARG A 26 4.652 8.157 2.195 1.00 0.00 C ATOM 350 NE ARG A 26 5.204 7.280 1.166 1.00 0.00 N ATOM 351 CZ ARG A 26 6.503 7.037 1.028 1.00 0.00 C ATOM 352 NH1 ARG A 26 7.378 7.601 1.850 1.00 0.00 N ATOM 353 NH2 ARG A 26 6.929 6.228 0.067 1.00 0.00 N ATOM 0 H ARG A 26 1.131 10.732 4.907 1.00 0.00 H new ATOM 0 HA ARG A 26 0.528 8.978 2.605 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.620 10.321 2.236 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.279 9.656 3.717 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.693 7.335 2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.832 8.325 1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.082 9.153 2.091 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.939 7.787 3.179 1.00 0.00 H new ATOM 0 HE ARG A 26 4.557 6.830 0.518 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.054 8.223 2.591 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.375 7.412 1.742 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.259 5.792 -0.567 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.926 6.042 -0.038 1.00 0.00 H new ATOM 367 N LEU A 27 0.932 6.900 3.975 1.00 0.00 N ATOM 368 CA LEU A 27 0.892 5.731 4.848 1.00 0.00 C ATOM 369 C LEU A 27 2.034 4.773 4.527 1.00 0.00 C ATOM 370 O LEU A 27 2.637 4.846 3.457 1.00 0.00 O ATOM 371 CB LEU A 27 -0.450 5.010 4.706 1.00 0.00 C ATOM 372 CG LEU A 27 -1.639 5.659 5.414 1.00 0.00 C ATOM 373 CD1 LEU A 27 -2.941 5.289 4.719 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.678 5.247 6.878 1.00 0.00 C ATOM 0 H LEU A 27 0.757 6.697 2.991 1.00 0.00 H new ATOM 0 HA LEU A 27 1.007 6.072 5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.685 4.928 3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.336 3.995 5.086 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.520 6.741 5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.776 5.760 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.913 5.635 3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.068 4.206 4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.531 5.719 7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.773 4.163 6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.758 5.563 7.370 1.00 0.00 H new ATOM 386 N ASN A 28 2.325 3.874 5.462 1.00 0.00 N ATOM 387 CA ASN A 28 3.394 2.899 5.278 1.00 0.00 C ATOM 388 C ASN A 28 3.152 1.658 6.132 1.00 0.00 C ATOM 389 O ASN A 28 3.116 1.735 7.360 1.00 0.00 O ATOM 390 CB ASN A 28 4.746 3.521 5.633 1.00 0.00 C ATOM 391 CG ASN A 28 5.047 4.760 4.812 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.654 4.678 3.744 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.622 5.916 5.308 1.00 0.00 N ATOM 0 H ASN A 28 1.836 3.801 6.354 1.00 0.00 H new ATOM 0 HA ASN A 28 3.403 2.600 4.230 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.757 3.779 6.692 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.534 2.784 5.476 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.795 6.783 4.800 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.123 5.937 6.197 1.00 0.00 H new ATOM 400 N TRP A 29 2.987 0.517 5.474 1.00 0.00 N ATOM 401 CA TRP A 29 2.749 -0.741 6.173 1.00 0.00 C ATOM 402 C TRP A 29 3.646 -1.846 5.626 1.00 0.00 C ATOM 403 O TRP A 29 3.927 -1.893 4.429 1.00 0.00 O ATOM 404 CB TRP A 29 1.281 -1.149 6.045 1.00 0.00 C ATOM 405 CG TRP A 29 0.835 -1.329 4.625 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.853 -2.487 3.901 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.308 -0.319 3.758 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.369 -2.257 2.636 1.00 0.00 N ATOM 409 CE2 TRP A 29 0.027 -0.936 2.523 1.00 0.00 C ATOM 410 CE3 TRP A 29 0.045 1.046 3.905 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.503 -0.233 1.444 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.481 1.742 2.833 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.751 1.102 1.616 1.00 0.00 C ATOM 0 H TRP A 29 3.014 0.436 4.458 1.00 0.00 H new ATOM 0 HA TRP A 29 2.987 -0.593 7.226 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.122 -2.080 6.589 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.658 -0.391 6.520 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.197 -3.442 4.269 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.279 -2.957 1.900 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.249 1.548 4.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.711 -0.724 0.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.687 2.797 2.935 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.163 1.674 0.797 1.00 0.00 H new ATOM 424 N GLU A 30 4.092 -2.733 6.510 1.00 0.00 N ATOM 425 CA GLU A 30 4.958 -3.837 6.114 1.00 0.00 C ATOM 426 C GLU A 30 4.159 -5.129 5.966 1.00 0.00 C ATOM 427 O GLU A 30 3.320 -5.452 6.807 1.00 0.00 O ATOM 428 CB GLU A 30 6.077 -4.030 7.140 1.00 0.00 C ATOM 429 CG GLU A 30 7.014 -5.179 6.808 1.00 0.00 C ATOM 430 CD GLU A 30 8.043 -5.424 7.895 1.00 0.00 C ATOM 431 OE1 GLU A 30 7.641 -5.784 9.021 1.00 0.00 O ATOM 432 OE2 GLU A 30 9.249 -5.257 7.619 1.00 0.00 O ATOM 0 H GLU A 30 3.868 -2.708 7.505 1.00 0.00 H new ATOM 0 HA GLU A 30 5.399 -3.591 5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.656 -3.109 7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.634 -4.205 8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.430 -6.086 6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.526 -4.966 5.869 1.00 0.00 H new ATOM 439 N ALA A 31 4.426 -5.863 4.891 1.00 0.00 N ATOM 440 CA ALA A 31 3.734 -7.120 4.633 1.00 0.00 C ATOM 441 C ALA A 31 4.655 -8.122 3.947 1.00 0.00 C ATOM 442 O ALA A 31 5.507 -7.764 3.133 1.00 0.00 O ATOM 443 CB ALA A 31 2.493 -6.875 3.788 1.00 0.00 C ATOM 0 H ALA A 31 5.117 -5.609 4.185 1.00 0.00 H new ATOM 0 HA ALA A 31 3.430 -7.543 5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.986 -7.822 3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.820 -6.200 4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.783 -6.427 2.838 1.00 0.00 H new ATOM 449 N PRO A 32 4.483 -9.410 4.280 1.00 0.00 N ATOM 450 CA PRO A 32 5.290 -10.491 3.707 1.00 0.00 C ATOM 451 C PRO A 32 4.977 -10.729 2.233 1.00 0.00 C ATOM 452 O PRO A 32 3.905 -10.380 1.738 1.00 0.00 O ATOM 453 CB PRO A 32 4.894 -11.711 4.542 1.00 0.00 C ATOM 454 CG PRO A 32 3.525 -11.400 5.042 1.00 0.00 C ATOM 455 CD PRO A 32 3.487 -9.910 5.243 1.00 0.00 C ATOM 0 HA PRO A 32 6.356 -10.265 3.738 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.899 -12.620 3.941 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.590 -11.870 5.366 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.767 -11.717 4.326 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.322 -11.925 5.975 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.496 -9.503 5.044 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.744 -9.636 6.266 1.00 0.00 H new ATOM 463 N PRO A 33 5.932 -11.338 1.515 1.00 0.00 N ATOM 464 CA PRO A 33 5.780 -11.638 0.088 1.00 0.00 C ATOM 465 C PRO A 33 4.752 -12.734 -0.168 1.00 0.00 C ATOM 466 O PRO A 33 4.810 -13.806 0.433 1.00 0.00 O ATOM 467 CB PRO A 33 7.177 -12.107 -0.326 1.00 0.00 C ATOM 468 CG PRO A 33 7.790 -12.627 0.928 1.00 0.00 C ATOM 469 CD PRO A 33 7.234 -11.782 2.041 1.00 0.00 C ATOM 0 HA PRO A 33 5.421 -10.776 -0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.124 -12.881 -1.091 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.762 -11.287 -0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.544 -13.679 1.076 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.877 -12.556 0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.121 -12.354 2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.885 -10.938 2.268 1.00 0.00 H new ATOM 477 N GLY A 34 3.809 -12.458 -1.064 1.00 0.00 N ATOM 478 CA GLY A 34 2.781 -13.431 -1.383 1.00 0.00 C ATOM 479 C GLY A 34 1.709 -13.514 -0.315 1.00 0.00 C ATOM 480 O GLY A 34 1.146 -14.581 -0.072 1.00 0.00 O ATOM 0 H GLY A 34 3.739 -11.578 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.321 -13.169 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.240 -14.412 -1.509 1.00 0.00 H new ATOM 484 N ALA A 35 1.425 -12.384 0.325 1.00 0.00 N ATOM 