USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 763 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 75 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 94 TYR OH : rot 66:sc= -0.126 USER MOD Set 2.1: A 59 HIS : no HD1:sc= 0.58 K(o=0.88,f=-4!) USER MOD Set 2.2: A 61 TYR OH : rot -111:sc= 0.299 USER MOD Single : A 12 SER OG : rot 28:sc= 0.0218 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= -0.618 K(o=-0.62,f=-1.7) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -28:sc= -0.587 USER MOD Single : A 41 SER OG : rot -170:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 91:sc= -3.46! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.013) USER MOD Single : A 60 THR OG1 : rot 43:sc= 0.032 USER MOD Single : A 74 GLN : amide:sc= -0.248 K(o=-0.25,f=-0.77) USER MOD Single : A 76 SER OG : rot -64:sc= 0.0574 USER MOD Single : A 77 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.22) USER MOD Single : A 85 GLN : amide:sc= 0.0917 X(o=0.092,f=-0.012) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.561 X(o=-0.56,f=-0.8) USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 99 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.6) USER MOD Single : A 103 CYS SG : rot 100:sc= -9.66! USER MOD ----------------------------------------------------------------- ATOM 181 N SER A 12 -1.526 -5.483 -13.061 1.00 0.00 N ATOM 182 CA SER A 12 -0.207 -4.902 -12.805 1.00 0.00 C ATOM 183 C SER A 12 -0.450 -3.671 -11.914 1.00 0.00 C ATOM 184 O SER A 12 -0.901 -2.631 -12.406 1.00 0.00 O ATOM 185 CB SER A 12 0.503 -4.499 -14.134 1.00 0.00 C ATOM 186 OG SER A 12 0.691 -5.612 -14.992 1.00 0.00 O ATOM 0 HA SER A 12 0.450 -5.622 -12.317 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.090 -3.741 -14.647 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.469 -4.048 -13.907 1.00 0.00 H new ATOM 0 HG SER A 12 -0.009 -6.277 -14.824 1.00 0.00 H new ATOM 192 N TRP A 13 -0.174 -3.795 -10.607 1.00 0.00 N ATOM 193 CA TRP A 13 -0.644 -2.826 -9.578 1.00 0.00 C ATOM 194 C TRP A 13 0.266 -1.589 -9.440 1.00 0.00 C ATOM 195 O TRP A 13 -0.052 -0.693 -8.661 1.00 0.00 O ATOM 196 CB TRP A 13 -0.823 -3.539 -8.190 1.00 0.00 C ATOM 197 CG TRP A 13 0.189 -4.639 -7.881 1.00 0.00 C ATOM 198 CD1 TRP A 13 -0.071 -5.982 -7.827 1.00 0.00 C ATOM 199 CD2 TRP A 13 1.602 -4.509 -7.608 1.00 0.00 C ATOM 200 NE1 TRP A 13 1.068 -6.680 -7.542 1.00 0.00 N ATOM 201 CE2 TRP A 13 2.109 -5.807 -7.405 1.00 0.00 C ATOM 202 CE3 TRP A 13 2.487 -3.433 -7.525 1.00 0.00 C ATOM 203 CZ2 TRP A 13 3.448 -6.054 -7.115 1.00 0.00 C ATOM 204 CZ3 TRP A 13 3.818 -3.677 -7.237 1.00 0.00 C ATOM 205 CH2 TRP A 13 4.288 -4.980 -7.039 1.00 0.00 C ATOM 0 H TRP A 13 0.378 -4.563 -10.224 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.610 -2.457 -9.923 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -0.766 -2.786 -7.404 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.824 -3.968 -8.148 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -1.042 -6.428 -7.987 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.131 -7.694 -7.447 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.138 -2.423 -7.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.810 -7.059 -6.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 4.506 -2.848 -7.164 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.334 -5.139 -6.822 1.00 0.00 H new ATOM 216 N TYR A 14 1.339 -1.483 -10.243 1.00 0.00 N ATOM 217 CA TYR A 14 2.365 -0.438 -10.041 1.00 0.00 C ATOM 218 C TYR A 14 2.182 0.640 -11.111 1.00 0.00 C ATOM 219 O TYR A 14 2.645 0.489 -12.246 1.00 0.00 O ATOM 220 CB TYR A 14 3.812 -1.014 -10.066 1.00 0.00 C ATOM 221 CG TYR A 14 4.898 0.038 -9.797 1.00 0.00 C ATOM 222 CD1 TYR A 14 4.881 0.796 -8.626 1.00 0.00 C ATOM 223 CD2 TYR A 14 5.932 0.275 -10.706 1.00 0.00 C ATOM 224 CE1 TYR A 14 5.846 1.741 -8.368 1.00 0.00 C ATOM 225 CE2 TYR A 14 6.903 1.219 -10.450 1.00 0.00 C ATOM 226 CZ TYR A 14 6.854 1.952 -9.279 1.00 0.00 C ATOM 227 OH TYR A 14 7.816 2.899 -9.020 1.00 0.00 O ATOM 0 H TYR A 14 1.520 -2.102 -11.033 1.00 0.00 H new ATOM 0 HA TYR A 14 2.231 -0.005 -9.050 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.892 -1.805 -9.320 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.995 -1.472 -11.038 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.092 0.637 -7.906 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.971 -0.291 -11.625 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.812 2.315 -7.454 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.699 1.385 -11.161 1.00 0.00 H new ATOM 0 HH TYR A 14 8.457 2.925 -9.761 1.00 0.00 H new ATOM 237 N HIS A 15 1.472 1.714 -10.750 1.00 0.00 N ATOM 238 CA HIS A 15 1.181 2.843 -11.635 1.00 0.00 C ATOM 239 C HIS A 15 1.982 4.043 -11.129 1.00 0.00 C ATOM 240 O HIS A 15 1.514 4.785 -10.250 1.00 0.00 O ATOM 241 CB HIS A 15 -0.351 3.164 -11.638 1.00 0.00 C ATOM 242 CG HIS A 15 -1.232 1.946 -11.648 1.00 0.00 C ATOM 243 ND1 HIS A 15 -1.478 1.204 -12.779 1.00 0.00 N ATOM 244 CD2 HIS A 15 -1.893 1.320 -10.644 1.00 0.00 C ATOM 245 CE1 HIS A 15 -2.256 0.188 -12.474 1.00 0.00 C ATOM 246 NE2 HIS A 15 -2.515 0.233 -11.187 1.00 0.00 N ATOM 0 H HIS A 15 1.077 1.823 -9.816 1.00 0.00 H new ATOM 0 HA HIS A 15 1.462 2.603 -12.660 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.588 3.763 -10.759 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.582 3.774 -12.511 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -1.114 1.409 -13.709 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.922 1.624 -9.608 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.620 -0.557 -13.165 1.00 0.00 H new ATOM 255 N ARG A 16 3.217 4.203 -11.632 1.00 0.00 N ATOM 256 CA ARG A 16 4.095 5.330 -11.251 1.00 0.00 C ATOM 257 C ARG A 16 3.740 6.594 -12.066 1.00 0.00 C ATOM 258 O ARG A 16 4.595 7.245 -12.666 1.00 0.00 O ATOM 259 CB ARG A 16 5.606 4.907 -11.333 1.00 0.00 C ATOM 260 CG ARG A 16 6.062 4.101 -12.591 1.00 0.00 C ATOM 261 CD ARG A 16 6.586 4.956 -13.777 1.00 0.00 C ATOM 262 NE ARG A 16 5.550 5.305 -14.769 1.00 0.00 N ATOM 263 CZ ARG A 16 5.763 5.406 -16.097 1.00 0.00 C ATOM 264 NH1 ARG A 16 6.981 5.280 -16.614 1.00 0.00 N ATOM 265 NH2 ARG A 16 4.750 5.647 -16.902 1.00 0.00 N ATOM 0 H ARG A 16 3.635 3.564 -12.308 1.00 0.00 H new ATOM 0 HA ARG A 16 3.923 5.596 -10.208 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.212 5.811 -11.275 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.837 4.311 -10.450 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.847 3.406 -12.291 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.222 3.501 -12.941 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.023 5.874 -13.384 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.386 4.412 -14.279 1.00 0.00 H new ATOM 0 HE ARG A 16 4.606 5.482 -14.426 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.779 5.103 -16.003 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.118 5.360 -17.622 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.810 5.756 -16.521 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.905 5.725 -17.907 1.00 0.00 H new ATOM 279 N ASP A 17 2.434 6.933 -12.027 1.00 0.00 N ATOM 280 CA ASP A 17 1.802 8.018 -12.802 1.00 0.00 C ATOM 281 C ASP A 17 0.657 8.644 -11.983 1.00 0.00 C ATOM 282 O ASP A 17 0.217 9.757 -12.278 1.00 0.00 O ATOM 283 CB ASP A 17 1.207 7.483 -14.138 1.00 0.00 C ATOM 284 CG ASP A 17 2.246 6.835 -15.061 1.00 0.00 C ATOM 285 OD1 ASP A 17 2.924 7.570 -15.819 1.00 0.00 O ATOM 286 OD2 ASP A 17 2.414 5.593 -15.021 1.00 0.00 O ATOM 0 H ASP A 17 1.768 6.440 -11.433 1.00 0.00 H new ATOM 0 HA ASP A 17 2.570 8.759 -13.021 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.429 6.753 -13.912 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.728 8.306 -14.667 1.00 0.00 H new ATOM 291 N LEU A 18 0.190 7.916 -10.948 1.00 0.00 N ATOM 292 CA LEU A 18 -1.089 8.193 -10.272 1.00 0.00 C ATOM 293 C LEU A 18 -0.836 8.684 -8.828 1.00 0.00 C ATOM 294 O LEU A 18 -0.500 7.883 -7.955 1.00 0.00 O ATOM 295 CB LEU A 18 -1.971 6.903 -10.298 1.00 0.00 C ATOM 296 CG LEU A 18 -3.459 7.067 -9.835 1.00 0.00 C ATOM 297 CD1 LEU A 18 -4.221 8.099 -10.700 1.00 0.00 C ATOM 298 CD2 LEU A 18 -4.198 5.706 -9.810 1.00 0.00 C ATOM 0 H LEU A 18 0.692 7.118 -10.558 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.622 8.987 -10.795 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.971 6.509 -11.314 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.497 6.152 -9.666 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.435 7.452 -8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.248 8.183 -10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.731 9.070 -10.624 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.221 7.773 -11.740 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.227 5.857 -9.484 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.194 5.271 -10.809 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.694 5.031 -9.118 1.00 0.00 H new ATOM 310 N SER A 19 -0.917 10.021 -8.638 1.00 0.00 N ATOM 311 CA SER A 19 -0.859 10.704 -7.317 1.00 0.00 C ATOM 312 C SER A 19 -1.776 10.044 -6.260 1.00 0.00 C ATOM 313 O SER A 19 -2.773 9.421 -6.611 1.00 0.00 O ATOM 314 CB SER A 19 -1.248 12.189 -7.506 1.00 0.00 C ATOM 315 OG SER A 19 -2.542 12.321 -8.094 1.00 0.00 O ATOM 0 H SER A 19 -1.027 10.673 -9.414 1.00 0.00 H new ATOM 0 HA SER A 19 0.160 10.618 -6.940 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.232 12.696 -6.541 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.509 12.682 -8.137 1.00 0.00 H new ATOM 0 HG SER A 19 -2.759 13.271 -8.198 1.00 0.00 H new ATOM 321 N ARG A 20 -1.455 10.263 -4.960 1.00 0.00 N ATOM 322 CA ARG A 20 -2.123 9.569 -3.827 1.00 0.00 C ATOM 323 C ARG A 20 -3.615 9.930 -3.726 1.00 0.00 C ATOM 324 O ARG A 20 -4.439 9.076 -3.382 1.00 0.00 O ATOM 325 CB ARG A 20 -1.405 9.870 -2.480 1.00 0.00 C ATOM 326 CG ARG A 20 -1.288 11.388 -2.091 1.00 0.00 C ATOM 327 CD ARG A 20 -1.812 11.713 -0.674 1.00 0.00 C ATOM 328 NE ARG A 20 -3.276 11.529 -0.573 1.00 0.00 N ATOM 329 CZ ARG A 20 -4.191 12.508 -0.668 1.00 0.00 C ATOM 330 NH1 ARG A 20 -3.831 13.774 -0.780 1.00 0.00 N ATOM 331 NH2 ARG A 20 -5.474 12.209 -0.655 1.00 0.00 N ATOM 0 H ARG A 20 -0.732 10.920 -4.668 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.052 8.500 -4.030 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.936 9.350 -1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.401 9.447 -2.523 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.243 11.691 -2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.841 11.983 -2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.314 11.072 0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.557 12.742 -0.419 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.619 10.581 -0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.842 14.024 -0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.542 14.502 -0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.770 11.236 -0.573 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.171 12.950 -0.727 1.00 0.00 H new ATOM 345 N ALA A 21 -3.939 11.206 -4.015 1.00 0.00 N ATOM 346 CA ALA A 21 -5.325 11.709 -4.025 1.00 0.00 C ATOM 347 C ALA A 21 -6.164 10.988 -5.087 1.00 0.00 C ATOM 348 O ALA A 21 -7.237 10.458 -4.793 1.00 0.00 O ATOM 349 CB ALA A 21 -5.334 13.234 -4.255 1.00 0.00 C ATOM 0 H ALA A 21 -3.245 11.917 -4.248 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.775 11.503 -3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.362 13.595 -4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.781 