USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 716 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 96 ASN : amide:sc= -7.26! C(o=-10!,f=-15!) USER MOD Set 1.2: A 97 LYS NZ :NH3+ -160:sc= -0.0495 (180deg=-0.251) USER MOD Set 1.3: A 98 HIS : no HD1:sc= -3.16! K(o=-10!,f=-8.2) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -168:sc= 0.679 (180deg=0) USER MOD Set 2.2: A 78 THR OG1 : rot 110:sc= 0.65 USER MOD Set 3.1: A 70 SER OG : rot 180:sc=-0.00215 USER MOD Set 3.2: A 71 HIS : no HD1:sc= -0.146 K(o=-0.15,f=1.1) USER MOD Set 4.1: A 53 SER OG : rot -160:sc= 0 USER MOD Set 4.2: A 68 ASN : amide:sc= -0.0903 X(o=-0.093,f=-0.09) USER MOD Set 4.3: A 95 GLN : amide:sc=-0.00284 X(o=-0.093,f=-0.09) USER MOD Set 4.4: A 100 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 52 TYR OH : rot -179:sc= -0.598 USER MOD Set 5.2: A 75 MET CE :methyl -172:sc= -2.22 (180deg=-2.56) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 178:sc= 0.792 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0736 USER MOD Single : A 43 SER OG : rot 150:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 49 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.21) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0444) USER MOD Single : A 69 THR OG1 : rot 112:sc= 1.32 USER MOD Single : A 76 GLN : amide:sc= -1.84 K(o=-1.8,f=-11!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 81 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.043) USER MOD Single : A 83 MET CE :methyl 131:sc= -0.386 (180deg=-1.24!) USER MOD Single : A 86 THR OG1 : rot 67:sc= 0.368 USER MOD Single : A 88 TYR OH : rot 30:sc= 0 USER MOD Single : A 93 MET CE :methyl 150:sc= -0.101 (180deg=-0.979) USER MOD Single : A 103 SER OG : rot 13:sc= 0.948 USER MOD Single : A 104 SER OG : rot -55:sc= -0.0668! USER MOD Single : A 111 THR OG1 : rot -163:sc= 0.968 USER MOD Single : A 112 GLN : amide:sc= -0.455 K(o=-0.45,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 182 N LEU A 17 15.647 11.382 -5.700 1.00 0.00 N ATOM 183 CA LEU A 17 14.261 10.944 -5.573 1.00 0.00 C ATOM 184 C LEU A 17 13.896 10.709 -4.111 1.00 0.00 C ATOM 185 O LEU A 17 14.743 10.381 -3.280 1.00 0.00 O ATOM 186 CB LEU A 17 14.034 9.664 -6.380 1.00 0.00 C ATOM 187 CG LEU A 17 14.159 9.797 -7.898 1.00 0.00 C ATOM 188 CD1 LEU A 17 14.138 8.426 -8.557 1.00 0.00 C ATOM 189 CD2 LEU A 17 13.043 10.673 -8.450 1.00 0.00 C ATOM 0 HA LEU A 17 13.619 11.732 -5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.748 8.913 -6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.039 9.285 -6.149 1.00 0.00 H new ATOM 0 HG LEU A 17 15.113 10.272 -8.125 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.228 8.540 -9.637 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.971 7.830 -8.184 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.200 7.924 -8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.148 10.757 -9.532 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.078 10.226 -8.212 1.00 0.00 H new ATOM 0 HD23 LEU A 17 13.103 11.665 -8.002 1.00 0.00 H new ATOM 201 N PRO A 18 12.605 10.878 -3.789 1.00 0.00 N ATOM 202 CA PRO A 18 12.098 10.686 -2.427 1.00 0.00 C ATOM 203 C PRO A 18 12.114 9.221 -2.003 1.00 0.00 C ATOM 204 O PRO A 18 12.710 8.378 -2.673 1.00 0.00 O ATOM 205 CB PRO A 18 10.660 11.204 -2.508 1.00 0.00 C ATOM 206 CG PRO A 18 10.281 11.046 -3.940 1.00 0.00 C ATOM 207 CD PRO A 18 11.541 11.268 -4.729 1.00 0.00 C ATOM 0 HA PRO A 18 12.711 11.202 -1.688 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.997 10.634 -1.858 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.596 12.246 -2.194 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.873 10.053 -4.128 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.512 11.766 -4.222 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.561 10.660 -5.633 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.642 12.307 -5.041 1.00 0.00 H new ATOM 215 N SER A 19 11.456 8.926 -0.886 1.00 0.00 N ATOM 216 CA SER A 19 11.398 