485 CA ALA A 35 0.413 -12.333 1.373 1.00 0.00 C ATOM 486 C ALA A 35 -0.921 -11.842 0.824 1.00 0.00 C ATOM 487 O ALA A 35 -1.976 -12.389 1.146 1.00 0.00 O ATOM 488 CB ALA A 35 0.878 -11.440 2.513 1.00 0.00 C ATOM 0 H ALA A 35 1.882 -11.492 0.136 1.00 0.00 H new ATOM 0 HA ALA A 35 0.269 -13.344 1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.112 -11.411 3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.803 -11.836 2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.052 -10.432 2.138 1.00 0.00 H new ATOM 494 N PHE A 36 -0.868 -10.805 -0.007 1.00 0.00 N ATOM 495 CA PHE A 36 -2.074 -10.239 -0.600 1.00 0.00 C ATOM 496 C PHE A 36 -1.809 -9.769 -2.028 1.00 0.00 C ATOM 497 O PHE A 36 -0.705 -9.334 -2.354 1.00 0.00 O ATOM 498 CB PHE A 36 -2.584 -9.071 0.247 1.00 0.00 C ATOM 499 CG PHE A 36 -2.433 -9.291 1.725 1.00 0.00 C ATOM 500 CD1 PHE A 36 -3.400 -9.980 2.438 1.00 0.00 C ATOM 501 CD2 PHE A 36 -1.323 -8.810 2.400 1.00 0.00 C ATOM 502 CE1 PHE A 36 -3.264 -10.183 3.799 1.00 0.00 C ATOM 503 CE2 PHE A 36 -1.181 -9.010 3.760 1.00 0.00 C ATOM 504 CZ PHE A 36 -2.152 -9.699 4.460 1.00 0.00 C ATOM 0 H PHE A 36 -0.003 -10.340 -0.284 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.836 -11.018 -0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.045 -8.166 -0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.636 -8.899 0.019 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.270 -10.363 1.925 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.560 -8.272 1.857 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.026 -10.719 4.344 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.312 -8.628 4.275 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.042 -9.859 5.522 1.00 0.00 H new ATOM 514 N ASP A 37 -2.829 -9.861 -2.873 1.00 0.00 N ATOM 515 CA ASP A 37 -2.708 -9.446 -4.266 1.00 0.00 C ATOM 516 C ASP A 37 -2.746 -7.925 -4.385 1.00 0.00 C ATOM 517 O ASP A 37 -2.078 -7.343 -5.239 1.00 0.00 O ATOM 518 CB ASP A 37 -3.828 -10.063 -5.104 1.00 0.00 C ATOM 519 CG ASP A 37 -3.713 -9.711 -6.574 1.00 0.00 C ATOM 520 OD1 ASP A 37 -2.841 -10.290 -7.256 1.00 0.00 O ATOM 521 OD2 ASP A 37 -4.494 -8.858 -7.043 1.00 0.00 O ATOM 0 H ASP A 37 -3.749 -10.219 -2.618 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.748 -9.799 -4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.808 -11.147 -4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.791 -9.721 -4.726 1.00 0.00 H new ATOM 526 N SER A 38 -3.532 -7.289 -3.522 1.00 0.00 N ATOM 527 CA SER A 38 -3.661 -5.836 -3.533 1.00 0.00 C ATOM 528 C SER A 38 -4.028 -5.313 -2.148 1.00 0.00 C ATOM 529 O SER A 38 -4.181 -6.084 -1.201 1.00 0.00 O ATOM 530 CB SER A 38 -4.719 -5.405 -4.551 1.00 0.00 C ATOM 531 OG SER A 38 -5.918 -6.141 -4.383 1.00 0.00 O ATOM 0 H SER A 38 -4.089 -7.757 -2.807 1.00 0.00 H new ATOM 0 HA SER A 38 -2.698 -5.412 -3.819 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.923 -4.340 -4.439 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.337 -5.552 -5.561 1.00 0.00 H new ATOM 0 HG SER A 38 -6.578 -5.846 -5.044 1.00 0.00 H new ATOM 537 N PHE A 39 -4.169 -3.996 -2.038 1.00 0.00 N ATOM 538 CA PHE A 39 -4.517 -3.368 -0.770 1.00 0.00 C ATOM 539 C PHE A 39 -5.580 -2.291 -0.970 1.00 0.00 C ATOM 540 O PHE A 39 -5.349 -1.295 -1.656 1.00 0.00 O ATOM 541 CB PHE A 39 -3.273 -2.758 -0.119 1.00 0.00 C ATOM 542 CG PHE A 39 -2.475 -3.742 0.686 1.00 0.00 C ATOM 543 CD1 PHE A 39 -3.045 -4.399 1.765 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.154 -4.010 0.366 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.313 -5.306 2.509 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.417 -4.916 1.105 1.00 0.00 C ATOM 547 CZ PHE A 39 -0.997 -5.564 2.179 1.00 0.00 C ATOM 0 H PHE A 39 -4.047 -3.343 -2.812 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.923 -4.137 -0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.636 -2.335 -0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.577 -1.934 0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.073 -4.200 2.028 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.695 -3.505 -0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.770 -5.812 3.347 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.611 -5.117 0.843 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.422 -6.271 2.759 1.00 0.00 H new ATOM 557 N LEU A 40 -6.745 -2.498 -0.366 1.00 0.00 N ATOM 558 CA LEU A 40 -7.844 -1.546 -0.477 1.00 0.00 C ATOM 559 C LEU A 40 -7.967 -0.705 0.790 1.00 0.00 C ATOM 560 O LEU A 40 -8.472 -1.173 1.812 1.00 0.00 O ATOM 561 CB LEU A 40 -9.158 -2.283 -0.743 1.00 0.00 C ATOM 562 CG LEU A 40 -10.302 -1.436 -1.300 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.963 -0.930 -2.693 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.597 -2.236 -1.322 1.00 0.00 C ATOM 0 H LEU A 40 -6.953 -3.317 0.206 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.632 -0.880 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.960 -3.095 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.491 -2.739 0.189 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.441 -0.575 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.789 -0.329 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.061 -0.320 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.795 -1.778 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.400 -1.617 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.470 -3.117 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.849 -2.548 -0.309 1.00 0.00 H new ATOM 576 N LEU A 41 -7.504 0.537 0.716 1.00 0.00 N ATOM 577 CA LEU A 41 -7.564 1.445 1.856 1.00 0.00 C ATOM 578 C LEU A 41 -8.842 2.278 1.823 1.00 0.00 C ATOM 579 O LEU A 41 -9.149 2.921 0.819 1.00 0.00 O ATOM 580 CB LEU A 41 -6.342 2.366 1.865 1.00 0.00 C ATOM 581 CG LEU A 41 -6.364 3.500 2.890 1.00 0.00 C ATOM 582 CD1 LEU A 41 -5.976 2.983 4.267 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.434 4.625 2.460 1.00 0.00 C ATOM 0 H LEU A 41 -7.083 0.939 -0.121 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.566 0.845 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.455 1.758 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.234 2.803 0.872 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.379 3.894 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.997 3.804 4.983 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.681 2.212 4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.971 2.562 4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.462 5.424 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.416 4.244 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.756 5.015 1.494 1.00 0.00 H new ATOM 595 N ARG A 42 -9.581 2.262 2.927 1.00 0.00 N ATOM 596 CA ARG A 42 -10.825 3.016 3.025 1.00 0.00 C ATOM 597 C ARG A 42 -10.699 4.142 4.047 1.00 0.00 C ATOM 598 O ARG A 42 -10.559 3.895 5.244 1.00 0.00 O ATOM 599 CB ARG A 42 -11.979 2.089 3.411 1.00 0.00 C ATOM 600 CG ARG A 42 -12.666 1.442 2.219 1.00 0.00 C ATOM 601 CD ARG A 42 -13.840 0.579 2.653 1.00 0.00 C ATOM 602 NE ARG A 42 -15.083 1.342 2.725 1.00 0.00 N ATOM 603 CZ ARG A 42 -15.836 1.622 1.668 1.00 0.00 C ATOM 604 NH1 ARG A 42 -15.474 1.203 0.463 1.00 0.00 N ATOM 605 NH2 ARG A 42 -16.954 2.322 1.814 1.00 0.00 N ATOM 0 H ARG A 42 -9.340 1.735 3.766 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.032 3.456 2.049 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.601 1.307 4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.715 2.657 3.980 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.015 2.216 1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.948 0.832 1.671 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.962 -0.247 1.952 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.627 0.141 3.628 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.390 1.678 3.638 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.616 0.664 0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.054 1.419 -0.348 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.236 2.646 2.739 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.531 2.536 1.001 1.00 0.00 H new ATOM 