13.726 -3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.865 13.460 -5.212 1.00 0.00 H new ATOM 355 N ALA A 22 -5.639 10.955 -6.319 1.00 0.00 N ATOM 356 CA ALA A 22 -6.301 10.294 -7.456 1.00 0.00 C ATOM 357 C ALA A 22 -6.240 8.757 -7.344 1.00 0.00 C ATOM 358 O ALA A 22 -7.024 8.059 -7.988 1.00 0.00 O ATOM 359 CB ALA A 22 -5.678 10.777 -8.763 1.00 0.00 C ATOM 0 H ALA A 22 -4.745 11.384 -6.557 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.356 10.566 -7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.169 10.287 -9.603 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.803 11.856 -8.849 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.616 10.533 -8.771 1.00 0.00 H new ATOM 365 N ALA A 23 -5.292 8.249 -6.533 1.00 0.00 N ATOM 366 CA ALA A 23 -5.129 6.806 -6.284 1.00 0.00 C ATOM 367 C ALA A 23 -6.300 6.262 -5.455 1.00 0.00 C ATOM 368 O ALA A 23 -6.981 5.334 -5.884 1.00 0.00 O ATOM 369 CB ALA A 23 -3.793 6.532 -5.577 1.00 0.00 C ATOM 0 H ALA A 23 -4.618 8.829 -6.033 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.124 6.290 -7.244 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.688 5.462 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.972 6.879 -6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.770 7.061 -4.624 1.00 0.00 H new ATOM 375 N GLU A 24 -6.533 6.877 -4.276 1.00 0.00 N ATOM 376 CA GLU A 24 -7.614 6.469 -3.345 1.00 0.00 C ATOM 377 C GLU A 24 -9.008 6.811 -3.905 1.00 0.00 C ATOM 378 O GLU A 24 -10.002 6.167 -3.544 1.00 0.00 O ATOM 379 CB GLU A 24 -7.410 7.129 -1.963 1.00 0.00 C ATOM 380 CG GLU A 24 -7.402 8.670 -1.978 1.00 0.00 C ATOM 381 CD GLU A 24 -7.100 9.279 -0.604 1.00 0.00 C ATOM 382 OE1 GLU A 24 -5.908 9.353 -0.231 1.00 0.00 O ATOM 383 OE2 GLU A 24 -8.042 9.676 0.114 1.00 0.00 O ATOM 0 H GLU A 24 -5.981 7.667 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.562 5.386 -3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.201 6.790 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.467 6.779 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.658 9.017 -2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.371 9.030 -2.324 1.00 0.00 H new ATOM 390 N GLU A 25 -9.055 7.842 -4.767 1.00 0.00 N ATOM 391 CA GLU A 25 -10.264 8.237 -5.508 1.00 0.00 C ATOM 392 C GLU A 25 -10.641 7.090 -6.478 1.00 0.00 C ATOM 393 O GLU A 25 -11.779 6.598 -6.487 1.00 0.00 O ATOM 394 CB GLU A 25 -9.975 9.580 -6.261 1.00 0.00 C ATOM 395 CG GLU A 25 -11.200 10.453 -6.596 1.00 0.00 C ATOM 396 CD GLU A 25 -12.225 9.785 -7.529 1.00 0.00 C ATOM 397 OE1 GLU A 25 -11.886 9.518 -8.709 1.00 0.00 O ATOM 398 OE2 GLU A 25 -13.371 9.544 -7.093 1.00 0.00 O ATOM 0 H GLU A 25 -8.246 8.430 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.108 8.405 -4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.289 10.171 -5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.457 9.346 -7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.699 10.728 -5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.855 11.378 -7.059 1.00 0.00 H new ATOM 405 N LEU A 26 -9.638 6.671 -7.273 1.00 0.00 N ATOM 406 CA LEU A 26 -9.764 5.546 -8.226 1.00 0.00 C ATOM 407 C LEU A 26 -10.078 4.224 -7.487 1.00 0.00 C ATOM 408 O LEU A 26 -10.836 3.413 -7.992 1.00 0.00 O ATOM 409 CB LEU A 26 -8.458 5.434 -9.093 1.00 0.00 C ATOM 410 CG LEU A 26 -8.478 4.520 -10.377 1.00 0.00 C ATOM 411 CD1 LEU A 26 -8.269 3.027 -10.050 1.00 0.00 C ATOM 412 CD2 LEU A 26 -9.764 4.749 -11.204 1.00 0.00 C ATOM 0 H LEU A 26 -8.714 7.103 -7.274 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.602 5.741 -8.896 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.183 6.441 -9.408 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.660 5.074 -8.444 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.627 4.819 -10.989 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.292 2.446 -10.972 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.304 2.893 -9.561 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.063 2.685 -9.386 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.750 4.105 -12.084 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.636 4.512 -10.594 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.814 5.792 -11.518 1.00 0.00 H new ATOM 424 N LEU A 27 -9.513 4.040 -6.278 1.00 0.00 N ATOM 425 CA LEU A 27 -9.752 2.825 -5.461 1.00 0.00 C ATOM 426 C LEU A 27 -11.202 2.793 -4.963 1.00 0.00 C ATOM 427 O LEU A 27 -11.782 1.722 -4.843 1.00 0.00 O ATOM 428 CB LEU A 27 -8.779 2.724 -4.258 1.00 0.00 C ATOM 429 CG LEU A 27 -7.288 2.428 -4.603 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.453 2.311 -3.321 1.00 0.00 C ATOM 431 CD2 LEU A 27 -7.135 1.173 -5.503 1.00 0.00 C ATOM 0 H LEU A 27 -8.886 4.716 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.568 1.966 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.823 3.661 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.139 1.940 -3.591 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.908 3.270 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.415 2.104 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.508 3.246 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.842 1.499 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.080 1.006 -5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.543 0.304 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.675 1.327 -6.437 1.00 0.00 H new ATOM 443 N ALA A 28 -11.758 3.982 -4.687 1.00 0.00 N ATOM 444 CA ALA A 28 -13.151 4.146 -4.231 1.00 0.00 C ATOM 445 C ALA A 28 -14.157 3.788 -5.339 1.00 0.00 C ATOM 446 O ALA A 28 -15.212 3.196 -5.071 1.00 0.00 O ATOM 447 CB ALA A 28 -13.364 5.582 -3.728 1.00 0.00 C ATOM 0 H ALA A 28 -11.253 4.864 -4.774 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.329 3.453 -3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.394 5.701 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.686 5.781 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.163 6.284 -4.537 1.00 0.00 H new ATOM 453 N ARG A 29 -13.816 4.149 -6.584 1.00 0.00 N ATOM 454 CA ARG A 29 -14.689 3.930 -7.753 1.00 0.00 C ATOM 455 C ARG A 29 -14.552 2.508 -8.323 1.00 0.00 C ATOM 456 O ARG A 29 -15.550 1.867 -8.653 1.00 0.00 O ATOM 457 CB ARG A 29 -14.367 4.965 -8.857 1.00 0.00 C ATOM 458 CG ARG A 29 -14.672 6.426 -8.466 1.00 0.00 C ATOM 459 CD ARG A 29 -14.531 7.389 -9.654 1.00 0.00 C ATOM 460 NE ARG A 29 -14.996 8.743 -9.321 1.00 0.00 N ATOM 461 CZ ARG A 29 -15.221 9.733 -10.191 1.00 0.00 C ATOM 462 NH1 ARG A 29 -14.992 9.575 -11.491 1.00 0.00 N ATOM 463 NH2 ARG A 29 -15.651 10.898 -9.731 1.00 0.00 N ATOM 0 H ARG A 29 -12.930 4.600 -6.812 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.718 4.054 -7.415 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.312 4.884 -9.118 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -14.937 4.714 -9.751 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.685 6.489 -8.068 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.996 6.735 -7.669 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.487 7.430 -9.966 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -15.102 7.007 -10.500 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.162 8.946 -8.335 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.638 8.685 -11.842 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.171 10.344 -12.137 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.804 11.026 -8.731 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.829 11.667 -10.377 1.00 0.00 H new ATOM 477 N ALA A 30 -13.310 2.037 -8.438 1.00 0.00 N ATOM 478 CA ALA A 30 -12.979 0.802 -9.174 1.00 0.00 C ATOM 479 C ALA A 30 -13.254 -0.457 -8.339 1.00 0.00 C ATOM 480 O ALA A 30 -14.022 -1.327 -8.753 1.00 0.00 O ATOM 481 CB ALA A 30 -11.518 0.836 -9.643 1.00 0.00 C ATOM 0 H ALA A 30 -12.499 2.497 -8.025 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.629 0.755 -10.048 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.288 -0.082 -10.184 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.367 1.693 -10.300 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.860 0.921 -8.778 1.00 0.00 H new ATOM 487 N GLY A 31 -12.606 -0.547 -7.165 1.00 0.00 N ATOM 488 CA GLY A 31 -12.709 -1.735 -6.305 1.00 0.00 C ATOM 489 C GLY A 31 -13.686 -1.546 -5.156 1.00 0.00 C ATOM 490 O GLY A 31 -14.368 -2.491 -4.740 1.00 0.00 O ATOM 0 H GLY A 31 -12.006 0.189 -6.791 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.023 -2.588 -6.907 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.724 -1.974 -5.903 1.00 0.00 H new ATOM 494 N ARG A 32 -13.705 -0.310 -4.644 1.00 0.00 N ATOM 495 CA ARG A 32 -14.585 0.175 -3.563 1.00 0.00 C ATOM 496 C ARG A 32 -14.323 -0.485 -2.170 1.00 0.00 C ATOM 497 O ARG A 32 -14.834 0.027 -1.171 1.00 0.00 O ATOM 498 CB ARG A 32 -16.083 0.045 -3.994 1.00 0.00 C ATOM 499 CG ARG A 32 -17.078 0.912 -3.178 1.00 0.00 C ATOM 500 CD ARG A 32 -18.524 0.848 -3.697 1.00 0.00 C ATOM 501 NE ARG A 32 -18.623 1.216 -5.127 1.00 0.00 N ATOM 502 CZ ARG A 32 -19.441 2.137 -5.654 1.00 0.00 C ATOM 503 NH1 ARG A 32 -20.185 2.902 -4.881 1.00 0.00 N ATOM 504 NH2 ARG A 32 -19.486 2.304 -6.967 1.00 0.00 N ATOM 0 H ARG A 32 -13.078 0.418 -4.986 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.340 1.227 -3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.167 0.316 -5.047 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.381 -1.000 -3.909 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.060 0.588 -2.138 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.741 1.948 -3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.914 -0.160 -3.555 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.150 1.518 -3.107 1.00 0.00 H new ATOM 0 HE ARG A 32 -18.009 0.721 -5.774 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.143 2.797 -3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.803 3.599 -5.296 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.899 1.732 -7.574 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.108 3.004 -7.371 1.00 0.00 H new ATOM 518 N ASP A 33 -13.457 -1.531 -2.080 1.00 0.00 N ATOM 519 CA ASP A 33 -13.341 -2.447 -0.899 1.00 0.00 C ATOM 520 C ASP A 33 -12.102 -3.339 -1.119 1.00 0.00 C ATOM 521 O ASP A 33 -11.967 -3.936 -2.195 1.00 0.00 O ATOM 522 CB ASP A 33 -14.581 -3.386 -0.685 1.00 0.00 C ATOM 523 CG ASP A 33 -15.844 -2.682 -0.163 1.00 0.00 C ATOM 524 OD1 ASP A 33 -15.835 -2.205 0.992 1.00 0.00 O ATOM 525 OD2 ASP A 33 -16.846 -2.584 -0.906 1.00 0.00 O ATOM 0 H ASP A 33 -12.810 -1.769 -2.832 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.270 -1.816 -0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.818 -3.871 -1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.305 -4.173 0.017 1.00 0.00 H new ATOM 530 N GLY A 34 -11.184 -3.402 -0.130 1.00 0.00 N ATOM 531 CA GLY A 34 -9.986 -4.264 -0.209 1.00 0.00 C ATOM 532 C GLY A 34 -9.006 -3.870 -1.311 1.00 0.00 C ATOM 533 O GLY A 34 -8.063 -4.609 -1.603 1.00 0.00 O ATOM 0 H GLY A 34 -11.251 -2.864 0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.468 -4.237 0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.303 -5.294 -0.371 1.00 0.00 H new ATOM 537 N SER A 35 -9.220 -2.688 -1.890 1.00 0.00 N ATOM 538 CA SER A 35 -8.544 -2.244 -3.107 1.00 0.00 C ATOM 539 C SER A 35 -7.174 -1.652 -2.767 1.00 0.00 C ATOM 540 O SER A 35 -7.029 -1.010 -1.733 1.00 0.00 O ATOM 541 CB SER A 35 -9.443 -1.197 -3.788 1.00 0.00 C ATOM 542 OG SER A 35 -10.789 -1.646 -3.829 1.00 0.00 O ATOM 0 H SER A 35 -9.878 -2.002 -1.520 1.00 0.00 H new ATOM 0 HA SER A 35 -8.377 -3.084 -3.781 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.385 -0.253 -3.247 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.086 -1.007 -4.800 1.00 0.00 H new ATOM 0 HG SER A 35 -10.807 -2.626 -3.848 1.00 0.00 H new ATOM 548 N PHE A 36 -6.169 -1.877 -3.623 1.00 0.00 N ATOM 549 CA PHE A 36 -4.839 -1.287 -3.438 1.00 0.00 C ATOM 550 C PHE A 36 -4.133 -1.128 -4.781 1.00 0.00 C ATOM 551 O PHE A 36 -4.425 -1.846 -5.744 1.00 0.00 O ATOM 552 CB PHE A 36 -3.958 -2.110 -2.447 1.00 0.00 C ATOM 553 CG PHE A 36 -3.398 -3.436 -2.980 1.00 0.00 C ATOM 554 CD1 PHE A 36 -4.171 -4.592 -2.989 1.00 0.00 C ATOM 555 CD2 PHE A 36 -2.082 -3.521 -3.464 1.00 0.00 C ATOM 556 CE1 PHE A 36 -3.657 -5.786 -3.457 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.571 -4.717 -3.928 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.359 -5.848 -3.927 1.00 0.00 C ATOM 0 H PHE A 36 -6.253 -2.465 -4.452 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.983 -0.302 -2.995 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.121 -1.486 -2.133 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.550 -2.321 -1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.187 -4.556 -2.625 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.461 -2.638 -3.473 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.272 -6.674 -3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.555 -4.766 -4.291 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.962 -6.783 -4.294 1.00 0.00 H new ATOM 568 N LEU A 37 -3.206 -0.165 -4.817 1.00 0.00 N ATOM 569 CA LEU A 37 -2.253 0.014 -5.910 1.00 0.00 C ATOM 570 C LEU A 37 -0.981 0.661 -5.354 1.00 0.00 C ATOM 571 O LEU A 37 -1.024 1.371 -4.347 1.00 0.00 O ATOM 572 CB LEU A 37 -2.892 0.838 -7.079 1.00 0.00 C ATOM 573 CG LEU A 37 -3.391 2.304 -6.773 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.258 3.355 -6.873 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.578 2.695 -7.687 1.00 0.00 C ATOM 0 H LEU A 37 -3.098 0.523 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.984 -0.952 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.159 0.897 -7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.741 0.271 -7.461 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.734 2.301 -5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.659 4.344 -6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.473 3.114 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.843 3.348 -7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.899 3.710 -7.452 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.266 2.645 -8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.406 2.005 -7.523 1.00 0.00 H new ATOM 587 N VAL A 38 0.136 0.411 -6.023 1.00 0.00 N ATOM 588 CA VAL A 38 1.436 0.973 -5.679 1.00 0.00 C ATOM 589 C VAL A 38 1.767 2.032 -6.739 1.00 0.00 C ATOM 590 O VAL A 38 1.390 1.901 -7.902 1.00 0.00 O ATOM 591 CB VAL A 38 2.560 -0.135 -5.605 1.00 0.00 C ATOM 592 CG1 VAL A 38 3.921 0.447 -5.118 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.117 -1.309 -4.688 1.00 0.00 C ATOM 0 H VAL A 38 0.165 -0.202 -6.838 1.00 0.00 H new ATOM 0 HA VAL A 38 1.396 1.421 -4.686 1.00 0.00 H new ATOM 0 HB VAL A 38 2.705 -0.513 -6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.665 -0.349 -5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.253 1.223 -5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.799 0.875 -4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.906 -2.060 -4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.927 -0.934 -3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.207 -1.758 -5.086 1.00 0.00 H new ATOM 603 N ARG A 39 2.437 3.076 -6.306 1.00 0.00 N ATOM 604 CA ARG A 39 2.836 4.224 -7.123 1.00 0.00 C ATOM 605 C ARG A 39 4.262 4.622 -6.730 1.00 0.00 C ATOM 606 O ARG A 39 4.883 3.981 -5.870 1.00 0.00 O ATOM 607 CB ARG A 39 1.845 5.416 -6.915 1.00 0.00 C ATOM 608 CG ARG A 39 1.521 5.723 -5.426 1.00 0.00 C ATOM 609 CD ARG A 39 0.741 7.035 -5.211 1.00 0.00 C ATOM 610 NE ARG A 39 1.547 8.222 -5.584 1.00 0.00 N ATOM 611 CZ ARG A 39 2.044 9.136 -4.726 1.00 0.00 C ATOM 612 NH1 ARG A 39 1.774 9.082 -3.430 1.00 0.00 N ATOM 613 NH2 ARG A 39 2.817 10.115 -5.172 1.00 0.00 N ATOM 0 H ARG A 39 2.737 3.162 -5.335 1.00 0.00 H new ATOM 0 HA ARG A 39 2.808 3.958 -8.180 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.267 6.309 -7.375 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.915 5.197 -7.440 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.942 4.897 -5.013 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.454 5.771 -4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.173 7.016 -5.804 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.442 7.113 -4.166 1.00 0.00 H new ATOM 0 HE ARG A 39 1.743 8.359 -6.576 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.180 8.339 -3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.161 9.784 -2.799 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.037 10.178 -6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.192 10.805 -4.521 1.00 0.00 H new ATOM 627 N ASP A 40 4.783 5.665 -7.370 1.00 0.00 N ATOM 628 CA ASP A 40 6.077 6.267 -7.001 1.00 0.00 C ATOM 629 C ASP A 40 5.816 7.395 -5.984 1.00 0.00 C ATOM 630 O ASP A 40 4.745 8.021 -6.000 1.00 0.00 O ATOM 631 CB ASP A 40 6.817 6.810 -8.264 1.00 0.00 C ATOM 632 CG ASP A 40 6.108 8.003 -8.944 1.00 0.00 C ATOM 633 OD1 ASP A 40 4.892 7.907 -9.220 1.00 0.00 O ATOM 634 OD2 ASP A 40 6.759 9.038 -9.204 1.00 0.00 O ATOM 0 H ASP A 40 4.327 6.122 -8.159 1.00 0.00 H new ATOM 0 HA ASP A 40 6.722 5.512 -6.552 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.824 7.114 -7.980 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.920 6.001 -8.988 1.00 0.00 H new ATOM 639 N SER A 41 6.775 7.604 -5.071 1.00 0.00 N ATOM 640 CA SER A 41 6.747 8.730 -4.122 1.00 0.00 C ATOM 641 C SER A 41 6.787 10.074 -4.880 1.00 0.00 C ATOM 642 O SER A 41 7.532 10.197 -5.853 1.00 0.00 O ATOM 643 CB SER A 41 7.935 8.612 -3.160 1.00 0.00 C ATOM 644 OG SER A 41 7.921 7.373 -2.478 1.00 0.00 O ATOM 0 H SER A 41 7.591 7.000 -4.968 1.00 0.00 H new ATOM 0 HA SER A 41 5.821 8.697 -3.548 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.867 8.714 -3.715 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.904 9.428 -2.438 1.00 0.00 H new ATOM 0 HG SER A 41 8.590 7.386 -1.762 1.00 0.00 H new ATOM 650 N GLU A 42 6.002 11.053 -4.376 1.00 0.00 N ATOM 651 CA GLU A 42 5.651 12.339 -5.047 1.00 0.00 C ATOM 652 C GLU A 42 6.787 12.933 -5.910 1.00 0.00 C ATOM 653 O GLU A 42 6.579 13.197 -7.090 1.00 0.00 O ATOM 654 CB GLU A 42 5.190 13.402 -4.007 1.00 0.00 C ATOM 655 CG GLU A 42 3.928 13.043 -3.175 1.00 0.00 C ATOM 656 CD GLU A 42 4.158 12.002 -2.060 1.00 0.00 C ATOM 657 OE1 GLU A 42 4.724 12.365 -1.006 1.00 0.00 O ATOM 658 OE2 GLU A 42 3.812 10.813 -2.251 1.00 0.00 O ATOM 0 H GLU A 42 5.575 10.972 -3.453 1.00 0.00 H new ATOM 0 HA GLU A 42 4.834 12.090 -5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.014 13.587 -3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.999 14.337 -4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.536 13.955 -2.725 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.160 12.666 -3.851 1.00 0.00 H new ATOM 665 N SER A 43 7.977 13.130 -5.323 1.00 0.00 N ATOM 666 CA SER A 43 9.148 13.668 -6.044 1.00 0.00 C ATOM 667 C SER A 43 10.435 12.973 -5.555 1.00 0.00 C ATOM 668 O SER A 43 11.527 13.550 -5.607 1.00 0.00 O ATOM 669 CB SER A 43 9.214 15.209 -5.845 1.00 0.00 C ATOM 670 OG SER A 43 8.039 15.842 -6.334 1.00 0.00 O ATOM 0 H SER A 43 8.158 12.923 -4.341 1.00 0.00 H new ATOM 0 HA SER A 43 9.052 13.467 -7.111 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.339 15.436 -4.786 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.087 15.608 -6.362 1.00 0.00 H new ATOM 0 HG SER A 43 8.107 16.810 -6.195 1.00 0.00 H new ATOM 676 N VAL A 44 10.302 11.707 -5.102 1.00 0.00 N ATOM 677 CA VAL A 44 11.439 10.915 -4.587 1.00 0.00 C ATOM 678 C VAL A 44 11.762 9.778 -5.579 1.00 0.00 C ATOM 679 O VAL A 44 10.962 8.849 -5.759 1.00 0.00 O ATOM 680 CB VAL A 44 11.136 10.325 -3.161 1.00 0.00 C ATOM 681 CG1 VAL A 44 12.391 9.646 -2.556 1.00 0.00 C ATOM 682 CG2 VAL A 44 10.565 11.407 -2.212 1.00 0.00 C ATOM 0 H VAL A 44 9.412 11.210 -5.083 1.00 0.00 H new ATOM 0 HA VAL A 44 12.301 11.575 -4.490 1.00 0.00 H new ATOM 0 HB VAL A 44 10.371 9.557 -3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.150 9.248 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 44 12.714 8.833 -3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.193 10.379 -2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.367 10.966 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.288 12.216 -2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.638 11.802 -2.627 1.00 0.00 H new ATOM 692 N ALA A 45 12.939 9.889 -6.220 1.00 0.00 N ATOM 693 CA ALA A 45 13.410 8.932 -7.237 1.00 0.00 C ATOM 694 C ALA A 45 13.645 7.522 -6.643 1.00 0.00 C ATOM 695 O ALA A 45 14.463 7.357 -5.730 1.00 0.00 O ATOM 696 CB ALA A 45 14.700 9.445 -7.903 1.00 0.00 C ATOM 0 H ALA A 45 13.595 10.651 -6.046 1.00 0.00 H new ATOM 0 HA ALA A 45 12.625 8.848 -7.988 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.034 8.726 -8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.505 10.404 -8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.475 9.568 -7.147 1.00 0.00 H new ATOM 702 N GLY A 46 12.884 6.527 -7.147 1.00 0.00 N ATOM 703 CA GLY A 46 13.100 5.109 -6.803 1.00 0.00 C ATOM 704 C GLY A 46 12.436 4.664 -5.503 1.00 0.00 C ATOM 705 O GLY A 46 12.543 3.486 -5.126 1.00 0.00 O ATOM 0 H GLY A 46 12.112 6.683 -7.796 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.725 4.490 -7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.172 4.925 -6.730 1.00 0.00 H new ATOM 709 N ALA A 47 11.747 5.592 -4.817 1.00 0.00 N ATOM 710 CA ALA A 47 10.954 5.274 -3.622 1.00 0.00 C ATOM 711 C ALA A 47 9.509 4.991 -4.020 1.00 0.00 C ATOM 712 O ALA A 47 9.029 5.476 -5.057 1.00 0.00 O ATOM 713 CB ALA A 47 11.026 6.414 -2.604 1.00 0.00 C ATOM 0 H ALA A 47 11.725 6.578 -5.075 1.00 0.00 H new ATOM 0 HA ALA A 47 11.368 4.382 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 47 10.432 6.157 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.063 6.571 -2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.635 7.327 -3.052 1.00 0.00 H new ATOM 719 N PHE A 48 8.817 4.218 -3.182 1.00 0.00 N ATOM 720 CA PHE A 48 7.449 3.764 -3.467 1.00 0.00 C ATOM 721 C PHE A 48 6.464 4.455 -2.514 1.00 0.00 C ATOM 722 O PHE A 48 6.844 4.987 -1.456 1.00 0.00 O ATOM 723 CB PHE A 48 7.322 2.223 -3.325 1.00 0.00 C ATOM 724 CG PHE A 48 8.292 1.401 -4.175 1.00 0.00 C ATOM 725 CD1 PHE A 48 9.553 1.048 -3.688 1.00 0.00 C ATOM 726 CD2 PHE A 48 7.935 0.965 -5.455 1.00 0.00 C ATOM 727 CE1 PHE A 48 10.426 0.292 -4.451 1.00 0.00 C ATOM 728 CE2 PHE A 48 8.808 0.203 -6.217 1.00 0.00 C ATOM 729 CZ PHE A 48 10.052 -0.134 -5.714 1.00 0.00 C ATOM 0 H PHE A 48 9.184 3.888 -2.289 1.00 0.00 H new ATOM 0 HA PHE A 48 7.213 4.029 -4.498 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.470 1.959 -2.278 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.304 1.934 -3.586 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.851 1.370 -2.701 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.966 1.225 -5.855 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.400 0.034 -4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.517 -0.127 -7.203 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.731 -0.729 -6.306 1.00 0.00 H new ATOM 739 N ALA A 49 5.215 4.490 -2.940 1.00 0.00 N ATOM 740 CA ALA A 49 4.068 4.832 -2.106 1.00 0.00 C