7.563 -0.371 1.00 0.00 C ATOM 217 C SER A 19 9.964 7.174 -0.026 1.00 0.00 C ATOM 218 O SER A 19 9.228 7.950 0.583 1.00 0.00 O ATOM 219 CB SER A 19 12.288 7.424 0.865 1.00 0.00 C ATOM 220 OG SER A 19 13.634 7.176 0.499 1.00 0.00 O ATOM 0 H SER A 19 10.956 9.612 -0.321 1.00 0.00 H new ATOM 0 HA SER A 19 11.761 6.891 -1.148 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.232 8.335 1.462 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.922 6.610 1.491 1.00 0.00 H new ATOM 0 HG SER A 19 14.183 7.093 1.307 1.00 0.00 H new ATOM 226 N ALA A 20 9.574 5.966 -0.419 1.00 0.00 N ATOM 227 CA ALA A 20 8.229 5.471 -0.150 1.00 0.00 C ATOM 228 C ALA A 20 7.773 5.858 1.253 1.00 0.00 C ATOM 229 O ALA A 20 8.580 6.071 2.157 1.00 0.00 O ATOM 230 CB ALA A 20 8.177 3.961 -0.327 1.00 0.00 C ATOM 0 H ALA A 20 10.171 5.312 -0.925 1.00 0.00 H new ATOM 0 HA ALA A 20 7.548 5.933 -0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.167 3.605 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.452 3.705 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.875 3.489 0.365 1.00 0.00 H new ATOM 236 N PRO A 21 6.448 5.952 1.440 1.00 0.00 N ATOM 237 CA PRO A 21 5.855 6.313 2.731 1.00 0.00 C ATOM 238 C PRO A 21 6.023 5.214 3.774 1.00 0.00 C ATOM 239 O PRO A 21 6.444 4.102 3.456 1.00 0.00 O ATOM 240 CB PRO A 21 4.374 6.512 2.397 1.00 0.00 C ATOM 241 CG PRO A 21 4.143 5.674 1.187 1.00 0.00 C ATOM 242 CD PRO A 21 5.427 5.711 0.406 1.00 0.00 C ATOM 0 HA PRO A 21 6.330 7.192 3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.736 6.198 3.223 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.150 7.561 2.201 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.884 4.652 1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.315 6.063 0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.603 4.774 -0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.419 6.503 -0.343 1.00 0.00 H new ATOM 250 N ARG A 22 5.691 5.533 5.021 1.00 0.00 N ATOM 251 CA ARG A 22 5.807 4.572 6.112 1.00 0.00 C ATOM 252 C ARG A 22 4.443 4.291 6.735 1.00 0.00 C ATOM 253 O ARG A 22 3.433 4.864 6.327 1.00 0.00 O ATOM 254 CB ARG A 22 6.769 5.095 7.180 1.00 0.00 C ATOM 255 CG ARG A 22 7.999 5.781 6.608 1.00 0.00 C ATOM 256 CD ARG A 22 9.075 4.774 6.232 1.00 0.00 C ATOM 257 NE ARG A 22 8.725 4.024 5.029 1.00 0.00 N ATOM 258 CZ ARG A 22 9.520 3.116 4.472 1.00 0.00 C ATOM 259 NH1 ARG A 22 10.702 2.847 5.008 1.00 0.00 N ATOM 260 NH2 ARG A 22 9.131 2.475 3.378 1.00 0.00 N ATOM 0 H ARG A 22 5.340 6.449 5.301 1.00 0.00 H new ATOM 0 HA ARG A 22 6.200 3.641 5.703 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.238 5.797 7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.087 4.264 7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.718 6.360 5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.397 6.485 7.339 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.019 5.295 6.073 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.228 4.081 7.059 1.00 0.00 H new ATOM 0 HE ARG A 22 7.821 4.207 4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.004 3.337 5.850 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.310 2.150 4.578 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.221 2.679 2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.741 1.778 2.951 1.00 0.00 H new ATOM 274 N ASP A 23 4.422 3.405 7.724 1.00 0.00 N ATOM 275 CA ASP A 23 3.182 3.047 8.404 1.00 0.00 C ATOM 276 C ASP A 23 2.098 2.676 7.398 1.00 0.00 C ATOM 277 O ASP A 23 0.954 3.118 7.511 1.00 0.00 O ATOM 278 CB ASP A 23 2.706 4.204 9.283 1.00 0.00 C ATOM 279 CG ASP A 23 3.410 4.240 10.625 1.00 0.00 C ATOM 280 OD1 ASP A 23 2.960 3.532 11.551 1.00 0.00 O ATOM 281 OD2 ASP A 23 4.412 4.975 10.750 1.00 0.00 O ATOM 0 H ASP A 23 5.249 2.921 8.073 1.00 0.00 H new ATOM 0 HA ASP A 23 3.379 2.180 9.034 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.876 5.146 8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.631 4.117 9.442 1.00 0.00 H new ATOM 286 N VAL A 24 2.465 1.862 6.413 