619 N PHE A 43 -10.750 5.380 3.565 1.00 0.00 N ATOM 620 CA PHE A 43 -10.641 6.544 4.436 1.00 0.00 C ATOM 621 C PHE A 43 -11.937 7.349 4.433 1.00 0.00 C ATOM 622 O PHE A 43 -12.318 7.930 3.417 1.00 0.00 O ATOM 623 CB PHE A 43 -9.475 7.431 3.992 1.00 0.00 C ATOM 624 CG PHE A 43 -9.574 7.881 2.563 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.309 7.001 1.526 1.00 0.00 C ATOM 626 CD2 PHE A 43 -9.933 9.184 2.256 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.399 7.412 0.209 1.00 0.00 C ATOM 628 CE2 PHE A 43 -10.026 9.600 0.941 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.757 8.713 -0.083 1.00 0.00 C ATOM 0 H PHE A 43 -10.866 5.602 2.576 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.456 6.192 5.451 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.429 8.308 4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.541 6.885 4.129 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.029 5.982 1.749 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.142 9.882 3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.190 6.716 -0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.309 10.617 0.715 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.827 9.037 -1.111 1.00 0.00 H new ATOM 639 N GLY A 44 -12.611 7.379 5.579 1.00 0.00 N ATOM 640 CA GLY A 44 -13.857 8.114 5.688 1.00 0.00 C ATOM 641 C GLY A 44 -13.874 9.053 6.877 1.00 0.00 C ATOM 642 O GLY A 44 -13.061 8.923 7.792 1.00 0.00 O ATOM 0 H GLY A 44 -12.316 6.907 6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.019 8.686 4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.684 7.410 5.773 1.00 0.00 H new ATOM 646 N VAL A 45 -14.802 10.005 6.865 1.00 0.00 N ATOM 647 CA VAL A 45 -14.921 10.971 7.951 1.00 0.00 C ATOM 648 C VAL A 45 -15.698 10.385 9.125 1.00 0.00 C ATOM 649 O VAL A 45 -16.903 10.146 9.046 1.00 0.00 O ATOM 650 CB VAL A 45 -15.619 12.261 7.480 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.492 13.352 8.533 1.00 0.00 C ATOM 652 CG2 VAL A 45 -15.044 12.722 6.150 1.00 0.00 C ATOM 0 H VAL A 45 -15.482 10.128 6.115 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.908 11.212 8.274 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.679 12.049 7.337 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -15.991 14.256 8.183 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.956 13.018 9.461 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.438 13.565 8.711 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.549 13.634 5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.978 12.918 6.263 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -15.193 11.945 5.400 1.00 0.00 H new ATOM 662 N PRO A 46 -14.993 10.148 10.241 1.00 0.00 N ATOM 663 CA PRO A 46 -15.596 9.588 11.454 1.00 0.00 C ATOM 664 C PRO A 46 -16.538 10.571 12.140 1.00 0.00 C ATOM 665 O PRO A 46 -16.102 11.585 12.686 1.00 0.00 O ATOM 666 CB PRO A 46 -14.388 9.293 12.347 1.00 0.00 C ATOM 667 CG PRO A 46 -13.334 10.238 11.883 1.00 0.00 C ATOM 668 CD PRO A 46 -13.553 10.409 10.405 1.00 0.00 C ATOM 0 HA PRO A 46 -16.208 8.712 11.238 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.626 9.451 13.399 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.064 8.257 12.245 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.411 11.193 12.402 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.339 9.843 12.087 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.286 11.412 10.073 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.949 9.710 9.826 1.00 0.00 H new ATOM 923 N GLU A 62 -11.529 5.109 -1.835 1.00 0.00 N ATOM 924 CA GLU A 62 -10.511 4.155 -1.409 1.00 0.00 C ATOM 925 C GLU A 62 -9.360 4.105 -2.410 1.00 0.00 C ATOM 926 O GLU A 62 -9.527 4.442 -3.583 1.00 0.00 O ATOM 927 CB GLU A 62 -11.123 2.762 -1.248 1.00 0.00 C ATOM 928 CG GLU A 62 -11.797 2.244 -2.507 1.00 0.00 C ATOM 929 CD GLU A 62 -13.179 2.834 -2.714 1.00 0.00 C ATOM 930 OE1 GLU A 62 -13.935 2.933 -1.724 1.00 0.00 O ATOM 931 OE2 GLU A 62 -13.504 3.196 -3.864 1.00 0.00 O ATOM 0 HA GLU A 62 -10.119 4.485 -0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.341 2.063 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.853 2.786 -0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.174 2.477 -3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.874 1.158 -2.453 1.00 0.00 H new ATOM 938 N LEU A 63 -8.192 3.683 -1.938 1.00 0.00 N ATOM 939 CA LEU A 63 -7.012 3.588 -2.790 1.00 0.00 C ATOM 940 C LEU A 63 -6.733 2.139 -3.175 1.00 0.00 C ATOM 941 O LEU A 63 -7.072 1.214 -2.437 1.00 0.00 O ATOM 942 CB LEU A 63 -5.796 4.182 -2.078 1.00 0.00 C ATOM 943 CG LEU A 63 -4.465 4.081 -2.824 1.00 0.00 C ATOM 944 CD1 LEU A 63 -4.431 5.059 -3.989 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.301 4.337 -1.877 1.00 0.00 C ATOM 0 H LEU A 63 -8.037 3.401 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.205 4.155 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.997 5.234 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.687 3.687 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.369 3.070 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.477 4.973 -4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.242 4.830 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.550 6.076 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.362 4.261 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.392 5.336 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.314 3.598 -1.076 1.00 0.00 H new ATOM 957 N MET A 64 -6.110 1.949 -4.334 1.00 0.00 N ATOM 958 CA MET A 64 -5.782 0.612 -4.814 1.00 0.00 C ATOM 959 C MET A 64 -4.279 0.463 -5.024 1.00 0.00 C ATOM 960 O MET A 64 -3.698 1.101 -5.902 1.00 0.00 O ATOM 961 CB MET A 64 -6.522 0.321 -6.121 1.00 0.00 C ATOM 962 CG MET A 64 -6.650 -1.162 -6.430 1.00 0.00 C ATOM 963 SD MET A 64 -8.112 -1.544 -7.414 1.00 0.00 S ATOM 964 CE MET A 64 -9.057 -2.523 -6.250 1.00 0.00 C ATOM 0 H MET A 64 -5.823 2.704 -4.957 1.00 0.00 H new ATOM 0 HA MET A 64 -6.098 -0.106 -4.057 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.518 0.760 -6.070 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.999 0.811 -6.942 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.760 -1.496 -6.964 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.690 -1.722 -5.495 1.00 0.00 H new ATOM 0 HE1 MET A 64 -9.718 -3.198 -6.794 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.377 -3.105 -5.627 1.00 0.00 H new ATOM 0 HE3 MET A 64 -9.652 -1.863 -5.619 1.00 0.00 H new ATOM 974 N VAL A 65 -3.653 -0.383 -4.211 1.00 0.00 N ATOM 975 CA VAL A 65 -2.217 -0.615 -4.308 1.00 0.00 C ATOM 976 C VAL A 65 -1.893 -2.101 -4.196 1.00 0.00 C ATOM 977 O VAL A 65 -2.435 -2.819 -3.356 1.00 0.00 O ATOM 978 CB VAL A 65 -1.449 0.150 -3.214 1.00 0.00 C ATOM 979 CG1 VAL A 65 -0.058 0.526 -3.702 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.225 1.387 -2.785 1.00 0.00 C ATOM 0 H VAL A 65 -4.118 -0.919 -3.478 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.902 -0.249 -5.285 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.340 -0.502 -2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.470 1.066 -2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.495 -0.378 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.141 1.160 -4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.668 1.916 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.366 2.044 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.197 1.089 -2.392 1.00 0.00 H new ATOM 990 N PRO A 66 -0.986 -2.575 -5.063 1.00 0.00 N ATOM 991 CA PRO A 66 -0.567 -3.980 -5.082 1.00 0.00 C ATOM 992 C PRO A 66 0.263 -4.353 -3.858 1.00 0.00 C ATOM 993 O PRO A 66 0.934 -3.507 -3.269 1.00 0.00 O ATOM 994 CB PRO A 66 0.279 -4.081 -6.353 1.00 0.00 C ATOM 995 CG PRO A 66 0.782 -2.698 -6.585 1.00 0.00 C ATOM 996 CD PRO A 66 -0.299 -1.776 -6.092 1.00 0.00 C ATOM 0 HA PRO A 66 -1.419 -4.660 -5.066 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.101 -4.785 -6.226 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.315 -4.433 -7.197 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.715 -2.527 -6.049 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.987 -2.529 -7.642 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.115 -0.857 -5.677 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.977 -1.486 -6.895 1.00 0.00 H new ATOM 1004 N GLY A 67 0.214 -5.627 -3.481 1.00 0.00 N ATOM 1005 CA GLY A 67 0.966 -6.090 -2.330 1.00 0.00 C ATOM 1006 C GLY A 67 2.401 -5.601 -2.340 1.00 0.00 C ATOM 1007 O GLY A 67 2.911 -5.125 -1.325 1.00 0.00 O ATOM 0 H GLY A 67 -0.333 -6.347 -3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.476 -5.749 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.957 -7.180 -2.308 1.00 0.00 H new ATOM 1011 N THR A 68 3.057 -5.720 -3.491 1.00 0.00 N ATOM 1012 CA THR A 68 4.442 -5.289 -3.629 1.00 0.00 C ATOM 1013 C THR A 68 4.617 -3.845 -3.175 1.00 0.00 C ATOM 1014 O THR A 68 5.705 -3.439 -2.767 1.00 0.00 O ATOM 1015 CB THR A 68 4.929 -5.421 -5.084 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.294 -4.998 -5.184 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.066 -4.590 -6.021 1.00 0.00 C ATOM 0 H THR A 68 2.651 -6.111 -4.341 1.00 0.00 H new ATOM 0 HA THR A 68 5.040 -5.941 -2.993 1.00 0.00 H new ATOM 0 HB THR A 68 4.851 -6.468 -5.376 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.597 -5.086 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.429 -4.699 -7.043 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.033 -4.933 -5.964 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.117 -3.541 -5.728 1.00 0.00 H new ATOM 1025 N ARG A 69 3.538 -3.072 -3.248 1.00 0.00 N ATOM 1026 CA ARG A 69 3.573 -1.671 -2.845 1.00 0.00 C ATOM 1027 C ARG A 69 2.719 -1.442 -1.601 1.00 0.00 C ATOM 1028 O ARG A 69 1.526 -1.749 -1.589 1.00 0.00 O ATOM 1029 CB ARG A 69 3.081 -0.778 -3.985 1.00 0.00 C ATOM 1030 CG ARG A 69 4.196 -0.275 -4.888 1.00 0.00 C ATOM 1031 CD ARG A 69 3.646 0.524 -6.059 1.00 0.00 C ATOM 1032 NE ARG A 69 4.707 1.172 -6.825 1.00 0.00 N ATOM 1033 CZ ARG A 69 4.555 1.601 -8.073 1.00 0.00 C ATOM 1034 NH1 ARG A 69 3.392 1.452 -8.693 1.00 0.00 N ATOM 1035 NH2 ARG A 69 5.568 2.182 -8.705 1.00 0.00 N ATOM 0 H ARG A 69 2.629 -3.392 -3.582 1.00 0.00 H new ATOM 0 HA ARG A 69 4.605 -1.412 -2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.361 -1.334 -4.586 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.552 0.077 -3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.880 0.347 -4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.773 -1.121 -5.262 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.078 -0.137 -6.714 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.953 1.279 -5.689 1.00 0.00 H new ATOM 0 HE ARG A 69 5.614 1.302 -6.377 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.611 1.007 -8.212 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.279 1.783 -9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.464 2.299 -8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.450 2.511 -9.663 1.00 0.00 H new ATOM 1049 N HIS A 70 3.337 -0.902 -0.556 1.00 0.00 N ATOM 1050 CA HIS A 70 2.634 -0.632 0.693 1.00 0.00 C ATOM 1051 C HIS A 70 2.639 0.861 1.007 1.00 0.00 C ATOM 1052 O HIS A 70 3.265 1.301 1.972 1.00 0.00 O ATOM 1053 CB HIS A 70 3.276 -1.409 1.843 1.00 0.00 C ATOM 1054 CG HIS A 70 3.692 -2.798 1.468 1.00 0.00 C ATOM 1055 ND1 HIS A 70 4.908 -3.088 0.886 1.00 0.00 N ATOM 1056 CD2 HIS A 70 3.047 -3.981 1.598 1.00 0.00 C ATOM 1057 CE1 HIS A 70 4.992 -4.389 0.671 1.00 0.00 C ATOM 1058 NE2 HIS A 70 3.876 -4.954 1.095 1.00 0.00 N ATOM 0 H HIS A 70 4.323 -0.643 -0.549 1.00 0.00 H new ATOM 0 HA HIS A 70 1.600 -0.958 0.577 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.148 -0.861 2.199 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.572 -1.461 2.673 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.630 -2.405 0.657 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.064 -4.132 2.019 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.830 -4.903 0.225 1.00 0.00 H new ATOM 1067 N SER A 71 1.937 1.636 0.186 1.00 0.00 N ATOM 1068 CA SER A 71 1.865 3.080 0.374 1.00 0.00 C ATOM 1069 C SER A 71 0.468 3.601 0.048 1.00 0.00 C ATOM 1070 O SER A 71 -0.271 2.988 -0.722 1.00 0.00 O ATOM 1071 CB SER A 71 2.901 3.783 -0.505 1.00 0.00 C ATOM 1072 OG SER A 71 2.667 3.522 -1.878 1.00 0.00 O ATOM 0 H SER A 71 1.410 1.288 -0.615 1.00 0.00 H new ATOM 0 HA SER A 71 2.080 3.296 1.420 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.866 4.857 -0.325 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.901 3.447 -0.233 1.00 0.00 H new ATOM 0 HG SER A 71 3.342 3.984 -2.418 1.00 0.00 H new ATOM 1078 N ALA A 72 0.114 4.737 0.640 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.192 5.342 0.412 1.00 0.00 C ATOM 1080 C ALA A 72 -1.167 6.835 0.720 1.00 0.00 C ATOM 1081 O ALA A 72 -0.828 7.245 1.830 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.251 4.646 1.255 1.00 0.00 C ATOM 0 H ALA A 72 0.714 5.257 1.281 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.442 5.219 -0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.221 5.108 1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.296 3.591 0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.995 4.740 2.310 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.527 7.645 -0.271 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.545 9.094 -0.106 1.00 0.00 C ATOM 1090 C VAL A 73 -2.933 9.661 -0.385 1.00 0.00 C ATOM 1091 O VAL A 73 -3.422 9.608 -1.514 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.527 9.778 -1.037 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.670 11.291 -0.965 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.889 9.351 -0.682 1.00 0.00 C ATOM 0 H VAL A 73 -1.810 7.322 -1.196 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.273 9.298 0.930 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.730 9.466 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.057 11.757 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.676 11.576 -1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.494 11.625 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.596 9.844 -1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.106 9.633 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.981 8.270 -0.790 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.563 10.205 0.651 1.00 0.00 N ATOM 1105 CA LEU A 74 -4.895 10.783 0.518 1.00 0.00 C ATOM 1106 C LEU A 74 -4.814 12.288 0.281 1.00 0.00 C ATOM 1107 O LEU A 74 -4.021 12.984 0.915 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.724 10.497 1.772 1.00 0.00 C ATOM 1109 CG LEU A 74 -6.011 9.024 2.065 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.479 8.310 0.806 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -4.775 8.344 2.637 1.00 0.00 C ATOM 0 H LEU A 74 -3.172 10.258 1.592 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.380 10.323 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.206 10.923 2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.676 11.021 1.682 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.808 8.970 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.678 7.263 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.391 8.781 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.704 8.374 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.997 7.296 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.958 8.409 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.483 8.839 3.563 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.641 12.783 -0.634 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.664 14.205 -0.954 1.00 0.00 C ATOM 1125 C ARG A 75 -7.075 14.770 -0.819 1.00 0.00 C ATOM 1126 O ARG A 75 -8.049 14.022 -0.738 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.143 14.438 -2.374 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.688 14.044 -2.561 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.191 14.392 -3.956 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.206 15.832 -4.199 1.00 0.00 N ATOM 1131 CZ ARG A 75 -2.640 16.405 -5.255 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -2.019 15.664 -6.162 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -2.696 17.722 -5.406 1.00 0.00 N ATOM 