ATOM 741 C ALA A 49 2.966 3.812 -2.403 1.00 0.00 C ATOM 742 O ALA A 49 2.871 3.313 -3.511 1.00 0.00 O ATOM 743 CB ALA A 49 3.615 6.282 -2.376 1.00 0.00 C ATOM 0 H ALA A 49 4.959 4.276 -3.904 1.00 0.00 H new ATOM 0 HA ALA A 49 4.324 4.788 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.758 6.519 -1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.433 6.967 -2.150 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.333 6.386 -3.424 1.00 0.00 H new ATOM 749 N LEU A 50 2.164 3.485 -1.412 1.00 0.00 N ATOM 750 CA LEU A 50 1.097 2.478 -1.510 1.00 0.00 C ATOM 751 C LEU A 50 -0.200 3.144 -1.066 1.00 0.00 C ATOM 752 O LEU A 50 -0.177 3.959 -0.154 1.00 0.00 O ATOM 753 CB LEU A 50 1.455 1.249 -0.617 1.00 0.00 C ATOM 754 CG LEU A 50 0.380 0.122 -0.450 1.00 0.00 C ATOM 755 CD1 LEU A 50 -0.054 -0.485 -1.797 1.00 0.00 C ATOM 756 CD2 LEU A 50 0.879 -0.985 0.513 1.00 0.00 C ATOM 0 H LEU A 50 2.227 3.915 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 50 0.983 2.111 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.357 0.792 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.706 1.620 0.377 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.501 0.594 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.800 -1.261 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.482 0.295 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.812 -0.920 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.113 -1.755 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.791 -1.429 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.084 -0.551 1.492 1.00 0.00 H new ATOM 768 N CYS A 51 -1.297 2.866 -1.755 1.00 0.00 N ATOM 769 CA CYS A 51 -2.628 3.352 -1.390 1.00 0.00 C ATOM 770 C CYS A 51 -3.556 2.147 -1.260 1.00 0.00 C ATOM 771 O CYS A 51 -3.588 1.310 -2.160 1.00 0.00 O ATOM 772 CB CYS A 51 -3.139 4.323 -2.475 1.00 0.00 C ATOM 773 SG CYS A 51 -4.736 5.066 -2.106 1.00 0.00 S ATOM 0 H CYS A 51 -1.292 2.289 -2.596 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.596 3.890 -0.442 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.404 5.117 -2.612 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.210 3.788 -3.422 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.557 6.184 -1.467 1.00 0.00 H new ATOM 779 N VAL A 52 -4.278 2.037 -0.125 1.00 0.00 N ATOM 780 CA VAL A 52 -5.170 0.887 0.172 1.00 0.00 C ATOM 781 C VAL A 52 -6.505 1.400 0.777 1.00 0.00 C ATOM 782 O VAL A 52 -6.490 2.338 1.560 1.00 0.00 O ATOM 783 CB VAL A 52 -4.493 -0.137 1.175 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.298 -1.444 1.253 1.00 0.00 C ATOM 785 CG2 VAL A 52 -3.022 -0.448 0.811 1.00 0.00 C ATOM 0 H VAL A 52 -4.262 2.740 0.613 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.361 0.364 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.493 0.347 2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.812 -2.129 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.308 -1.229 1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.345 -1.902 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.610 -1.154 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.978 -0.882 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.439 0.473 0.832 1.00 0.00 H new ATOM 795 N LEU A 53 -7.648 0.797 0.395 1.00 0.00 N ATOM 796 CA LEU A 53 -8.998 1.160 0.890 1.00 0.00 C ATOM 797 C LEU A 53 -9.769 -0.107 1.306 1.00 0.00 C ATOM 798 O LEU A 53 -9.946 -0.997 0.474 1.00 0.00 O ATOM 799 CB LEU A 53 -9.783 1.895 -0.233 1.00 0.00 C ATOM 800 CG LEU A 53 -11.316 2.118 0.017 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.584 3.073 1.201 1.00 0.00 C ATOM 802 CD2 LEU A 53 -12.017 2.594 -1.264 1.00 0.00 C ATOM 0 H LEU A 53 -7.663 0.030 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.893 1.815 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.318 2.868 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.667 1.329 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.742 1.154 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.659 3.195 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.151 2.656 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.131 4.043 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.078 2.741 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.575 3.535 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.895 1.844 -2.046 1.00 0.00 H new ATOM 814 N TYR A 54 -10.194 -0.210 2.586 1.00 0.00 N ATOM 815 CA TYR A 54 -11.145 -1.251 3.052 1.00 0.00 C ATOM 816 C TYR A 54 -12.003 -0.675 4.189 1.00 0.00 C ATOM 817 O TYR A 54 -11.496 0.098 4.999 1.00 0.00 O ATOM 818 CB TYR A 54 -10.370 -2.487 3.553 1.00 0.00 C ATOM 819 CG TYR A 54 -11.210 -3.709 3.974 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.640 -4.644 3.034 1.00 0.00 C ATOM 821 CD2 TYR A 54 -11.563 -3.931 5.312 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.385 -5.746 3.405 1.00 0.00 C ATOM 823 CE2 TYR A 54 -12.309 -5.032 5.688 1.00 0.00 C ATOM 824 CZ TYR A 54 -12.720 -5.937 4.730 1.00 0.00 C ATOM 825 OH TYR A 54 -13.466 -7.037 5.093 1.00 0.00 O ATOM 0 H TYR A 54 -9.889 0.424 3.325 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.788 -1.553 2.225 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.685 -2.801 2.766 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.760 -2.184 4.404 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.385 -4.504 1.994 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.245 -3.226 6.066 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -12.705 -6.458 2.659 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.569 -5.183 6.725 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.615 -7.026 6.061 1.00 0.00 H new ATOM 835 N GLN A 55 -13.281 -1.115 4.257 1.00 0.00 N ATOM 836 CA GLN A 55 -14.291 -0.637 5.239 1.00 0.00 C ATOM 837 C GLN A 55 -14.370 0.912 5.278 1.00 0.00 C ATOM 838 O GLN A 55 -14.359 1.534 6.353 1.00 0.00 O ATOM 839 CB GLN A 55 -13.997 -1.241 6.653 1.00 0.00 C ATOM 840 CG GLN A 55 -15.162 -1.111 7.670 1.00 0.00 C ATOM 841 CD GLN A 55 -14.773 -1.412 9.116 1.00 0.00 C ATOM 842 OE1 GLN A 55 -13.843 -2.173 9.385 1.00 0.00 O ATOM 843 NE2 GLN A 55 -15.496 -0.818 10.054 1.00 0.00 N ATOM 0 H GLN A 55 -13.649 -1.824 3.622 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.272 -0.987 4.917 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.750 -2.296 6.538 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.116 -0.750 7.066 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.563 -0.099 7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -15.964 -1.787 7.374 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -16.259 -0.194 9.791 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.290 -0.985 11.039 1.00 0.00 H new ATOM 852 N LYS A 56 -14.446 1.521 4.076 1.00 0.00 N ATOM 853 CA LYS A 56 -14.499 2.989 3.877 1.00 0.00 C ATOM 854 C LYS A 56 -13.319 3.728 4.557 1.00 0.00 C ATOM 855 O LYS A 56 -13.418 4.912 4.897 1.00 0.00 O ATOM 856 CB LYS A 56 -15.874 3.533 4.366 1.00 0.00 C ATOM 857 CG LYS A 56 -17.097 2.877 3.678 1.00 0.00 C ATOM 858 CD LYS A 56 -17.126 3.091 2.143 1.00 0.00 C ATOM 859 CE LYS A 56 -17.255 4.573 1.735 1.00 0.00 C ATOM 860 NZ LYS A 56 -17.316 4.750 0.269 1.00 0.00 N ATOM 0 H LYS A 56 -14.473 0.999 3.200 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.396 3.186 2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.951 3.379 5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.908 4.609 4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -17.093 1.808 3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -18.010 3.284 4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -16.215 2.680 1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.961 2.531 1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.153 4.995 2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.407 5.131 2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.402 5.762 0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -16.448 4.373 -0.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -18.140 4.240 -0.108 1.00 0.00 H new ATOM 874 N HIS A 57 -12.188 3.015 4.695 1.00 0.00 N ATOM 875 CA HIS A 57 -10.989 3.492 5.407 1.00 0.00 C ATOM 876 C HIS A 57 -9.789 3.430 4.455 1.00 0.00 C ATOM 877 O HIS A 57 -9.300 2.339 4.127 1.00 0.00 O ATOM 878 CB HIS A 57 -10.745 2.622 6.680 1.00 0.00 C ATOM 879 CG HIS A 57 -9.659 3.115 7.616 1.00 0.00 C ATOM 880 ND1 HIS A 57 -9.916 3.511 8.911 1.00 0.00 N ATOM 881 CD2 HIS A 57 -8.314 3.234 7.455 1.00 0.00 C ATOM 882 CE1 HIS A 57 -8.785 3.854 9.499 1.00 0.00 C ATOM 883 NE2 HIS A 57 -7.801 3.697 8.638 1.00 0.00 N ATOM 0 H HIS A 57 -12.079 2.077 4.309 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.130 4.523 5.730 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -11.679 2.559 7.238 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.494 1.610 6.363 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.754 3.006 6.560 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -8.684 4.205 10.515 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.816 3.889 8.822 1.00 0.00 H new ATOM 892 N VAL A 58 -9.337 4.605 4.000 1.00 0.00 N ATOM 893 CA VAL A 58 -8.120 4.740 3.196 1.00 0.00 C ATOM 894 C VAL A 58 -6.902 4.797 4.134 1.00 0.00 C ATOM 895 O VAL A 58 -6.894 5.546 5.114 1.00 0.00 O ATOM 896 CB VAL A 58 -8.140 6.017 2.277 1.00 0.00 C ATOM 897 CG1 VAL A 58 -6.828 6.129 1.447 1.00 0.00 C ATOM 898 CG2 VAL A 58 -9.382 6.020 1.352 1.00 0.00 C ATOM 0 H VAL A 58 -9.808 5.491 4.181 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.061 3.873 2.538 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.204 6.891 2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.869 7.020 0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.975 6.198 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.720 5.247 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.369 6.914 0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.365 5.134 0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.288 6.014 1.959 1.00 0.00 H new ATOM 908 N HIS A 59 -5.892 3.990 3.813 1.00 0.00 N ATOM 909 CA HIS A 59 -4.622 3.931 4.525 1.00 0.00 C ATOM 910 C HIS A 59 -3.529 3.889 3.449 1.00 0.00 C ATOM 911 O HIS A 59 -3.429 2.910 2.704 1.00 0.00 O ATOM 912 CB HIS A 59 -4.561 2.698 5.479 1.00 0.00 C ATOM 913 CG HIS A 59 -3.498 2.786 6.544 1.00 0.00 C ATOM 914 ND1 HIS A 59 -3.226 1.752 7.411 1.00 0.00 N ATOM 915 CD2 HIS A 59 -2.679 3.804 6.920 1.00 0.00 C ATOM 916 CE1 HIS A 59 -2.307 2.123 8.273 1.00 0.00 C ATOM 917 NE2 HIS A 59 -1.951 3.363 7.992 1.00 0.00 N ATOM 0 H HIS A 59 -5.939 3.341 3.027 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.488 4.799 5.171 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.531 2.578 5.961 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -4.388 1.802 4.884 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.615 4.779 6.459 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.910 1.517 9.074 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.247 3.905 8.493 1.00 0.00 H new ATOM 926 N THR A 60 -2.749 4.971 3.337 1.00 0.00 N ATOM 927 CA THR A 60 -1.675 5.107 2.350 1.00 0.00 C ATOM 928 C THR A 60 -0.325 4.931 3.066 1.00 0.00 C ATOM 929 O THR A 60 -0.077 5.591 4.090 1.00 0.00 O ATOM 930 CB THR A 60 -1.754 6.505 1.634 1.00 0.00 C ATOM 931 OG1 THR A 60 -1.810 7.563 2.609 1.00 0.00 O ATOM 932 CG2 THR A 60 -2.980 6.613 0.704 1.00 0.00 C ATOM 0 H THR A 60 -2.849 5.788 3.939 1.00 0.00 H new ATOM 0 HA THR A 60 -1.781 4.341 1.582 1.00 0.00 H new ATOM 0 HB THR A 60 -0.855 6.602 1.026 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.168 