1.00 0.00 N ATOM 287 CA VAL A 24 1.523 1.432 5.386 1.00 0.00 C ATOM 288 C VAL A 24 0.550 0.394 5.933 1.00 0.00 C ATOM 289 O VAL A 24 0.920 -0.757 6.169 1.00 0.00 O ATOM 290 CB VAL A 24 2.255 0.841 4.166 1.00 0.00 C ATOM 291 CG1 VAL A 24 1.260 0.232 3.190 1.00 0.00 C ATOM 292 CG2 VAL A 24 3.099 1.906 3.484 1.00 0.00 C ATOM 0 H VAL A 24 3.407 1.487 6.305 1.00 0.00 H new ATOM 0 HA VAL A 24 0.968 2.317 5.074 1.00 0.00 H new ATOM 0 HB VAL A 24 2.920 0.049 4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.795 -0.180 2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.703 -0.562 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.568 1.002 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.609 1.471 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.457 2.721 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.837 2.291 4.187 1.00 0.00 H new ATOM 302 N VAL A 25 -0.697 0.807 6.133 1.00 0.00 N ATOM 303 CA VAL A 25 -1.726 -0.087 6.652 1.00 0.00 C ATOM 304 C VAL A 25 -3.054 0.131 5.937 1.00 0.00 C ATOM 305 O VAL A 25 -3.181 1.024 5.100 1.00 0.00 O ATOM 306 CB VAL A 25 -1.931 0.111 8.165 1.00 0.00 C ATOM 307 CG1 VAL A 25 -0.598 0.059 8.897 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.647 1.426 8.438 1.00 0.00 C ATOM 0 H VAL A 25 -1.020 1.756 5.943 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.382 -1.105 6.470 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.555 -0.701 8.538 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.764 0.201 9.965 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.128 -0.910 8.728 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.054 0.849 8.523 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.784 1.550 9.512 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.051 2.252 8.051 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.620 1.419 7.947 1.00 0.00 H new ATOM 318 N ALA A 26 -4.043 -0.692 6.273 1.00 0.00 N ATOM 319 CA ALA A 26 -5.363 -0.588 5.665 1.00 0.00 C ATOM 320 C ALA A 26 -6.402 -0.130 6.683 1.00 0.00 C ATOM 321 O ALA A 26 -6.833 -0.906 7.536 1.00 0.00 O ATOM 322 CB ALA A 26 -5.770 -1.921 5.056 1.00 0.00 C ATOM 0 H ALA A 26 -3.954 -1.438 6.963 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.313 0.160 4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.758 -1.829 4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.048 -2.207 4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.796 -2.684 5.834 1.00 0.00 H new ATOM 328 N SER A 27 -6.799 1.135 6.589 1.00 0.00 N ATOM 329 CA SER A 27 -7.784 1.697 7.506 1.00 0.00 C ATOM 330 C SER A 27 -9.065 0.868 7.502 1.00 0.00 C ATOM 331 O SER A 27 -9.758 0.771 8.516 1.00 0.00 O ATOM 332 CB SER A 27 -8.099 3.144 7.124 1.00 0.00 C ATOM 333 OG SER A 27 -9.261 3.607 7.792 1.00 0.00 O ATOM 0 H SER A 27 -6.454 1.790 5.887 1.00 0.00 H new ATOM 0 HA SER A 27 -7.362 1.677 8.511 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.252 3.782 7.376 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.243 3.216 6.046 1.00 0.00 H new ATOM 0 HG SER A 27 -9.440 4.535 7.532 1.00 0.00 H new ATOM 339 N LEU A 28 -9.373 0.271 6.356 1.00 0.00 N ATOM 340 CA LEU A 28 -10.570 -0.550 6.218 1.00 0.00 C ATOM 341 C LEU A 28 -10.424 -1.536 5.063 1.00 0.00 C ATOM 342 O LEU A 28 -9.702 -1.278 4.100 1.00 0.00 O ATOM 343 CB LEU A 28 -11.797 0.335 5.996 1.00 0.00 C ATOM 344 CG LEU A 28 -13.037 -0.365 5.438 1.00 0.00 C ATOM 345 CD1 LEU A 28 -14.302 0.350 5.889 1.00 0.00 C ATOM 346 CD2 LEU A 28 -12.974 -0.432 3.919 1.00 0.00 C ATOM 0 H LEU A 28 -8.810 0.340 5.508 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.700 -1.116 7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.063 0.798 6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.521 1.140 5.315 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.061 -1.383 5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.174 -0.162 5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.354 0.346 6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.286 