0 H ARG A 75 -6.304 12.220 -1.167 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.015 14.722 -0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.757 13.872 -3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.261 15.492 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.074 14.552 -1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.575 12.973 -2.390 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.177 14.013 -4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.814 13.893 -4.698 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.677 16.430 -3.520 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.975 14.651 -6.050 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.585 16.107 -6.972 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.174 18.295 -4.711 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.261 18.161 -6.217 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.176 16.094 -0.794 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.467 16.760 -0.669 1.00 0.00 C ATOM 1149 C ASP A 76 -9.070 16.521 0.711 1.00 0.00 C ATOM 1150 O ASP A 76 -10.284 16.364 0.851 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.427 16.265 -1.752 1.00 0.00 C ATOM 1152 CG ASP A 76 -10.654 17.146 -1.884 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -10.556 18.352 -1.573 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -11.713 16.630 -2.299 1.00 0.00 O ATOM 0 H ASP A 76 -6.379 16.728 -0.859 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.310 17.831 -0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.904 16.229 -2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.738 15.246 -1.520 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.216 16.493 1.728 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.664 16.272 3.099 1.00 0.00 C ATOM 1161 C LEU A 77 -8.948 17.596 3.800 1.00 0.00 C ATOM 1162 O LEU A 77 -8.820 18.666 3.203 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.611 15.484 3.880 1.00 0.00 C ATOM 1164 CG LEU A 77 -7.155 14.167 3.250 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -6.237 13.412 4.198 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -8.355 13.312 2.872 1.00 0.00 C ATOM 0 H LEU A 77 -7.209 16.621 1.629 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.588 15.696 3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.737 16.121 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.008 15.271 4.873 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.597 14.395 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.923 12.478 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.360 14.021 4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.769 13.195 5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.011 12.379 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.941 13.092 3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.974 13.851 2.155 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.332 17.518 5.070 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.632 18.710 5.852 1.00 0.00 C ATOM 1180 C ARG A 78 -8.404 19.174 6.630 1.00 0.00 C ATOM 1181 O ARG A 78 -7.366 18.512 6.622 1.00 0.00 O ATOM 1182 CB ARG A 78 -10.787 18.436 6.818 1.00 0.00 C ATOM 1183 CG ARG A 78 -11.605 19.671 7.156 1.00 0.00 C ATOM 1184 CD ARG A 78 -13.042 19.311 7.497 1.00 0.00 C ATOM 1185 NE ARG A 78 -13.670 20.315 8.351 1.00 0.00 N ATOM 1186 CZ ARG A 78 -14.812 20.117 9.001 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -15.446 18.958 8.895 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -15.320 21.080 9.759 1.00 0.00 N ATOM 0 H ARG A 78 -9.443 16.641 5.579 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.924 19.502 5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.444 17.684 6.381 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.386 18.013 7.739 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.149 20.191 7.999 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.592 20.360 6.311 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.617 19.206 6.577 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.064 18.344 7.999 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.207 21.218 8.454 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.058 18.215 8.313 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.322 18.809 9.395 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.834 21.973 9.843 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.197 20.928 10.258 1.00 0.00 H new ATOM 1202 N SER A 79 -8.530 20.315 7.300 1.00 0.00 N ATOM 1203 CA SER A 79 -7.429 20.869 8.080 1.00 0.00 C ATOM 1204 C SER A 79 -7.528 20.440 9.540 1.00 0.00 C ATOM 1205 O SER A 79 -8.611 20.421 10.122 1.00 0.00 O ATOM 1206 CB SER A 79 -7.427 22.396 7.985 1.00 0.00 C ATOM 1207 OG SER A 79 -8.684 22.932 8.363 1.00 0.00 O ATOM 0 H SER A 79 -9.383 20.874 7.319 1.00 0.00 H new ATOM 0 HA SER A 79 -6.496 20.485 7.669 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.646 22.803 8.628 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.190 22.700 6.965 1.00 0.00 H new ATOM 0 HG SER A 79 -8.657 23.909 8.295 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.385 20.095 10.128 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.363 19.669 11.515 1.00 0.00 C ATOM 1215 C GLY A 80 -7.574 18.835 11.885 1.00 0.00 C ATOM 1216 O GLY A 80 -8.320 19.182 12.801 1.00 0.00 O ATOM 0 H GLY A 80 -5.475 20.103 9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.458 19.091 11.700 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.319 20.546 12.161 1.00 0.00 H new ATOM 1220 N THR A 81 -7.771 17.731 11.170 1.00 0.00 N ATOM 1221 CA THR A 81 -8.900 16.847 11.426 1.00 0.00 C ATOM 1222 C THR A 81 -8.442 15.401 11.581 1.00 0.00 C ATOM 1223 O THR A 81 -7.395 15.012 11.062 1.00 0.00 O ATOM 1224 CB THR A 81 -9.942 16.925 10.295 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.317 18.288 10.067 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.177 16.105 10.638 1.00 0.00 C ATOM 0 H THR A 81 -7.163 17.429 10.409 1.00 0.00 H new ATOM 0 HA THR A 81 -9.359 17.182 12.356 1.00 0.00 H new ATOM 0 HB THR A 81 -9.493 16.515 9.390 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.511 18.842 10.000 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.898 16.176 9.824 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.893 15.062 10.782 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.625 16.489 11.555 1.00 0.00 H new ATOM 1234 N LEU A 82 -9.232 14.609 12.298 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.908 13.204 12.521 1.00 0.00 C ATOM 1236 C LEU A 82 -9.625 12.313 11.512 1.00 0.00 C ATOM 1237 O LEU A 82 -10.852 12.332 11.413 1.00 0.00 O ATOM 1238 CB LEU A 82 -9.288 12.792 13.944 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.707 11.466 14.437 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -9.230 10.310 13.599 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -7.187 11.506 14.405 1.00 0.00 C ATOM 0 H LEU A 82 -10.101 14.916 12.735 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.833 13.079 12.388 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.971 13.581 14.626 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.375 12.735 14.006 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.025 11.313 15.468 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.806 9.375 13.964 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.317 10.269 13.673 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.943 10.456 12.558 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.790 10.554 14.759 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.849 11.683 13.384 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.831 12.310 15.049 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.852 11.532 10.766 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.413 10.633 9.764 1.00 0.00 C ATOM 1255 C TYR A 83 -9.238 9.176 10.180 1.00 0.00 C ATOM 1256 O TYR A 83 -8.293 8.830 10.889 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.749 10.871 8.406 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.418 11.951 7.587 