7.381 3.327 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.993 7.595 0.232 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.923 5.842 -0.064 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.891 6.479 1.286 1.00 0.00 H new ATOM 940 N TYR A 61 0.519 4.022 2.553 1.00 0.00 N ATOM 941 CA TYR A 61 1.831 3.706 3.125 1.00 0.00 C ATOM 942 C TYR A 61 2.926 4.162 2.141 1.00 0.00 C ATOM 943 O TYR A 61 3.165 3.482 1.149 1.00 0.00 O ATOM 944 CB TYR A 61 1.971 2.159 3.353 1.00 0.00 C ATOM 945 CG TYR A 61 0.769 1.456 4.018 1.00 0.00 C ATOM 946 CD1 TYR A 61 -0.392 1.182 3.290 1.00 0.00 C ATOM 947 CD2 TYR A 61 0.798 1.057 5.361 1.00 0.00 C ATOM 948 CE1 TYR A 61 -1.463 0.545 3.869 1.00 0.00 C ATOM 949 CE2 TYR A 61 -0.277 0.410 5.938 1.00 0.00 C ATOM 950 CZ TYR A 61 -1.405 0.163 5.184 1.00 0.00 C ATOM 951 OH TYR A 61 -2.491 -0.479 5.742 1.00 0.00 O ATOM 0 H TYR A 61 0.303 3.480 1.717 1.00 0.00 H new ATOM 0 HA TYR A 61 1.934 4.219 4.081 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.154 1.686 2.388 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.854 1.982 3.967 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.449 1.477 2.252 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.677 1.259 5.955 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.351 0.345 3.288 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.235 0.100 6.972 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.920 0.112 6.395 1.00 0.00 H new ATOM 961 N ARG A 62 3.565 5.316 2.388 1.00 0.00 N ATOM 962 CA ARG A 62 4.796 5.711 1.660 1.00 0.00 C ATOM 963 C ARG A 62 5.948 4.810 2.122 1.00 0.00 C ATOM 964 O ARG A 62 5.919 4.291 3.237 1.00 0.00 O ATOM 965 CB ARG A 62 5.115 7.216 1.836 1.00 0.00 C ATOM 966 CG ARG A 62 4.120 8.138 1.091 1.00 0.00 C ATOM 967 CD ARG A 62 4.489 9.626 1.160 1.00 0.00 C ATOM 968 NE ARG A 62 4.480 10.148 2.531 1.00 0.00 N ATOM 969 CZ ARG A 62 4.735 11.418 2.875 1.00 0.00 C ATOM 970 NH1 ARG A 62 4.960 12.349 1.950 1.00 0.00 N ATOM 971 NH2 ARG A 62 4.736 11.746 4.153 1.00 0.00 N ATOM 0 H ARG A 62 3.256 5.995 3.083 1.00 0.00 H new ATOM 0 HA ARG A 62 4.645 5.571 0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.104 7.462 2.898 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.124 7.412 1.474 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.069 7.833 0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.124 8.000 1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.479 9.771 0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.788 10.199 0.553 1.00 0.00 H new ATOM 0 HE ARG A 62 4.262 9.493 3.282 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.940 12.101 0.961 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.152 13.311 2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.545 11.038 4.861 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.928 12.708 4.432 1.00 0.00 H new ATOM 985 N ILE A 63 6.989 4.634 1.292 1.00 0.00 N ATOM 986 CA ILE A 63 7.800 3.393 1.351 1.00 0.00 C ATOM 987 C ILE A 63 9.206 3.896 1.009 1.00 0.00 C ATOM 988 O ILE A 63 9.496 4.179 -0.164 1.00 0.00 O ATOM 989 CB ILE A 63 7.338 2.267 0.337 1.00 0.00 C ATOM 990 CG1 ILE A 63 5.878 1.785 0.624 1.00 0.00 C ATOM 991 CG2 ILE A 63 8.328 1.072 0.331 1.00 0.00 C ATOM 992 CD1 ILE A 63 5.258 0.928 -0.465 1.00 0.00 C ATOM 0 H ILE A 63 7.288 5.310 0.589 1.00 0.00 H new ATOM 0 HA ILE A 63 7.714 2.905 2.322 1.00 0.00 H new ATOM 0 HB ILE A 63 7.343 2.713 -0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.875 1.220 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.247 2.660 0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.982 0.317 -0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.317 1.421 0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.381 0.638 1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.247 0.644 -0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.222 1.493 -1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.860 0.030 -0.608 1.00 0.00 H new ATOM 1004 N LEU A 64 10.053 4.076 2.029 1.00 0.00 N ATOM 1005 CA LEU A 64 11.267 4.908 1.923 1.00 0.00 C ATOM 1006 C LEU A 64 12.530 4.040 2.041 1.00 0.00 C ATOM 1007 O LEU A 64 12.879 3.625 3.154 1.00 0.00 O ATOM 1008 CB LEU A 64 11.291 6.039 3.017 1.00 0.00 C ATOM 1009 CG LEU A 64 10.163 7.125 2.944 1.00 0.00 C ATOM 1010 CD1 LEU A 64 8.808 6.596 3.464 1.00 0.00 C ATOM 1011 CD2 LEU A 64 10.578 8.418 3.678 1.00 0.00 C ATOM 0 H LEU A 64 9.921 3.654 2.948 1.00 0.00 H new ATOM 0 HA LEU A 64 11.250 5.384 0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.240 5.564 3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.254 6.546 2.958 1.00 0.00 H new ATOM 0 HG LEU A 64 10.026 7.368 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.058 7.384 3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.495 5.743 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.913 6.287 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.774 9.150 3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.775 8.194 4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.479 8.824 3.218 1.00 0.00 H new ATOM 1023 N PRO A 65 13.214 3.713 0.898 1.00 0.00 N ATOM 1024 CA PRO A 65 14.564 3.131 0.935 1.00 0.00 C ATOM 1025 C PRO A 65 15.562 4.154 1.494 1.00 0.00 C ATOM 1026 O PRO A 65 15.949 5.098 0.795 1.00 0.00 O ATOM 1027 CB PRO A 65 14.842 2.734 -0.543 1.00 0.00 C ATOM 1028 CG PRO A 65 13.942 3.622 -1.354 1.00 0.00 C ATOM 1029 CD PRO A 65 12.711 3.838 -0.496 1.00 0.00 C ATOM 0 HA PRO A 65 14.659 2.265 1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 65 15.889 2.888 -0.804 1.00 0.00 H new ATOM 0 HB3 PRO A 65 14.621 1.681 -0.718 1.00 0.00 H new ATOM 0 HG2 PRO A 65 14.430 4.569 -1.587 1.00 0.00 H new ATOM 0 HG3 PRO A 65 13.682 3.155 -2.304 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.268 4.818 -0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.941 3.097 -0.710 1.00 0.00 H new ATOM 1037 N ASP A 66 15.959 3.961 2.774 1.00 0.00 N ATOM 1038 CA ASP A 66 16.723 4.956 3.559 1.00 0.00 C ATOM 1039 C ASP A 66 18.087 5.226 2.902 1.00 0.00 C ATOM 1040 O ASP A 66 18.438 6.376 2.616 1.00 0.00 O ATOM 1041 CB ASP A 66 16.889 4.441 5.025 1.00 0.00 C ATOM 1042 CG ASP A 66 17.865 5.286 5.873 1.00 0.00 C ATOM 1043 OD1 ASP A 66 17.463 6.349 6.385 1.00 0.00 O ATOM 1044 OD2 ASP A 66 19.045 4.890 6.021 1.00 0.00 O ATOM 0 H ASP A 66 15.757 3.106 3.292 1.00 0.00 H new ATOM 0 HA ASP A 66 16.178 5.900 3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.913 4.433 5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.242 3.410 5.001 1.00 0.00 H new ATOM 1049 N GLY A 67 18.825 4.138 2.647 1.00 0.00 N ATOM 1050 CA GLY A 67 20.086 4.188 1.921 1.00 0.00 C ATOM 1051 C GLY A 67 20.012 3.410 0.619 1.00 0.00 C ATOM 1052 O GLY A 67 21.003 2.822 0.199 1.00 0.00 O ATOM 0 H GLY A 67 18.558 3.199 2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.345 5.226 1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.882 3.781 2.544 1.00 0.00 H new ATOM 1056 N GLU A 68 18.822 3.419 -0.023 1.00 0.00 N ATOM 1057 CA GLU A 68 18.496 2.622 -1.239 1.00 0.00 C ATOM 1058 C GLU A 68 18.815 1.099 -1.208 1.00 0.00 C ATOM 1059 O GLU A 68 18.610 0.424 -2.231 1.00 0.00 O ATOM 1060 CB GLU A 68 19.122 3.297 -2.487 1.00 0.00 C ATOM 1061 CG GLU A 68 18.616 4.730 -2.743 1.00 0.00 C ATOM 1062 CD GLU A 68 19.279 5.406 -3.955 1.00 0.00 C ATOM 1063 OE1 GLU A 68 20.386 5.960 -3.804 1.00 0.00 O ATOM 1064 OE2 GLU A 68 18.712 5.370 -5.065 1.00 0.00 O ATOM 0 H GLU A 68 18.040 3.992 0.293 1.00 0.00 H new ATOM 0 HA GLU A 68 17.407 2.633 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.205 3.320 -2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.909 2.685 -3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.537 4.704 -2.896 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.797 5.335 -1.855 1.00 0.00 H new ATOM 1071 N ASP A 69 19.272 0.540 -0.076 1.00 0.00 N ATOM 1072 CA ASP A 69 19.532 -0.906 0.049 1.00 0.00 C ATOM 1073 C ASP A 69 18.226 -1.639 0.417 1.00 0.00 C ATOM 1074 O ASP A 69 17.852 -2.614 -0.237 1.00 0.00 O ATOM 1075 CB ASP A 69 20.666 -1.175 1.088 1.00 0.00 C ATOM 1076 CG ASP A 69 20.445 -0.486 2.454 1.00 0.00 C ATOM 1077 OD1 ASP A 69 20.627 0.752 2.549 1.00 0.00 O ATOM 1078 OD2 ASP A 69 20.085 -1.160 3.432 1.00 0.00 O ATOM 0 H ASP A 69 19.471 1.071 0.772 1.00 0.00 H new ATOM 0 HA ASP A 69 19.879 -1.295 -0.908 1.00 0.00 H new ATOM 0 HB2 ASP A 69 20.753 -2.250 1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 69 21.614 -0.836 0.671 1.00 0.00 H new ATOM 1083 N PHE A 70 17.514 -1.131 1.444 1.00 0.00 N ATOM 1084 CA PHE A 70 16.226 -1.694 1.909 1.00 0.00 C ATOM 1085 C PHE A 70 15.158 -0.584 1.968 1.00 0.00 C ATOM 1086 O PHE A 70 15.453 0.528 2.404 1.00 0.00 O ATOM 1087 CB PHE A 70 16.379 -2.385 3.299 1.00 0.00 C ATOM 1088 CG PHE A 70 17.059 -3.762 3.261 1.00 0.00 C ATOM 1089 CD1 PHE A 70 18.421 -3.894 3.010 1.00 0.00 C ATOM 1090 CD2 PHE A 70 16.322 -4.929 3.461 1.00 0.00 C ATOM 1091 CE1 PHE A 70 19.024 -5.135 2.965 1.00 0.00 C ATOM 1092 CE2 PHE A 70 16.926 -6.168 3.414 1.00 0.00 C ATOM 1093 CZ PHE A 70 18.277 -6.272 3.163 1.00 0.00 C ATOM 0 H PHE A 70 17.816 -0.316 1.977 1.00 0.00 H new ATOM 0 HA PHE A 70 15.907 -2.455 1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 70 16.953 -1.730 3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 70 15.391 -2.495 3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 70 19.018 -3.009 2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 70 15.262 -4.861 3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 70 20.084 -5.213 2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 70 16.338 -7.060 3.574 1.00 0.00 H new ATOM 0 HZ PHE A 70 18.747 -7.243 3.122 1.00 0.00 H new ATOM 1103 N LEU A 71 13.914 -0.943 1.591 1.00 0.00 N ATOM 1104 CA LEU A 71 12.762 -0.024 1.512 1.00 0.00 C ATOM 1105 C LEU A 71 11.911 -0.188 2.783 1.00 0.00 C ATOM 1106 O LEU A 71 11.335 -1.254 3.033 1.00 0.00 O ATOM 1107 CB LEU A 71 11.913 -0.242 0.206 1.00 0.00 C ATOM 1108 CG LEU A 71 11.629 -1.730 -0.239 1.00 0.00 C ATOM 1109 CD1 LEU A 71 10.287 -1.860 -0.987 1.00 0.00 C ATOM 1110 CD2 LEU A 71 12.780 -2.286 -1.118 1.00 0.00 C ATOM 0 H LEU A 71 13.678 -1.900 1.328 1.00 0.00 H new ATOM 0 HA LEU A 71 13.131 1.000 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.954 0.258 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.423 0.263 -0.615 1.00 0.00 H new ATOM 0 HG LEU A 71 11.568 -2.323 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.130 -2.899 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.475 -1.538 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.306 -1.235 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.554 -3.312 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.885 -1.671 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.712 -2.266 -0.553 1.00 0.00 H new ATOM 1122 N ALA A 72 11.858 0.885 3.582 1.00 0.00 N ATOM 1123 CA ALA A 72 11.279 0.883 4.927 1.00 0.00 C ATOM 1124 C ALA A 72 9.827 1.395 4.911 1.00 0.00 C ATOM 1125 O ALA A 72 9.565 2.533 4.514 1.00 0.00 O ATOM 1126 CB ALA A 72 12.158 1.749 5.848 1.00 0.00 C ATOM 0 H ALA A 72 12.224 1.796 3.304 1.00 0.00 H new ATOM 0 HA ALA A 72 11.252 -0.139 5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.736 1.755 6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.167 1.338 5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.194 2.768 5.464 1.00 0.00 H new ATOM 1132 N VAL A 73 8.903 0.526 5.342 1.00 0.00 N ATOM 1133 CA VAL A 73 7.460 0.825 5.420 1.00 0.00 C ATOM 1134 C VAL A 73 7.066 1.003 6.895 1.00 0.00 C ATOM 1135 O VAL A 73 7.564 0.282 7.770 1.00 0.00 O