1.379 5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.864 -0.933 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.925 0.578 3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.087 -0.989 3.616 1.00 0.00 H new ATOM 358 N VAL A 29 -11.116 -2.666 5.166 1.00 0.00 N ATOM 359 CA VAL A 29 -11.067 -3.690 4.129 1.00 0.00 C ATOM 360 C VAL A 29 -12.467 -4.054 3.649 1.00 0.00 C ATOM 361 O VAL A 29 -13.163 -4.851 4.279 1.00 0.00 O ATOM 362 CB VAL A 29 -10.360 -4.963 4.630 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.442 -6.066 3.585 1.00 0.00 C ATOM 364 CG2 VAL A 29 -8.912 -4.663 4.988 1.00 0.00 C ATOM 0 H VAL A 29 -11.717 -2.896 5.957 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.499 -3.272 3.298 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.868 -5.309 5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.937 -6.958 3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.488 -6.299 3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.960 -5.733 2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.428 -5.574 5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.389 -4.291 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.880 -3.908 5.774 1.00 0.00 H new ATOM 374 N SER A 30 -12.875 -3.466 2.529 1.00 0.00 N ATOM 375 CA SER A 30 -14.194 -3.727 1.965 1.00 0.00 C ATOM 376 C SER A 30 -14.170 -4.964 1.073 1.00 0.00 C ATOM 377 O SER A 30 -13.104 -5.436 0.674 1.00 0.00 O ATOM 378 CB SER A 30 -14.678 -2.516 1.165 1.00 0.00 C ATOM 379 OG SER A 30 -15.721 -2.876 0.276 1.00 0.00 O ATOM 0 H SER A 30 -12.311 -2.806 1.994 1.00 0.00 H new ATOM 0 HA SER A 30 -14.884 -3.909 2.789 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.029 -1.742 1.848 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.846 -2.092 0.602 1.00 0.00 H new ATOM 0 HG SER A 30 -16.038 -2.078 -0.197 1.00 0.00 H new ATOM 385 N THR A 31 -15.352 -5.486 0.763 1.00 0.00 N ATOM 386 CA THR A 31 -15.468 -6.669 -0.081 1.00 0.00 C ATOM 387 C THR A 31 -15.225 -6.325 -1.546 1.00 0.00 C ATOM 388 O THR A 31 -14.766 -7.163 -2.322 1.00 0.00 O ATOM 389 CB THR A 31 -16.855 -7.324 0.057 1.00 0.00 C ATOM 390 OG1 THR A 31 -17.875 -6.399 -0.338 1.00 0.00 O ATOM 391 CG2 THR A 31 -17.100 -7.776 1.489 1.00 0.00 C ATOM 0 H THR A 31 -16.243 -5.108 1.084 1.00 0.00 H new ATOM 0 HA THR A 31 -14.707 -7.373 0.256 1.00 0.00 H new ATOM 0 HB THR A 31 -16.886 -8.198 -0.593 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.754 -6.823 -0.249 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.086 -8.235 1.562 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.339 -8.502 1.777 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.051 -6.915 2.156 1.00 0.00 H new ATOM 399 N ARG A 32 -15.534 -5.087 -1.918 1.00 0.00 N ATOM 400 CA ARG A 32 -15.349 -4.633 -3.291 1.00 0.00 C ATOM 401 C ARG A 32 -14.208 -3.623 -3.380 1.00 0.00 C ATOM 402 O ARG A 32 -13.851 -3.169 -4.468 1.00 0.00 O ATOM 403 CB ARG A 32 -16.640 -4.008 -3.822 1.00 0.00 C ATOM 404 CG ARG A 32 -17.726 -5.025 -4.132 1.00 0.00 C ATOM 405 CD ARG A 32 -18.814 -4.429 -5.012 1.00 0.00 C ATOM 406 NE ARG A 32 -18.417 -4.380 -6.416 1.00 0.00 N ATOM 407 CZ ARG A 32 -19.201 -3.923 -7.386 1.00 0.00 C ATOM 408 NH1 ARG A 32 -20.418 -3.477 -7.105 1.00 0.00 N ATOM 409 NH2 ARG A 32 -18.768 -3.911 -8.641 1.00 0.00 N ATOM 0 H ARG A 32 -15.914 -4.381 -1.288 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.094 -5.499 -3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -17.019 -3.297 -3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.415 -3.442 -4.726 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.286 -5.888 -4.631 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -18.166 -5.384 -3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.724 -5.020 -4.913 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.049 -3.422 -4.666 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.487 -4.715 -6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.754 -3.484 -6.142 