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -9.208 13.295 7.869 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -10.258 11.628 6.528 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.817 14.285 7.123 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -10.870 12.611 5.776 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.647 13.938 6.077 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.254 14.922 5.331 1.00 0.00 O ATOM 0 H TYR A 83 -7.835 11.503 10.836 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.479 10.842 9.681 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.705 11.140 8.564 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.756 9.940 7.839 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.557 13.570 8.686 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.435 10.590 6.289 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.644 15.325 7.357 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.520 12.342 4.956 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.805 14.510 4.633 1.00 0.00 H new ATOM 1274 N SER A 84 -10.157 8.325 9.734 1.00 0.00 N ATOM 1275 CA SER A 84 -10.107 6.905 10.061 1.00 0.00 C ATOM 1276 C SER A 84 -9.670 6.084 8.852 1.00 0.00 C ATOM 1277 O SER A 84 -10.443 5.876 7.916 1.00 0.00 O ATOM 1278 CB SER A 84 -11.475 6.425 10.551 1.00 0.00 C ATOM 1279 OG SER A 84 -11.453 5.040 10.846 1.00 0.00 O ATOM 0 H SER A 84 -10.945 8.595 9.145 1.00 0.00 H new ATOM 0 HA SER A 84 -9.375 6.766 10.856 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.763 6.985 11.441 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.229 6.626 9.790 1.00 0.00 H new ATOM 0 HG SER A 84 -12.338 4.758 11.158 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.426 5.619 8.880 1.00 0.00 N ATOM 1286 CA LEU A 85 -7.884 4.819 7.787 1.00 0.00 C ATOM 1287 C LEU A 85 -7.992 3.329 8.096 1.00 0.00 C ATOM 1288 O LEU A 85 -7.881 2.914 9.250 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.423 5.194 7.530 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.037 6.640 7.840 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.525 6.786 7.906 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.620 7.583 6.797 1.00 0.00 C ATOM 0 H LEU A 85 -7.774 5.782 9.647 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.469 5.028 6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.790 4.535 8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.197 4.995 6.482 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.450 6.906 8.813 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.269 7.822 8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.131 6.139 8.690 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.090 6.502 6.948 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.335 8.608 7.034 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.236 7.318 5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.707 7.499 6.798 1.00 0.00 H new ATOM 1304 N THR A 86 -8.207 2.528 7.057 1.00 0.00 N ATOM 1305 CA THR A 86 -8.329 1.085 7.217 1.00 0.00 C ATOM 1306 C THR A 86 -7.913 0.353 5.946 1.00 0.00 C ATOM 1307 O THR A 86 -8.586 0.441 4.918 1.00 0.00 O ATOM 1308 CB THR A 86 -9.770 0.679 7.580 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.224 1.440 8.705 1.00 0.00 O ATOM 1310 CG2 THR A 86 -9.850 -0.806 7.900 1.00 0.00 C ATOM 0 H THR A 86 -8.300 2.855 6.095 1.00 0.00 H new ATOM 0 HA THR A 86 -7.663 0.801 8.032 1.00 0.00 H new ATOM 0 HB THR A 86 -10.409 0.884 6.721 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.141 1.177 8.929 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.877 -1.069 8.153 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.531 -1.383 7.032 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.199 -1.032 8.745 1.00 0.00 H new ATOM 1318 N LEU A 87 -6.800 -0.369 6.022 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.294 -1.117 4.877 1.00 0.00 C ATOM 1320 C LEU A 87 -6.891 -2.520 4.836 1.00 0.00 C ATOM 1321 O LEU A 87 -7.220 -3.096 5.873 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.768 -1.202 4.932 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.058 -1.418 3.595 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -3.939 -0.106 2.836 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.686 -2.037 3.813 1.00 0.00 C ATOM 0 H LEU A 87 -6.231 -0.452 6.865 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.590 -0.589 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.389 -0.282 5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.494 -2.017 5.602 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.654 -2.107 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.431 -0.279 1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.934 0.296 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.366 0.607 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.196 -2.183 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.081 -1.373 4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.796 -2.999 4.314 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.027 -3.064 3.632 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.585 -4.400 3.455 1.00 0.00 C ATOM 1339 C TYR A 88 -6.703 -5.242 2.538 1.00 0.00 C ATOM 1340 O TYR A 88 -6.604 -4.979 1.341 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.000 -4.313 2.881 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.029 -3.828 3.878 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.511 -4.670 4.873 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.518 -2.529 3.825 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.452 -4.232 5.785 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.458 -2.082 4.734 1.00 0.00 C ATOM 1347 CZ TYR A 88 -11.922 -2.937 5.711 1.00 0.00 C ATOM 1348 OH TYR A 88 -12.858 -2.496 6.619 1.00 0.00 O ATOM 0 H TYR A 88 -6.759 -2.601 2.764 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.626 -4.881 4.432 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.994 -3.642 2.022 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.296 -5.296 2.515 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.144 -5.684 4.934 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.157 -1.857 3.060 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.817 -4.899 6.551 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.827 -1.069 4.679 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.083 -1.561 6.429 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.064 -6.257 3.111 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.199 -7.123 2.332 1.00 0.00 C ATOM 1360 C GLY A 89 -5.976 -8.035 1.404 1.00 0.00 C ATOM 1361 O GLY A 89 -6.257 -9.186 1.743 1.00 0.00 O ATOM 0 H GLY A 89 -6.130 -6.495 4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.512 -6.513 1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.592 -7.727 3.006 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.325 -7.522 0.229 1.00 0.00 N ATOM 1366 CA LEU A 90 -7.077 -8.298 -0.751 1.00 0.00 C ATOM 1367 C LEU A 90 -6.233 -9.443 -1.302 1.00 0.00 C ATOM 1368 O LEU A 90 -5.277 -9.221 -2.046 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.543 -7.396 -1.896 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.846 -6.632 -1.660 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -10.026 -7.591 -1.614 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.764 -5.822 -0.375 1.00 0.00 C ATOM 0 H LEU A 90 -6.099 -6.573 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.949 -8.721 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.755 -6.673 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.661 -8.009 -2.790 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.997 -5.943 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.945 -7.029 -1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.097 -8.127 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.883 -8.305 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.700 -5.285 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.589 -6.492 0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.944 -5.108 -0.447 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.593 -10.668 -0.934 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.870 -11.848 -1.392 1.00 0.00 C ATOM 1386 C ARG A 91 -6.594 -12.510 -2.561 1.00 0.00 C ATOM 1387 O ARG A 91 -6.474 -13.715 -2.776 1.00 0.00 O ATOM 1388 CB ARG A 91 -5.706 -12.848 -0.247 1.00 0.00 C ATOM 1389 CG ARG A 91 -4.687 -13.939 -0.532 1.00 0.00 C ATOM 1390 CD ARG A 91 -5.041 -15.233 0.183 1.00 0.00 C ATOM 1391 NE ARG A 91 -4.458 -15.297 1.521 1.00 0.00 N ATOM 1392 CZ ARG A 91 -3.189 -15.612 1.756 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -2.375 -15.891 0.747 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -2.733 -15.648 3.001 1.00 0.00 N ATOM 0 H ARG A 91 -7.382 -10.869 -0.319 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.884 -11.530 -1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.408 -12.311 0.653 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.671 -13.310 -0.038 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.635 -14.118 -1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.698 -13.606 -0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.125 -15.322 0.255 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.690 -16.080 -0.406 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.058 -15.088 2.319 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.723 -15.864 -0.211 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.401 -16.133 0.929 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.357 -15.434 3.779 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.758 -15.890 3.180 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.348 -11.712 -3.312 1.00 0.00 N ATOM 1409 CA GLY A 92 -8.081 -12.239 -4.448 1.00 0.00 C ATOM 1410 C GLY A 92 -9.490 -11.687 -4.535 1.00 0.00 C ATOM 1411 O GLY A 92 -9.704 -10.475 -4.576 1.00 0.00 O ATOM 0 H GLY A 92 -7.464 -10.711 -3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.543 -12.001 -5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.124 -13.326 -4.377 1.00 0.00 H new ATOM 1415 N PRO A 93 -10.482 -12.589 -4.567 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.895 -12.209 -4.651 1.00 0.00 C ATOM 1417 C PRO A 93 -12.398 -11.556 -3.368 1.00 0.00 C ATOM 1418 O PRO A 93 -13.243 -10.661 -3.404 1.00 0.00 O ATOM 1419 CB PRO A 93 -12.608 -13.543 -4.887 1.00 0.00 C ATOM 1420 CG PRO A 93 -11.695 -14.568 -4.306 1.00 0.00 C ATOM 1421 CD PRO A 93 -10.300 -14.050 -4.522 1.00 0.00 C ATOM 0 HA PRO A 93 -12.072 -11.471 -5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.584 -13.562 -4.402 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.777 -13.719 -5.949 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.897 -14.714 -3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.832 -15.534 -4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.631 -14.347 -3.714 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.869 -14.430 -5.448 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.872 -12.010 -2.234 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.267 -11.468 -0.938 1.00 0.00 C ATOM 1431 C HIS A 94 -11.048 -10.998 -0.151 1.00 0.00 C ATOM 1432 O HIS A 94 -9.925 -11.432 -0.408 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.033 -12.520 -0.134 1.00 0.00 C ATOM 1434 CG HIS A 94 -13.928 -13.380 -0.973 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -15.062 -12.904 -1.596 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -13.849 -14.693 -1.291 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -15.643 -13.887 -2.260 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -14.927 -14.984 -2.091 1.00 0.00 N ATOM 0 H HIS A 94 -11.172 -12.751 -2.186 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.917 -10.611 -1.113 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -12.319 -13.155 0.390 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -13.632 -12.019 0.626 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -13.081 -15.384 -0.975 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -16.549 -13.807 -2.842 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -15.140 -15.898 -2.490 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.276 -10.107 0.808 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.197 -9.578 1.634 1.00 0.00 C ATOM 1449 C LYS A 95 -9.686 -10.636 2.606 1.00 0.00 C ATOM 1450 O LYS A 95 -10.460 -11.436 3.130 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.677 -8.348 2.408 1.00 0.00 C ATOM 1452 CG LYS A 95 -11.278 -7.269 1.524 1.00 0.00 C ATOM 1453 CD LYS A 95 -12.255 -6.397 2.294 1.00 0.00 C ATOM 1454 CE LYS A 95 -12.660 -5.170 1.492 1.00 0.00 C ATOM 1455 NZ LYS A 95 -13.583 -4.287 2.257 1.00 0.00 N ATOM 0 H LYS A 95 -12.199 -9.736 1.033 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.377 -9.289 0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.419 -8.659 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.837 -7.927 2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.481 -6.649 1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.789 -7.732 0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.143 -6.978 2.545 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.802 -6.085 3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.769 -4.608 1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.142 -5.484 0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.836 -3.462 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.445 -4.815 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.114 -3.966 3.128 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.378 -10.634 2.842 1.00 0.00 N ATOM 1470 CA ALA A 96 -7.765 -11.591 3.754 1.00 0.00 C ATOM 1471 C ALA A 96 -7.506 -10.962 5.118 1.00 0.00 C ATOM 1472 O ALA A 96 -7.978 -11.457 6.142 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.470 -12.128 3.163 1.00 0.00 C ATOM 0 H ALA A 96 -7.723 -9.980 2.414 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.459 -12.420 3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.023 -12.842 3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.681 -12.624 2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.777 -11.303 2.995 1.00 0.00 H new ATOM 1479 N ASP A 97 -6.752 -9.867 5.126 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.430 -9.169 6.365 1.00 0.00 C ATOM 1481 C ASP A 97 -6.883 -7.714 6.303 1.00 0.00 C ATOM 1482 O ASP A 97 -7.280 -7.222 5.247 1.00 0.00 O ATOM 1483 CB ASP A 97 -4.926 -9.237 6.637 1.00 0.00 C ATOM 1484 CG ASP A 97 -4.552 -8.628 7.974 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -5.133 -9.044 8.999 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -3.678 -7.737 7.996 1.00 0.00 O ATOM 0 H ASP A 97 -6.353 -9.444 4.288 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.962 -9.661 7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.602 -10.277 6.611 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -4.392 -8.717 5.842 1.00 0.00 H new ATOM 1491 N SER A 98 -6.822 -7.031 7.441 1.00 0.00 N ATOM 1492 CA SER A 98 -7.231 -5.634 7.518 1.00 0.00 C ATOM 1493 C SER A 98 -6.617 -4.954 8.737 1.00 0.00 C ATOM 1494 O SER A 98 -6.529 -5.546 9.813 1.00 0.00 O ATOM 1495 CB SER A 98 -8.756 -5.529 7.575 1.00 0.00 C ATOM 1496 OG SER A 98 -9.265 -6.138 8.749 1.00 0.00 O ATOM 0 H SER A 98 -6.493 -7.423 8.323 1.00 0.00 H new ATOM 0 HA SER A 98 -6.872 -5.127 6.622 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.053 -4.481 7.547 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.190 -6.006 6.696 1.00 0.00 H new ATOM 0 HG SER A 98 -10.241 -6.056 8.763 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.193 -3.707 8.561 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.588 -2.945 9.646 1.00 0.00 C ATOM 1504 C ILE A 99 -6.309 -1.618 9.855 1.00 0.00 C ATOM 1505 O ILE A 99 -7.121 -1.205 9.027 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.096 -2.670 9.377 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.399 -2.218 10.662 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.940 -1.621 8.287 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -1.913 -2.501 10.675 1.00 0.00 C ATOM 0 H ILE A 99 -6.257 -3.203 7.677 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.681 -3.551 10.547 