ATOM 1136 CB VAL A 73 6.593 -0.309 4.764 1.00 0.00 C ATOM 1137 CG1 VAL A 73 5.104 0.115 4.618 1.00 0.00 C ATOM 1138 CG2 VAL A 73 7.193 -0.735 3.408 1.00 0.00 C ATOM 0 H VAL A 73 9.136 -0.418 5.651 1.00 0.00 H new ATOM 0 HA VAL A 73 7.267 1.743 4.865 1.00 0.00 H new ATOM 0 HB VAL A 73 6.613 -1.171 5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.538 -0.696 4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.690 0.336 5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.039 1.003 3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.579 -1.521 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.219 0.123 2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.206 -1.108 3.559 1.00 0.00 H new ATOM 1148 N GLN A 74 6.141 1.935 7.158 1.00 0.00 N ATOM 1149 CA GLN A 74 5.757 2.348 8.519 1.00 0.00 C ATOM 1150 C GLN A 74 4.298 1.909 8.749 1.00 0.00 C ATOM 1151 O GLN A 74 3.365 2.629 8.382 1.00 0.00 O ATOM 1152 CB GLN A 74 5.939 3.890 8.725 1.00 0.00 C ATOM 1153 CG GLN A 74 7.397 4.417 8.592 1.00 0.00 C ATOM 1154 CD GLN A 74 7.938 4.455 7.156 1.00 0.00 C ATOM 1155 OE1 GLN A 74 7.188 4.660 6.196 1.00 0.00 O ATOM 1156 NE2 GLN A 74 9.241 4.246 7.001 1.00 0.00 N ATOM 0 H GLN A 74 5.631 2.430 6.426 1.00 0.00 H new ATOM 0 HA GLN A 74 6.407 1.870 9.252 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.315 4.412 7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.565 4.153 9.714 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.445 5.422 9.010 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.052 3.789 9.196 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.831 4.080 7.816 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.651 4.252 6.067 1.00 0.00 H new ATOM 1165 N THR A 75 4.107 0.701 9.303 1.00 0.00 N ATOM 1166 CA THR A 75 2.772 0.101 9.538 1.00 0.00 C ATOM 1167 C THR A 75 2.441 0.092 11.049 1.00 0.00 C ATOM 1168 O THR A 75 1.646 -0.724 11.530 1.00 0.00 O ATOM 1169 CB THR A 75 2.755 -1.355 8.959 1.00 0.00 C ATOM 1170 OG1 THR A 75 3.881 -2.097 9.455 1.00 0.00 O ATOM 1171 CG2 THR A 75 2.771 -1.368 7.421 1.00 0.00 C ATOM 0 H THR A 75 4.877 0.104 9.605 1.00 0.00 H new ATOM 0 HA THR A 75 2.012 0.697 9.033 1.00 0.00 H new ATOM 0 HB THR A 75 1.826 -1.821 9.288 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.861 -3.006 9.089 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.758 -2.398 7.066 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.893 -0.843 7.044 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.673 -0.872 7.062 1.00 0.00 H new ATOM 1179 N SER A 76 3.015 1.065 11.765 1.00 0.00 N ATOM 1180 CA SER A 76 3.059 1.087 13.230 1.00 0.00 C ATOM 1181 C SER A 76 1.671 1.307 13.883 1.00 0.00 C ATOM 1182 O SER A 76 1.193 2.441 14.007 1.00 0.00 O ATOM 1183 CB SER A 76 4.071 2.167 13.668 1.00 0.00 C ATOM 1184 OG SER A 76 5.360 1.933 13.101 1.00 0.00 O ATOM 0 H SER A 76 3.469 1.871 11.336 1.00 0.00 H new ATOM 0 HA SER A 76 3.380 0.106 13.579 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.711 3.150 13.364 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.147 2.178 14.755 1.00 0.00 H new ATOM 0 HG SER A 76 5.723 1.092 13.449 1.00 0.00 H new ATOM 1190 N GLN A 77 1.010 0.183 14.239 1.00 0.00 N ATOM 1191 CA GLN A 77 -0.163 0.155 15.165 1.00 0.00 C ATOM 1192 C GLN A 77 0.169 -0.695 16.426 1.00 0.00 C ATOM 1193 O GLN A 77 -0.661 -0.866 17.326 1.00 0.00 O ATOM 1194 CB GLN A 77 -1.423 -0.402 14.445 1.00 0.00 C ATOM 1195 CG GLN A 77 -1.281 -1.849 13.912 1.00 0.00 C ATOM 1196 CD GLN A 77 -2.555 -2.419 13.262 1.00 0.00 C ATOM 1197 OE1 GLN A 77 -2.795 -3.630 13.300 1.00 0.00 O ATOM 1198 NE2 GLN A 77 -3.338 -1.576 12.599 1.00 0.00 N ATOM 0 H GLN A 77 1.271 -0.741 13.894 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.379 1.176 15.479 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.265 -0.366 15.136 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.667 0.255 13.610 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.473 -1.876 13.181 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.987 -2.499 14.736 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.118 -0.580 12.583 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.160 -1.924 12.105 1.00 0.00 H new ATOM 1207 N GLY A 78 1.413 -1.183 16.456 1.00 0.00 N ATOM 1208 CA GLY A 78 1.938 -2.063 17.511 1.00 0.00 C ATOM 1209 C GLY A 78 3.150 -2.857 17.025 1.00 0.00 C ATOM 1210 O GLY A 78 3.493 -3.907 17.584 1.00 0.00 O ATOM 0 H GLY A 78 2.101 -0.974 15.732 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.217 -1.466 18.379 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.157 -2.751 17.835 1.00 0.00 H new ATOM 1214 N VAL A 79 3.813 -2.320 15.986 1.00 0.00 N ATOM 1215 CA VAL A 79 4.938 -2.971 15.285 1.00 0.00 C ATOM 1216 C VAL A 79 6.008 -1.903 14.950 1.00 0.00 C ATOM 1217 O VAL A 79 5.666 -0.722 14.806 1.00 0.00 O ATOM 1218 CB VAL A 79 4.475 -3.712 13.948 1.00 0.00 C ATOM 1219 CG1 VAL A 79 3.516 -4.902 14.242 1.00 0.00 C ATOM 1220 CG2 VAL A 79 3.823 -2.715 12.947 1.00 0.00 C ATOM 0 H VAL A 79 3.579 -1.405 15.601 1.00 0.00 H new ATOM 0 HA VAL A 79 5.350 -3.733 15.947 1.00 0.00 H new ATOM 0 HB VAL A 79 5.373 -4.122 13.487 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.227 -5.376 13.304 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.023 -5.630 14.876 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.626 -4.534 14.752 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.519 -3.250 12.047 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.949 -2.255 13.409 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.544 -1.941 12.683 1.00 0.00 H new ATOM 1230 N PRO A 80 7.319 -2.288 14.839 1.00 0.00 N ATOM 1231 CA PRO A 80 8.379 -1.368 14.360 1.00 0.00 C ATOM 1232 C PRO A 80 8.282 -1.119 12.832 1.00 0.00 C ATOM 1233 O PRO A 80 7.340 -1.578 12.167 1.00 0.00 O ATOM 1234 CB PRO A 80 9.688 -2.109 14.754 1.00 0.00 C ATOM 1235 CG PRO A 80 9.313 -3.563 14.699 1.00 0.00 C ATOM 1236 CD PRO A 80 7.878 -3.629 15.190 1.00 0.00 C ATOM 0 HA PRO A 80 8.310 -0.371 14.795 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.500 -1.880 14.064 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.025 -1.821 15.750 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.399 -3.953 13.685 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.971 -4.162 15.328 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.325 -4.433 14.703 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.830 -3.814 16.263 1.00 0.00 H new ATOM 1244 N VAL A 81 9.260 -0.379 12.293 1.00 0.00 N ATOM 1245 CA VAL A 81 9.364 -0.109 10.847 1.00 0.00 C ATOM 1246 C VAL A 81 9.914 -1.370 10.154 1.00 0.00 C ATOM 1247 O VAL A 81 10.983 -1.859 10.540 1.00 0.00 O ATOM 1248 CB VAL A 81 10.302 1.125 10.566 1.00 0.00 C ATOM 1249 CG1 VAL A 81 10.420 1.419 9.047 1.00 0.00 C ATOM 1250 CG2 VAL A 81 9.808 2.376 11.339 1.00 0.00 C ATOM 0 H VAL A 81 10.003 0.051 12.844 1.00 0.00 H new ATOM 0 HA VAL A 81 8.378 0.135 10.453 1.00 0.00 H new ATOM 0 HB VAL A 81 11.299 0.872 10.926 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.075 2.277 8.892 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.836 0.549 8.539 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.433 1.639 8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.470 3.217 11.131 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.795 2.624 11.021 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.811 2.167 12.409 1.00 0.00 H new ATOM 1260 N ARG A 82 9.181 -1.897 9.160 1.00 0.00 N ATOM 1261 CA ARG A 82 9.554 -3.151 8.480 1.00 0.00 C ATOM 1262 C ARG A 82 10.225 -2.819 7.132 1.00 0.00 C ATOM 1263 O ARG A 82 9.593 -2.255 6.235 1.00 0.00 O ATOM 1264 CB ARG A 82 8.291 -4.046 8.288 1.00 0.00 C ATOM 1265 CG ARG A 82 8.555 -5.456 7.697 1.00 0.00 C ATOM 1266 CD ARG A 82 9.598 -6.273 8.497 1.00 0.00 C ATOM 1267 NE ARG A 82 9.654 -7.700 8.094 1.00 0.00 N ATOM 1268 CZ ARG A 82 10.322 -8.201 7.045 1.00 0.00 C ATOM 1269 NH1 ARG A 82 10.872 -7.418 6.135 1.00 0.00 N ATOM 1270 NH2 ARG A 82 10.411 -9.512 6.896 1.00 0.00 N ATOM 0 H ARG A 82 8.323 -1.473 8.807 1.00 0.00 H new ATOM 0 HA ARG A 82 10.266 -3.709 9.088 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.799 -4.162 9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.592 -3.523 7.635 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.617 -6.010 7.666 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.898 -5.352 6.668 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.582 -5.825 8.362 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.362 -6.211 9.559 1.00 0.00 H new ATOM 0 HE ARG A 82 9.135 -8.363 8.670 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.794 -6.405 6.220 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.375 -7.827 5.347 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.973 -10.133 7.576 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.917 -9.902 6.101 1.00 0.00 H new ATOM 1284 N ARG A 83 11.510 -3.184 7.002 1.00 0.00 N ATOM 1285 CA ARG A 83 12.320 -2.951 5.796 1.00 0.00 C ATOM 1286 C ARG A 83 12.301 -4.194 4.902 1.00 0.00 C ATOM 1287 O ARG A 83 12.292 -5.310 5.410 1.00 0.00 O ATOM 1288 CB ARG A 83 13.775 -2.630 6.223 1.00 0.00 C ATOM 1289 CG ARG A 83 13.921 -1.336 7.055 1.00 0.00 C ATOM 1290 CD ARG A 83 15.319 -1.173 7.675 1.00 0.00 C ATOM 1291 NE ARG A 83 16.412 -1.307 6.683 1.00 0.00 N ATOM 1292 CZ ARG A 83 17.292 -0.349 6.343 1.00 0.00 C ATOM 1293 NH1 ARG A 83 17.186 0.885 6.815 1.00 0.00 N ATOM 1294 NH2 ARG A 83 18.275 -0.641 5.510 1.00 0.00 N ATOM 0 H ARG A 83 12.024 -3.658 7.745 1.00 0.00 H new ATOM 0 HA ARG A 83 11.907 -2.113 5.234 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.165 -3.467 6.803 1.00 0.00 H new ATOM 0 HB3 ARG A 83 14.394 -2.546 5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.709 -0.476 6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.175 -1.336 7.850 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.387 -0.195 8.152 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.453 -1.920 8.458 1.00 0.00 H new ATOM 0 HE ARG A 83 16.505 -2.209 6.215 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.425 1.124 7.450 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.866 1.595 6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.360 -1.585 5.132 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.949 0.077 5.245 1.00 0.00 H new ATOM 1308 N PHE A 84 12.320 -3.990 3.579 1.00 0.00 N ATOM 1309 CA PHE A 84 12.273 -5.076 2.576 1.00 0.00 C ATOM 1310 C PHE A 84 13.439 -4.915 1.609 1.00 0.00 C ATOM 1311 O PHE A 84 13.931 -3.819 1.426 1.00 0.00 O ATOM 1312 CB PHE A 84 10.932 -5.033 1.795 1.00 0.00 C ATOM 1313 CG PHE A 84 9.709 -5.210 2.672 1.00 0.00 C ATOM 1314 CD1 PHE A 84 9.400 -6.461 3.184 1.00 0.00 C ATOM 1315 CD2 PHE A 84 8.889 -4.135 3.009 1.00 0.00 C ATOM 1316 CE1 PHE A 84 8.300 -6.637 3.986 1.00 0.00 C ATOM 1317 CE2 PHE A 84 7.790 -4.318 3.819 1.00 0.00 C ATOM 1318 CZ PHE A 84 7.500 -5.570 4.307 1.00 0.00 C ATOM 0 H PHE A 84 12.369 -3.059 3.165 1.00 0.00 H new ATOM 0 HA PHE A 84 12.347 -6.037 3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.857 -4.080 1.271 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.939 -5.815 1.035 1.00 0.00 H new ATOM 0 HD1 PHE A 84 10.031 -7.305 2.949 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.117 -3.149 2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 84 8.063 -7.620 4.366 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.157 -3.479 4.070 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.640 -5.714 4.945 1.00 0.00 H new ATOM 1328 N GLN A 85 13.895 -6.012 1.020 1.00 0.00 N ATOM 1329 CA GLN A 