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.018 -3.127 -7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -17.833 -4.253 -8.861 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.371 -3.560 -9.385 1.00 0.00 H new ATOM 423 N PHE A 33 -13.641 -3.275 -2.230 1.00 0.00 N ATOM 424 CA PHE A 33 -12.542 -2.318 -2.178 1.00 0.00 C ATOM 425 C PHE A 33 -11.773 -2.444 -0.866 1.00 0.00 C ATOM 426 O PHE A 33 -12.101 -3.276 -0.020 1.00 0.00 O ATOM 427 CB PHE A 33 -13.072 -0.892 -2.337 1.00 0.00 C ATOM 428 CG PHE A 33 -13.547 -0.282 -1.049 1.00 0.00 C ATOM 429 CD1 PHE A 33 -12.661 0.374 -0.210 1.00 0.00 C ATOM 430 CD2 PHE A 33 -14.880 -0.364 -0.678 1.00 0.00 C ATOM 431 CE1 PHE A 33 -13.095 0.936 0.976 1.00 0.00 C ATOM 432 CE2 PHE A 33 -15.319 0.197 0.506 1.00 0.00 C ATOM 433 CZ PHE A 33 -14.425 0.847 1.335 1.00 0.00 C ATOM 0 H PHE A 33 -13.924 -3.641 -1.321 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.861 -2.539 -3.000 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.286 -0.266 -2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.894 -0.896 -3.053 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.619 0.447 -0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.583 -0.872 -1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.394 1.444 1.621 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.360 0.127 0.783 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.766 1.284 2.262 1.00 0.00 H new ATOM 443 N ILE A 34 -10.750 -1.612 -0.705 1.00 0.00 N ATOM 444 CA ILE A 34 -9.934 -1.629 0.503 1.00 0.00 C ATOM 445 C ILE A 34 -9.365 -0.246 0.802 1.00 0.00 C ATOM 446 O ILE A 34 -8.722 0.370 -0.048 1.00 0.00 O ATOM 447 CB ILE A 34 -8.774 -2.635 0.385 1.00 0.00 C ATOM 448 CG1 ILE A 34 -9.311 -4.032 0.066 1.00 0.00 C ATOM 449 CG2 ILE A 34 -7.958 -2.655 1.668 1.00 0.00 C ATOM 450 CD1 ILE A 34 -8.226 -5.045 -0.224 1.00 0.00 C ATOM 0 H ILE A 34 -10.466 -0.917 -1.396 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.587 -1.935 1.320 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.123 -2.322 -0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.909 -4.383 0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.977 -3.969 -0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.142 -3.371 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.549 -1.662 1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.597 -2.947 2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.680 -6.012 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.642 -4.717 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.573 -5.138 0.644 1.00 0.00 H new ATOM 462 N LYS A 35 -9.605 0.236 2.016 1.00 0.00 N ATOM 463 CA LYS A 35 -9.115 1.545 2.431 1.00 0.00 C ATOM 464 C LYS A 35 -7.673 1.456 2.920 1.00 0.00 C ATOM 465 O LYS A 35 -7.358 0.670 3.815 1.00 0.00 O ATOM 466 CB LYS A 35 -10.005 2.120 3.535 1.00 0.00 C ATOM 467 CG LYS A 35 -9.824 3.613 3.747 1.00 0.00 C ATOM 468 CD LYS A 35 -10.405 4.414 2.594 1.00 0.00 C ATOM 469 CE LYS A 35 -9.751 5.783 2.481 1.00 0.00 C ATOM 470 NZ LYS A 35 -10.667 6.786 1.872 1.00 0.00 N ATOM 0 H LYS A 35 -10.137 -0.261 2.731 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.147 2.208 1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.048 1.920 3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.792 1.600 4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.307 3.910 4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.763 3.841 3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.267 3.865 1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.479 4.533 2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.447 6.123 3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.846 5.705 1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.130 7.642 1.