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.627 -3.593 9.036 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.558 -1.148 10.795 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.863 -2.717 11.512 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.881 -1.437 8.108 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.407 -1.978 7.369 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.421 -0.695 8.602 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.485 -2.154 11.615 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.746 -3.573 10.574 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.436 -1.980 9.845 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.004 -0.953 10.965 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.623 0.328 11.282 1.00 0.00 C ATOM 1523 C GLN A 100 -5.568 1.364 11.656 1.00 0.00 C ATOM 1524 O GLN A 100 -4.881 1.228 12.667 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.624 0.166 12.427 1.00 0.00 C ATOM 1526 CG GLN A 100 -8.919 -0.512 12.011 1.00 0.00 C ATOM 1527 CD GLN A 100 -9.682 -1.085 13.189 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -9.243 -0.986 14.335 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -10.832 -1.689 12.913 1.00 0.00 N ATOM 0 H GLN A 100 -5.332 -1.280 11.659 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.151 0.677 10.395 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.160 -0.414 13.225 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.854 1.148 12.839 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.550 0.208 11.489 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.696 -1.311 11.304 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.158 -1.748 11.948 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.389 -2.094 13.666 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.445 2.401 10.832 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.472 3.445 11.093 1.00 0.00 C ATOM 1540 C GLY A 101 -5.109 4.815 11.214 1.00 0.00 C ATOM 1541 O GLY A 101 -5.788 5.276 10.296 1.00 0.00 O ATOM 0 H GLY A 101 -6.002 2.536 9.988 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.935 3.215 12.013 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.736 3.460 10.290 1.00 0.00 H new ATOM 1545 N THR A 102 -4.892 5.469 12.351 1.00 0.00 N ATOM 1546 CA THR A 102 -5.452 6.793 12.589 1.00 0.00 C ATOM 1547 C THR A 102 -4.394 7.877 12.415 1.00 0.00 C ATOM 1548 O THR A 102 -3.221 7.669 12.724 1.00 0.00 O ATOM 1549 CB THR A 102 -6.053 6.902 14.003 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.206 6.240 14.949 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.446 6.291 14.047 1.00 0.00 C ATOM 0 H THR A 102 -4.332 5.103 13.121 1.00 0.00 H new ATOM 0 HA THR A 102 -6.243 6.939 11.853 1.00 0.00 H new ATOM 0 HB THR A 102 -6.128 7.958 14.261 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.595 6.316 15.845 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.850 6.379 15.055 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.096 6.817 13.348 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.391 5.238 13.769 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.817 9.035 11.918 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.906 10.153 11.706 1.00 0.00 C ATOM 1561 C ALA A 103 -4.661 11.477 11.668 1.00 0.00 C ATOM 1562 O ALA A 103 -5.822 11.529 11.262 1.00 0.00 O ATOM 1563 CB ALA A 103 -3.120 9.955 10.418 1.00 0.00 C ATOM 0 H ALA A 103 -5.784 9.223 11.655 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.209 10.186 12.544 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.443 10.797 10.272 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.543 9.033 10.482 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.810 9.893 9.576 1.00 0.00 H new ATOM 1569 N ARG A 104 -3.995 12.545 12.095 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.605 13.869 12.112 1.00 0.00 C ATOM 1571 C ARG A 104 -3.835 14.834 11.216 1.00 0.00 C ATOM 1572 O ARG A 104 -2.656 15.106 11.445 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.655 14.413 13.542 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.665 15.532 13.733 1.00 0.00 C ATOM 1575 CD ARG A 104 -5.783 15.933 15.195 1.00 0.00 C ATOM 1576 NE ARG A 104 -6.692 17.060 15.382 1.00 0.00 N ATOM 1577 CZ ARG A 104 -7.288 17.340 16.536 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -7.071 16.578 17.600 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -8.102 18.383 16.628 1.00 0.00 N ATOM 0 H ARG A 104 -3.033 12.519 12.434 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.622 13.778 11.729 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.896 13.597 14.224 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.665 14.777 13.818 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.368 16.397 13.140 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.639 15.212 13.363 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.137 15.082 15.777 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -4.797 16.195 15.580 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.880 17.666 14.583 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -6.445 15.775 17.533 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.530 16.795 18.485 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.271 18.971 15.812 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.559 18.597 17.515 1.00 0.00 H new ATOM 1593 N THR A 105 -4.509 15.350 10.192 1.00 0.00 N ATOM 1594 CA THR A 105 -3.888 16.282 9.260 1.00 0.00 C ATOM 1595 C THR A 105 -3.384 17.527 9.982 1.00 0.00 C ATOM 1596 O THR A 105 -3.589 17.685 11.186 1.00 0.00 O ATOM 1597 CB THR A 105 -4.871 16.708 8.153 1.00 0.00 C ATOM 1598 OG1 THR A 105 -6.146 17.022 8.724 1.00 0.00 O ATOM 1599 CG2 THR A 105 -5.031 15.605 7.118 1.00 0.00 C ATOM 0 H THR A 105 -5.485 15.137 9.988 1.00 0.00 H new ATOM 0 HA THR A 105 -3.045 15.761 8.807 1.00 0.00 H new ATOM 0 HB THR A 105 -4.467 17.592 7.659 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.671 17.546 8.084 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.730 15.929 6.346 1.00 0.00 H new ATOM 0 HG22 THR A 105 -4.064 15.389 6.664 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.414 14.706 7.601 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.724 18.409 9.239 1.00 0.00 N ATOM 1608 CA LEU A 106 -2.190 19.641 9.809 1.00 0.00 C ATOM 1609 C LEU A 106 -3.075 20.832 9.455 1.00 0.00 C ATOM 1610 O LEU A 106 -3.803 20.805 8.463 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.766 19.883 9.307 1.00 0.00 C ATOM 1612 CG LEU A 106 0.272 18.830 9.700 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.569 19.048 8.936 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.523 18.863 11.200 1.00 0.00 C ATOM 0 H LEU A 106 -2.546 18.294 8.241 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.173 19.533 10.894 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.792 19.951 8.219 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.431 20.851 9.679 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.119 17.847 9.439 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.295 18.290 9.228 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.378 18.973 7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.965 20.037 9.166 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.264 18.108 11.462 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.893 19.848 11.485 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.407 18.657 11.729 1.00 0.00 H new ATOM 1626 N SER A 107 -3.005 21.878 10.273 1.00 0.00 N ATOM 1627 CA SER A 107 -3.801 23.079 10.047 1.00 0.00 C ATOM 1628 C SER A 107 -3.129 23.992 9.026 1.00 0.00 C ATOM 1629 O SER A 107 -3.793 24.597 8.185 1.00 0.00 O ATOM 1630 CB SER A 107 -4.010 23.832 11.362 1.00 0.00 C ATOM 1631 OG SER A 107 -2.807 24.443 11.797 1.00 0.00 O ATOM 0 H SER A 107 -2.406 21.918 11.097 1.00 0.00 H new ATOM 0 HA SER A 107 -4.770 22.774 9.653 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.781 24.592 11.231 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.368 23.143 12.126 1.00 0.00 H new ATOM 0 HG SER A 107 -2.968 24.919 12.638 1.00 0.00 H new