85 14.905 -5.983 -0.050 1.00 0.00 C ATOM 1330 C GLN A 85 14.205 -5.769 -1.412 1.00 0.00 C ATOM 1331 O GLN A 85 14.827 -5.290 -2.367 1.00 0.00 O ATOM 1332 CB GLN A 85 15.738 -7.297 -0.039 1.00 0.00 C ATOM 1333 CG GLN A 85 16.890 -7.378 -1.061 1.00 0.00 C ATOM 1334 CD GLN A 85 17.969 -6.318 -0.835 1.00 0.00 C ATOM 1335 OE1 GLN A 85 18.929 -6.542 -0.105 1.00 0.00 O ATOM 1336 NE2 GLN A 85 17.802 -5.154 -1.443 1.00 0.00 N ATOM 0 H GLN A 85 13.581 -6.951 1.264 1.00 0.00 H new ATOM 0 HA GLN A 85 15.594 -5.155 0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.155 -7.431 0.959 1.00 0.00 H new ATOM 0 HB3 GLN A 85 15.062 -8.133 -0.217 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.345 -8.367 -1.009 1.00 0.00 H new ATOM 0 HG3 GLN A 85 16.484 -7.266 -2.066 1.00 0.00 H new ATOM 0 HE21 GLN A 85 16.991 -5.004 -2.043 1.00 0.00 H new ATOM 0 HE22 GLN A 85 18.484 -4.407 -1.311 1.00 0.00 H new ATOM 1345 N THR A 86 12.892 -6.093 -1.481 1.00 0.00 N ATOM 1346 CA THR A 86 12.086 -5.920 -2.702 1.00 0.00 C ATOM 1347 C THR A 86 10.589 -5.722 -2.348 1.00 0.00 C ATOM 1348 O THR A 86 10.136 -6.105 -1.260 1.00 0.00 O ATOM 1349 CB THR A 86 12.272 -7.125 -3.699 1.00 0.00 C ATOM 1350 OG1 THR A 86 11.580 -6.859 -4.930 1.00 0.00 O ATOM 1351 CG2 THR A 86 11.780 -8.464 -3.104 1.00 0.00 C ATOM 0 H THR A 86 12.369 -6.479 -0.695 1.00 0.00 H new ATOM 0 HA THR A 86 12.443 -5.022 -3.206 1.00 0.00 H new ATOM 0 HB THR A 86 13.341 -7.223 -3.887 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.703 -7.613 -5.544 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.930 -9.262 -3.831 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.342 -8.688 -2.198 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.720 -8.387 -2.863 1.00 0.00 H new ATOM 1359 N LEU A 87 9.847 -5.113 -3.299 1.00 0.00 N ATOM 1360 CA LEU A 87 8.387 -4.854 -3.183 1.00 0.00 C ATOM 1361 C LEU A 87 7.609 -6.203 -3.138 1.00 0.00 C ATOM 1362 O LEU A 87 6.518 -6.275 -2.582 1.00 0.00 O ATOM 1363 CB LEU A 87 7.893 -3.941 -4.371 1.00 0.00 C ATOM 1364 CG LEU A 87 6.741 -2.905 -4.079 1.00 0.00 C ATOM 1365 CD1 LEU A 87 5.396 -3.568 -3.738 1.00 0.00 C ATOM 1366 CD2 LEU A 87 7.154 -1.906 -2.978 1.00 0.00 C ATOM 0 H LEU A 87 10.244 -4.783 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 87 8.191 -4.319 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.753 -3.387 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.558 -4.594 -5.177 1.00 0.00 H new ATOM 0 HG LEU A 87 6.588 -2.358 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.648 -2.798 -3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.074 -4.188 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.511 -4.188 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.339 -1.204 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.374 -2.448 -2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.041 -1.358 -3.298 1.00 0.00 H new ATOM 1378 N GLY A 88 8.193 -7.254 -3.757 1.00 0.00 N ATOM 1379 CA GLY A 88 7.654 -8.624 -3.690 1.00 0.00 C ATOM 1380 C GLY A 88 7.403 -9.126 -2.264 1.00 0.00 C ATOM 1381 O GLY A 88 6.333 -9.669 -1.973 1.00 0.00 O ATOM 0 H GLY A 88 9.045 -7.174 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.718 -8.663 -4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.349 -9.302 -4.186 1.00 0.00 H new ATOM 1385 N GLU A 89 8.390 -8.910 -1.374 1.00 0.00 N ATOM 1386 CA GLU A 89 8.306 -9.310 0.057 1.00 0.00 C ATOM 1387 C GLU A 89 7.235 -8.493 0.794 1.00 0.00 C ATOM 1388 O GLU A 89 6.605 -8.988 1.742 1.00 0.00 O ATOM 1389 CB GLU A 89 9.678 -9.126 0.741 1.00 0.00 C ATOM 1390 CG GLU A 89 10.788 -10.005 0.154 1.00 0.00 C ATOM 1391 CD GLU A 89 12.162 -9.658 0.730 1.00 0.00 C ATOM 1392 OE1 GLU A 89 12.693 -8.593 0.379 1.00 0.00 O ATOM 1393 OE2 GLU A 89 12.712 -10.444 1.534 1.00 0.00 O ATOM 0 H GLU A 89 9.269 -8.455 -1.619 1.00 0.00 H new ATOM 0 HA GLU A 89 8.023 -10.362 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.976 -8.080 0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.576 -9.348 1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.565 -11.053 0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.809 -9.886 -0.929 1.00 0.00 H new ATOM 1400 N LEU A 90 7.035 -7.240 0.337 1.00 0.00 N ATOM 1401 CA LEU A 90 5.993 -6.351 0.868 1.00 0.00 C ATOM 1402 C LEU A 90 4.609 -6.974 0.605 1.00 0.00 C ATOM 1403 O LEU A 90 3.874 -7.238 1.545 1.00 0.00 O ATOM 1404 CB LEU A 90 6.148 -4.931 0.241 1.00 0.00 C ATOM 1405 CG LEU A 90 5.203 -3.788 0.762 1.00 0.00 C ATOM 1406 CD1 LEU A 90 5.861 -2.412 0.554 1.00 0.00 C ATOM 1407 CD2 LEU A 90 3.800 -3.803 0.087 1.00 0.00 C ATOM 0 H LEU A 90 7.592 -6.821 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 90 6.097 -6.236 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.178 -4.609 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.999 -5.023 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 90 5.052 -3.974 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.194 -1.631 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.802 -2.372 1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.053 -2.257 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.194 -2.991 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.913 -3.674 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.309 -4.755 0.289 1.00 0.00 H new ATOM 1419 N ILE A 91 4.294 -7.239 -0.683 1.00 0.00 N ATOM 1420 CA ILE A 91 3.014 -7.858 -1.106 1.00 0.00 C ATOM 1421 C ILE A 91 2.765 -9.192 -0.363 1.00 0.00 C ATOM 1422 O ILE A 91 1.662 -9.440 0.149 1.00 0.00 O ATOM 1423 CB ILE A 91 2.976 -8.129 -2.662 1.00 0.00 C ATOM 1424 CG1 ILE A 91 3.289 -6.834 -3.481 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.620 -8.742 -3.104 1.00 0.00 C ATOM 1426 CD1 ILE A 91 2.290 -5.695 -3.335 1.00 0.00 C ATOM 0 H ILE A 91 4.920 -7.030 -1.461 1.00 0.00 H new ATOM 0 HA ILE A 91 2.230 -7.145 -0.852 1.00 0.00 H new ATOM 0 HB ILE A 91 3.758 -8.858 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.272 -6.469 -3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.353 -7.102 -4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.632 -8.914 -4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.463 -9.689 -2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.812 -8.054 -2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.609 -4.851 -3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.306 -6.030 -3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.239 -5.387 -2.291 1.00 0.00 H new ATOM 1438 N GLY A 92 3.832 -10.016 -0.317 1.00 0.00 N ATOM 1439 CA GLY A 92 3.815 -11.325 0.340 1.00 0.00 C ATOM 1440 C GLY A 92 3.308 -11.284 1.779 1.00 0.00 C ATOM 1441 O GLY A 92 2.322 -11.945 2.117 1.00 0.00 O ATOM 0 H GLY A 92 4.731 -9.784 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.187 -12.003 -0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.823 -11.739 0.331 1.00 0.00 H new ATOM 1445 N LEU A 93 3.970 -10.465 2.612 1.00 0.00 N ATOM 1446 CA LEU A 93 3.646 -10.346 4.042 1.00 0.00 C ATOM 1447 C LEU A 93 2.344 -9.557 4.266 1.00 0.00 C ATOM 1448 O LEU A 93 1.563 -9.898 5.145 1.00 0.00 O ATOM 1449 CB LEU A 93 4.823 -9.679 4.805 1.00 0.00 C ATOM 1450 CG LEU A 93 6.172 -10.472 4.798 1.00 0.00 C ATOM 1451 CD1 LEU A 93 7.257 -9.731 5.597 1.00 0.00 C ATOM 1452 CD2 LEU A 93 5.982 -11.916 5.327 1.00 0.00 C ATOM 0 H LEU A 93 4.742 -9.869 2.314 1.00 0.00 H new ATOM 0 HA LEU A 93 3.492 -11.352 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.000 -8.694 4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.519 -9.524 5.840 1.00 0.00 H new ATOM 0 HG LEU A 93 6.506 -10.540 3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.183 -10.306 5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.429 -8.750 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.930 -9.611 6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.938 -12.439 5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.606 -11.882 6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.268 -12.444 4.695 1.00 0.00 H new ATOM 1464 N TYR A 94 2.104 -8.518 3.448 1.00 0.00 N ATOM 1465 CA TYR A 94 1.017 -7.535 3.678 1.00 0.00 C ATOM 1466 C TYR A 94 -0.352 -8.016 3.181 1.00 0.00 C ATOM 1467 O TYR A 94 -1.358 -7.337 3.413 1.00 0.00 O ATOM 1468 CB TYR A 94 1.397 -6.161 3.057 1.00 0.00 C ATOM 1469 CG TYR A 94 2.463 -5.365 3.836 1.00 0.00 C ATOM 1470 CD1 TYR A 94 3.284 -5.963 4.804 1.00 0.00 C ATOM 1471 CD2 TYR A 94 2.630 -3.996 3.610 1.00 0.00 C ATOM 1472 CE1 TYR A 94 4.210 -5.230 5.509 1.00 0.00 C ATOM 1473 CE2 TYR A 94 3.557 -3.263 4.319 1.00 0.00 C ATOM 1474 CZ TYR A 94 4.348 -3.883 5.264 1.00 0.00 C ATOM 1475 OH TYR A 94 5.277 -3.151 5.972 1.00 0.00 O ATOM 0 H TYR A 94 2.653 -8.331 2.609 1.00 0.00 H new ATOM 0 HA TYR A 94 0.913 -7.421 4.757 1.00 0.00 H new ATOM 0 HB2 TYR A 94 1.758 -6.326 2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.496 -5.553 2.980 1.00 0.00 H new ATOM 0 HD1 TYR A 94 3.187 -7.021 5.000 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.021 -3.503 2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.828 -5.711 6.253 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.664 -2.204 4.135 1.00 0.00 H new ATOM 0 HH TYR A 94 6.179 -3.455 5.740 1.00 0.00 H new ATOM 1485 N ALA A 95 -0.399 -9.180 2.511 1.00 0.00 N ATOM 1486 CA ALA A 95 -1.666 -9.902 2.267 1.00 0.00 C ATOM 1487 C ALA A 95 -2.240 -10.509 3.587 1.00 0.00 C ATOM 1488 O ALA A 95 -3.339 -11.070 3.599 1.00 0.00 O ATOM 1489 CB ALA A 95 -1.449 -10.992 1.213 1.00 0.00 C ATOM 0 H ALA A 95 0.425 -9.644 2.127 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.401 -9.190 1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.386 -11.520 1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.110 -10.536 0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.696 -11.696 1.567 1.00 0.00 H new ATOM 1495 N GLN A 96 -1.464 -10.387 4.685 1.00 0.00 N ATOM 1496 CA GLN A 96 -1.870 -10.774 6.046 1.00 0.00 C ATOM 1497 C GLN A 96 -2.375 -9.515 6.803 1.00 0.00 C ATOM 1498 O GLN A 96 -1.706 -8.472 6.768 1.00 0.00 O ATOM 1499 CB GLN A 96 -0.652 -11.409 6.780 1.00 0.00 C ATOM 1500 CG GLN A 96 -0.926 -11.895 8.213 1.00 0.00 C ATOM 1501 CD GLN A 96 -1.978 -13.006 8.311 1.00 0.00 C ATOM 1502 OE1 GLN A 96 -2.142 -13.823 7.402 1.00 0.00 O ATOM 1503 NE2 GLN A 96 -2.704 -13.037 9.417 1.00 0.00 N ATOM 0 H GLN A 96 -0.518 -10.008 4.645 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.676 -11.506 6.009 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.294 -12.253 6.190 1.00 0.00 H new ATOM 0 HB3 GLN A 96 0.154 -10.676 6.811 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.007 -12.255 8.647 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.252 -11.047 8.816 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.545 -12.347 10.151 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.423 -13.751 9.535 1.00 0.00 H new ATOM 1512 N PRO A 97 -3.579 -9.571 7.462 1.00 0.00 N ATOM 1513 CA PRO A 97 -4.078 -8.468 8.331 1.00 0.00 C ATOM 1514 C PRO A 97 -3.398 -8.431 9.731 1.00 0.00 C ATOM 1515 O PRO A 97 -2.482 -9.222 10.013 1.00 0.00 O ATOM 1516 CB PRO A 97 -5.593 -8.788 8.439 1.00 0.00 C ATOM 1517 CG PRO A 97 -5.665 -10.283 8.355 1.00 0.00 C ATOM 1518 CD PRO A 97 -4.579 -10.684 7.374 1.00 0.00 C ATOM 0 HA PRO A 97 -3.860 -7.483 7.919 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.011 -8.422 9.377 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.157 -8.317 7.634 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.501 -10.740 9.331 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.646 -10.610 8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -4.134 -11.642 