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.097 6.387 1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.415 7.031 2.552 1.00 0.00 H new ATOM 484 N LEU A 36 -6.802 2.266 2.330 1.00 0.00 N ATOM 485 CA LEU A 36 -5.392 2.280 2.707 1.00 0.00 C ATOM 486 C LEU A 36 -5.049 3.547 3.485 1.00 0.00 C ATOM 487 O LEU A 36 -5.723 4.570 3.356 1.00 0.00 O ATOM 488 CB LEU A 36 -4.510 2.177 1.462 1.00 0.00 C ATOM 489 CG LEU A 36 -4.136 0.762 1.019 1.00 0.00 C ATOM 490 CD1 LEU A 36 -3.331 0.059 2.101 1.00 0.00 C ATOM 491 CD2 LEU A 36 -5.385 -0.037 0.676 1.00 0.00 C ATOM 0 H LEU A 36 -7.046 2.922 1.588 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.204 1.420 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.022 2.671 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.591 2.734 1.645 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.518 0.833 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.074 -0.947 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.418 0.621 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.924 -0.002 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.100 -1.041 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.029 -0.100 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.922 0.457 -0.134 1.00 0.00 H new ATOM 503 N THR A 37 -3.995 3.472 4.292 1.00 0.00 N ATOM 504 CA THR A 37 -3.561 4.612 5.089 1.00 0.00 C ATOM 505 C THR A 37 -2.086 4.496 5.457 1.00 0.00 C ATOM 506 O THR A 37 -1.639 3.459 5.945 1.00 0.00 O ATOM 507 CB THR A 37 -4.392 4.743 6.380 1.00 0.00 C ATOM 508 OG1 THR A 37 -4.439 3.485 7.062 1.00 0.00 O ATOM 509 CG2 THR A 37 -5.806 5.211 6.069 1.00 0.00 C ATOM 0 H THR A 37 -3.426 2.633 4.411 1.00 0.00 H new ATOM 0 HA THR A 37 -3.711 5.501 4.477 1.00 0.00 H new ATOM 0 HB THR A 37 -3.914 5.485 7.020 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.968 3.577 7.882 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.373 5.296 6.996 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.768 6.183 5.577 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.291 4.490 5.411 1.00 0.00 H new ATOM 517 N TRP A 38 -1.337 5.567 5.221 1.00 0.00 N ATOM 518 CA TRP A 38 0.089 5.585 5.528 1.00 0.00 C ATOM 519 C TRP A 38 0.520 6.959 6.029 1.00 0.00 C ATOM 520 O TRP A 38 -0.237 7.926 5.945 1.00 0.00 O ATOM 521 CB TRP A 38 0.903 5.200 4.292 1.00 0.00 C ATOM 522 CG TRP A 38 0.640 6.083 3.109 1.00 0.00 C ATOM 523 CD1 TRP A 38 1.220 7.290 2.842 1.00 0.00 C ATOM 524 CD2 TRP A 38 -0.272 5.828 2.036 1.00 0.00 C ATOM 525 NE1 TRP A 38 0.724 7.801 1.667 1.00 0.00 N ATOM 526 CE2 TRP A 38 -0.192 6.923 1.152 1.00 0.00 C ATOM 527 CE3 TRP A 38 -1.147 4.781 1.733 1.00 0.00 C ATOM 528 CZ2 TRP A 38 -0.955 6.998 -0.010 1.00 0.00 C ATOM 529 CZ3 TRP A 38 -1.903 4.857 0.579 1.00 0.00 C ATOM 530 CH2 TRP A 38 -1.803 5.959 -0.281 1.00 0.00 C ATOM 0 H TRP A 38 -1.693 6.434 4.818 1.00 0.00 H new ATOM 0 HA TRP A 38 0.275 4.856 6.317 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.964 5.240 4.538 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.677 4.168 4.024 1.00 0.00 H new ATOM 0 HD1 TRP A 38 1.960 7.772 3.463 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.994 8.690 1.247 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.231 3.927 2.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.880 7.846 -0.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.582 4.054 0.336 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.407 5.989 -1.176 1.00 0.00 H new ATOM 541 N ARG A 39 1.740 7.037 6.551 1.00 0.00 N ATOM 542 CA ARG A 39 2.271 8.293 7.067 1.00 0.00 C ATOM 543 C ARG A 39 3.213 8.941 6.056 1.00 0.00 C ATOM 544 O ARG A 39 3.438 8.407 4.969 1.00 0.00 O ATOM 545 CB ARG A 39 3.006 8.057 8.387 1.00 0.00 C ATOM 546 CG ARG A 39 2.108 8.150 9.610 1.00 0.00 C ATOM 547 CD ARG A 39 2.885 7.897 10.892 1.00 0.00 C ATOM 548 NE ARG A 39 2.053 8.070 12.079 1.00 0.00 N ATOM 549 CZ ARG A 39 1.732 9.256 12.585 1.00 0.00 C ATOM 550 NH1 ARG A 39 2.171 10.367 12.009 1.00 0.00 N ATOM 551 NH2 ARG A 39 0.970 9.333 13.669 1.00 0.00 N ATOM 0 H ARG A 39 2.379 6.246 6.628 1.00 0.00 H new ATOM 0 HA ARG A 39 1.433 8.968 7.242 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.471 7.072 8.363 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.810 8.787 8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.648 9.137 9.651 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.299 7.425 9.525 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.289 6.885 10.877 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.734 8.579 10.942 1.00 0.00 H new ATOM 0 HE ARG A 39 1.699 7.235 12.545 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.756 10.312 11.176 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.923 11.276 12.399 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.630 8.481 14.115 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.725 10.244 14.056 1.00 0.00 H new ATOM 565 N THR A 40 3.762 10.096 6.421 1.00 0.00 N ATOM 566 CA THR A 40 4.678 10.817 5.547 1.00 0.00 C ATOM 567 C THR A 40 6.027 10.113 5.464 1.00 0.00 C ATOM 568 O THR A 40 6.489 9.488 6.419 1.00 0.00 O ATOM 569 CB THR A 40 4.895 12.263 6.031 1.00 0.00 C ATOM 570 OG1 THR A 40 4.832 12.316 7.461 1.00 0.00 O ATOM 571 CG2 THR A 40 3.849 13.195 5.438 1.00 0.00 C ATOM 0 H THR A 40 3.588 10.552 7.317 1.00 0.00 H new ATOM 0 HA THR A 40 4.221 10.838 4.558 1.00 0.00 H new ATOM 0 HB THR A 40 5.880 12.590 5.699 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.973 13.238 7.761 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.023 14.210 5.794 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.919 13.175 4.350 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.855 12.868 5.744 1.00 0.00 H new ATOM 579 N PRO A 41 6.678 10.215 4.295 1.00 0.00 N ATOM 580 CA PRO A 41 7.985 9.596 4.060 1.00 0.00 C ATOM 581 C PRO A 41 9.099 10.273 4.851 1.00 0.00 C ATOM 582 O PRO A 41 9.045 11.475 5.112 1.00 0.00 O ATOM 583 CB PRO A 41 8.204 9.788 2.557 1.00 0.00 C ATOM 584 CG PRO A 41 7.385 10.981 2.205 1.00 0.00 C ATOM 585 CD PRO A 41 6.187 10.945 3.114 1.00 0.00 C ATOM 0 HA PRO A 41 8.004 8.554 4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.257 9.949 2.328 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.886 8.910 1.995 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.954 11.900 2.346 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.082 10.951 1.158 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.849 11.948 3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.344 10.435 2.648 1.00 0.00 H new ATOM 593 N ALA A 42 10.107 9.495 5.230 1.00 0.00 N ATOM 594 CA ALA A 42 11.235 10.021 5.989 1.00 0.00 C ATOM 595 C ALA A 42 11.916 11.162 5.241 1.00 0.00 C ATOM 596 O ALA A 42 12.509 12.051 5.852 1.00 0.00 O ATOM 597 CB ALA A 42 12.233 8.913 6.288 1.00 0.00 C ATOM 0 H ALA A 42 10.166 8.498 5.024 1.00 0.00 H new ATOM 0 HA ALA A 42 10.854 10.415 6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.070 9.320 6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.745 8.132 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.600 8.492 5.352 1.00 0.00 H new ATOM 603 N SER A 43 11.828 11.130 3.915 1.00 0.00 N ATOM 604 CA SER A 43 12.440 12.159 3.083 1.00 0.00 C ATOM 605 C SER A 43 11.570 13.411 3.040 1.00 0.00 C ATOM 606 O SER A 43 12.067 14.531 3.166 1.00 0.00 O ATOM 607 CB SER A 43 12.665 11.631 1.665 1.00 0.00 C ATOM 608 OG SER A 43 12.858 12.695 0.749 1.00 0.00 O ATOM 0 H SER A 43 11.339 10.402 3.394 1.00 0.00 H new ATOM 0 HA SER A 43 13.403 12.422 3.522 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.534 10.974 1.652 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.808 11.032 1.356 1.00 0.00 H new ATOM 0 HG SER A 43 13.443 12.398 0.021 1.00 0.00 H new ATOM 614 N ASP A 44 10.268 13.214 2.860 1.00 0.00 N ATOM 615 CA ASP A 44 9.327 14.326 2.801 1.00 0.00 C ATOM 616 C ASP A 44 8.394 14.313 4.008 1.00 0.00 C ATOM 617 O ASP A 44 7.372 13.627 4.026 1.00 0.00 O ATOM 618 CB ASP A 44 8.511 14.263 1.509 1.00 0.00 C ATOM 619 CG ASP A 44 9.264 13.587 0.381 1.00 0.00 C ATOM 620 OD1 ASP A 44 10.081 14.264 -0.276 1.00 0.00 O ATOM 621 OD2 ASP A 44 9.035 12.380 0.154 1.00 0.00 O ATOM 0 H ASP A 44 9.841 12.294 2.752 1.00 0.00 H new ATOM 0 HA ASP A 44 9.898 15.254 