7.642 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.973 -10.787 6.363 1.00 0.00 H new ATOM 1526 N ASN A 98 -3.897 -7.496 10.577 1.00 0.00 N ATOM 1527 CA ASN A 98 -3.440 -7.243 11.970 1.00 0.00 C ATOM 1528 C ASN A 98 -1.901 -7.106 12.067 1.00 0.00 C ATOM 1529 O ASN A 98 -1.205 -8.016 12.536 1.00 0.00 O ATOM 1530 CB ASN A 98 -3.991 -8.321 12.951 1.00 0.00 C ATOM 1531 CG ASN A 98 -3.732 -7.996 14.430 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -3.708 -6.830 14.829 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -3.539 -9.023 15.250 1.00 0.00 N ATOM 0 H ASN A 98 -4.656 -6.874 10.300 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.854 -6.282 12.273 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -5.064 -8.429 12.794 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -3.536 -9.283 12.714 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -3.365 -8.858 16.241 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -3.565 -9.976 14.888 1.00 0.00 H new ATOM 1540 N GLN A 99 -1.411 -5.968 11.549 1.00 0.00 N ATOM 1541 CA GLN A 99 0.034 -5.616 11.512 1.00 0.00 C ATOM 1542 C GLN A 99 0.255 -4.206 10.933 1.00 0.00 C ATOM 1543 O GLN A 99 1.391 -3.817 10.656 1.00 0.00 O ATOM 1544 CB GLN A 99 0.854 -6.664 10.694 1.00 0.00 C ATOM 1545 CG GLN A 99 0.354 -6.906 9.247 1.00 0.00 C ATOM 1546 CD GLN A 99 1.138 -7.982 8.499 1.00 0.00 C ATOM 1547 OE1 GLN A 99 1.652 -8.929 9.098 1.00 0.00 O ATOM 1548 NE2 GLN A 99 1.210 -7.858 7.187 1.00 0.00 N ATOM 0 H GLN A 99 -2.008 -5.251 11.136 1.00 0.00 H new ATOM 0 HA GLN A 99 0.391 -5.625 12.542 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.893 -6.337 10.653 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.839 -7.613 11.230 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.698 -7.191 9.278 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.415 -5.971 8.690 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.772 -7.061 6.725 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.703 -8.560 6.635 1.00 0.00 H new ATOM 1557 N GLY A 100 -0.842 -3.442 10.782 1.00 0.00 N ATOM 1558 CA GLY A 100 -0.821 -2.128 10.123 1.00 0.00 C ATOM 1559 C GLY A 100 -1.786 -2.097 8.963 1.00 0.00 C ATOM 1560 O GLY A 100 -2.382 -1.061 8.649 1.00 0.00 O ATOM 0 H GLY A 100 -1.766 -3.720 11.114 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.083 -1.351 10.841 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.187 -1.909 9.770 1.00 0.00 H new ATOM 1564 N LEU A 101 -1.930 -3.261 8.320 1.00 0.00 N ATOM 1565 CA LEU A 101 -2.815 -3.445 7.174 1.00 0.00 C ATOM 1566 C LEU A 101 -4.269 -3.538 7.665 1.00 0.00 C ATOM 1567 O LEU A 101 -4.699 -4.577 8.177 1.00 0.00 O ATOM 1568 CB LEU A 101 -2.390 -4.699 6.349 1.00 0.00 C ATOM 1569 CG LEU A 101 -1.062 -4.571 5.524 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -1.161 -3.465 4.452 1.00 0.00 C ATOM 1571 CD2 LEU A 101 0.173 -4.374 6.434 1.00 0.00 C ATOM 0 H LEU A 101 -1.428 -4.108 8.587 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.737 -2.588 6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.287 -5.541 7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.198 -4.945 5.660 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.923 -5.518 5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.222 -3.407 3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.972 -3.698 3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.359 -2.508 4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.069 -4.290 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.050 -3.464 7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.271 -5.228 7.104 1.00 0.00 H new ATOM 1583 N VAL A 102 -4.997 -2.412 7.515 1.00 0.00 N ATOM 1584 CA VAL A 102 -6.426 -2.296 7.883 1.00 0.00 C ATOM 1585 C VAL A 102 -7.310 -3.126 6.921 1.00 0.00 C ATOM 1586 O VAL A 102 -8.483 -3.377 7.191 1.00 0.00 O ATOM 1587 CB VAL A 102 -6.907 -0.783 7.873 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -5.920 0.109 8.658 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -7.112 -0.217 6.435 1.00 0.00 C ATOM 0 H VAL A 102 -4.608 -1.550 7.132 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.531 -2.687 8.895 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.881 -0.768 8.363 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.268 1.142 8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.861 -0.235 9.691 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.933 0.050 8.199 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.441 0.820 6.496 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.172 -0.268 5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.867 -0.807 5.916 1.00 0.00 H new ATOM 1599 N CYS A 103 -6.705 -3.515 5.792 1.00 0.00 N ATOM 1600 CA CYS A 103 -7.370 -4.202 4.691 1.00 0.00 C ATOM 1601 C CYS A 103 -6.825 -5.617 4.499 1.00 0.00 C ATOM 1602 O CYS A 103 -7.591 -6.574 4.329 1.00 0.00 O ATOM 1603 CB CYS A 103 -7.106 -3.395 3.402 1.00 0.00 C ATOM 1604 SG CYS A 103 -7.370 -1.612 3.594 1.00 0.00 S ATOM 0 H CYS A 103 -5.713 -3.354 5.620 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.434 -4.276 4.914 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.080 -3.569 3.078 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.757 -3.767 2.611 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.225 -1.019 3.760 1.00 0.00 H new ATOM 1610 N ALA A 104 -5.470 -5.687 4.491 1.00 0.00 N ATOM 1611 CA ALA A 104 -4.686 -6.783 3.899 1.00 0.00 C ATOM 1612 C ALA A 104 -4.815 -6.719 2.361 1.00 0.00 C ATOM 1613 O ALA A 104 -5.906 -6.452 1.828 1.00 0.00 O ATOM 1614 CB ALA A 104 -5.053 -8.172 4.459 1.00 0.00 C ATOM 0 H ALA A 104 -4.885 -4.962 4.908 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.642 -6.643 4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.437 -8.932 3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.877 -8.189 5.535 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.105 -8.378 4.260 1.00 0.00 H new ATOM 1620 N LEU A 105 -3.702 -6.957 1.655 1.00 0.00 N ATOM 1621 CA LEU A 105 -3.622 -6.728 0.207 1.00 0.00 C ATOM 1622 C LEU A 105 -4.483 -7.771 -0.532 1.00 0.00 C ATOM 1623 O LEU A 105 -4.089 -8.932 -0.677 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.146 -6.725 -0.268 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.219 -5.628 0.362 1.00 0.00 C ATOM 1626 CD1 LEU A 105 0.156 -5.603 -0.320 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -1.872 -4.223 0.358 1.00 0.00 C ATOM 0 H LEU A 105 -2.839 -7.311 2.067 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.024 -5.743 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.715 -7.703 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.135 -6.603 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.075 -5.903 1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.776 -4.832 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.638 -6.574 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.032 -5.385 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.187 -3.502 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.092 -3.927 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.797 -4.250 0.934 1.00 0.00 H new ATOM 1639 N LEU A 106 -5.684 -7.331 -0.956 1.00 0.00 N ATOM 1640 CA LEU A 106 -6.750 -8.202 -1.484 1.00 0.00 C ATOM 1641 C LEU A 106 -6.920 -8.010 -3.001 1.00 0.00 C ATOM 1642 O LEU A 106 -6.737 -8.951 -3.782 1.00 0.00 O ATOM 1643 CB LEU A 106 -8.089 -7.883 -0.752 1.00 0.00 C ATOM 1644 CG LEU A 106 -9.357 -8.651 -1.261 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -9.255 -10.171 -0.995 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -10.645 -8.049 -0.662 1.00 0.00 C ATOM 0 H LEU A 106 -5.944 -6.345 -0.941 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.472 -9.241 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.960 -8.100 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.279 -6.813 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.406 -8.525 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.154 -10.666 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.383 -10.573 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.156 -10.347 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.510 -8.600 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.608 -8.118 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -10.729 -7.003 -0.956 1.00 0.00 H new ATOM 1658 N LEU A 107 -7.255 -6.779 -3.413 1.00 0.00 N ATOM 1659 CA LEU A 107 -7.676 -6.477 -4.794 1.00 0.00 C ATOM 1660 C LEU A 107 -6.721 -5.444 -5.422 1.00 0.00 C ATOM 1661 O LEU A 107 -6.812 -4.260 -5.099 1.00 0.00 O ATOM 1662 CB LEU A 107 -9.138 -5.951 -4.805 1.00 0.00 C ATOM 1663 CG LEU A 107 -9.719 -5.571 -6.208 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -9.730 -6.783 -7.165 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -11.118 -4.943 -6.077 1.00 0.00 C ATOM 0 H LEU A 107 -7.243 -5.963 -2.801 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.636 -7.391 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.780 -6.712 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.192 -5.073 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.060 -4.821 -6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -10.140 -6.482 -8.129 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.712 -7.148 -7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.346 -7.576 -6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.497 -4.689 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.793 -5.655 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.056 -4.040 -5.470 1.00 0.00 H new ATOM 1677 N PRO A 108 -5.760 -5.883 -6.288 1.00 0.00 N ATOM 1678 CA PRO A 108 -4.875 -4.968 -7.033 1.00 0.00 C ATOM 1679 C PRO A 108 -5.627 -4.347 -8.223 1.00 0.00 C ATOM 1680 O PRO A 108 -6.127 -5.086 -9.089 1.00 0.00 O ATOM 1681 CB PRO A 108 -3.701 -5.883 -7.511 1.00 0.00 C ATOM 1682 CG PRO A 108 -3.971 -7.242 -6.916 1.00 0.00 C ATOM 1683 CD PRO A 108 -5.455 -7.292 -6.626 1.00 0.00 C ATOM 0 HA PRO A 108 -4.522 -4.129 -6.433 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.662 -5.933 -8.599 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.740 -5.493 -7.176 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -3.683 -8.033 -7.608 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -3.392 -7.389 -6.005 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.026 -7.636 -7.488 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.685 -7.967 -5.802 1.00 0.00 H new ATOM 1691 N VAL A 109 -5.709 -3.009 -8.274 1.00 0.00 N ATOM 1692 CA VAL A 109 -6.349 -2.283 -9.374 1.00 0.00 C ATOM 1693 C VAL A 109 -5.252 -1.447 -10.067 1.00 0.00 C ATOM 1694 O VAL A 109 -4.734 -1.871 -11.116 1.00 0.00 O ATOM 1695 CB VAL A 109 -7.529 -1.345 -8.880 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -8.260 -0.708 -10.089 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -8.518 -2.100 -7.951 1.00 0.00 C ATOM 1698 OXT VAL A 109 -4.856 -0.397 -9.515 1.00 0.00 O ATOM 0 H VAL A 109 -5.331 -2.400 -7.548 1.00 0.00 H new ATOM 0 HA VAL A 109 -6.802 -2.998 -10.061 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.090 -0.543 -8.286 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.066 -0.068 -9.731 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.554 -0.113 -10.668 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.674 -1.495 -10.719 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -9.311 -1.422 -7.635 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -8.954 -2.941 -8.490 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.985 -2.468 -7.074 1.00 0.00 H new