2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.582 13.725 1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.238 15.274 1.205 1.00 0.00 H new ATOM 626 N PRO A 45 8.753 15.089 5.042 1.00 0.00 N ATOM 627 CA PRO A 45 7.962 15.183 6.273 1.00 0.00 C ATOM 628 C PRO A 45 6.640 15.913 6.057 1.00 0.00 C ATOM 629 O PRO A 45 5.823 16.021 6.972 1.00 0.00 O ATOM 630 CB PRO A 45 8.866 15.981 7.215 1.00 0.00 C ATOM 631 CG PRO A 45 9.743 16.780 6.313 1.00 0.00 C ATOM 632 CD PRO A 45 9.958 15.933 5.090 1.00 0.00 C ATOM 0 HA PRO A 45 7.685 14.201 6.657 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.282 16.625 7.872 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.452 15.321 7.854 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.274 17.729 6.053 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.691 17.014 6.797 1.00 0.00 H new ATOM 0 HD2 PRO A 45 10.057 16.542 4.192 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.865 15.334 5.171 1.00 0.00 H new ATOM 640 N HIS A 46 6.436 16.412 4.843 1.00 0.00 N ATOM 641 CA HIS A 46 5.212 17.131 4.507 1.00 0.00 C ATOM 642 C HIS A 46 4.471 16.440 3.367 1.00 0.00 C ATOM 643 O HIS A 46 3.253 16.558 3.243 1.00 0.00 O ATOM 644 CB HIS A 46 5.534 18.575 4.121 1.00 0.00 C ATOM 645 CG HIS A 46 5.696 19.488 5.297 1.00 0.00 C ATOM 646 ND1 HIS A 46 4.655 19.831 6.133 1.00 0.00 N ATOM 647 CD2 HIS A 46 6.788 20.129 5.776 1.00 0.00 C ATOM 648 CE1 HIS A 46 5.099 20.644 7.075 1.00 0.00 C ATOM 649 NE2 HIS A 46 6.390 20.841 6.881 1.00 0.00 N ATOM 0 H HIS A 46 7.102 16.332 4.075 1.00 0.00 H new ATOM 0 HA HIS A 46 4.568 17.133 5.386 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.451 18.589 3.532 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.738 18.957 3.482 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.786 20.088 5.366 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.507 21.074 7.869 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.994 21.427 7.458 1.00 0.00 H new ATOM 658 N GLY A 47 5.216 15.719 2.534 1.00 0.00 N ATOM 659 CA GLY A 47 4.613 15.020 1.414 1.00 0.00 C ATOM 660 C GLY A 47 3.403 15.747 0.862 1.00 0.00 C ATOM 661 O GLY A 47 2.419 15.119 0.469 1.00 0.00 O ATOM 0 H GLY A 47 6.227 15.607 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.353 14.900 0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.319 14.019 1.730 1.00 0.00 H new ATOM 665 N ASP A 48 3.473 17.073 0.833 1.00 0.00 N ATOM 666 CA ASP A 48 2.374 17.887 0.325 1.00 0.00 C ATOM 667 C ASP A 48 2.618 18.284 -1.127 1.00 0.00 C ATOM 668 O ASP A 48 1.692 18.669 -1.839 1.00 0.00 O ATOM 669 CB ASP A 48 2.197 19.138 1.187 1.00 0.00 C ATOM 670 CG ASP A 48 0.814 19.743 1.051 1.00 0.00 C ATOM 671 OD1 ASP A 48 0.554 20.403 0.024 1.00 0.00 O ATOM 672 OD2 ASP A 48 -0.008 19.557 1.973 1.00 0.00 O ATOM 0 H ASP A 48 4.279 17.608 1.155 1.00 0.00 H new ATOM 0 HA ASP A 48 1.462 17.292 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.379 18.885 2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.944 19.879 0.904 1.00 0.00 H new ATOM 677 N ASN A 49 3.872 18.188 -1.559 1.00 0.00 N ATOM 678 CA ASN A 49 4.238 18.540 -2.926 1.00 0.00 C ATOM 679 C ASN A 49 4.567 17.291 -3.739 1.00 0.00 C ATOM 680 O ASN A 49 5.296 17.356 -4.730 1.00 0.00 O ATOM 681 CB ASN A 49 5.435 19.492 -2.927 1.00 0.00 C ATOM 682 CG ASN A 49 6.417 19.187 -1.812 1.00 0.00 C ATOM 683 OD1 ASN A 49 6.749 20.057 -1.007 1.00 0.00 O ATOM 684 ND2 ASN A 49 6.888 17.947 -1.762 1.00 0.00 N ATOM 0 H ASN A 49 4.651 17.870 -0.982 1.00 0.00 H new ATOM 0 HA ASN A 49 3.386 19.039 -3.387 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.947 19.426 -3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.080 20.518 -2.825 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.553 17.683 -1.035 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.585 17.258 -2.450 1.00 0.00 H new ATOM 691 N LEU A 50 4.024 16.155 -3.314 1.00 0.00 N ATOM 692 CA LEU A 50 4.259 14.891 -4.002 1.00 0.00 C ATOM 693 C LEU A 50 3.033 13.987 -3.914 1.00 0.00 C ATOM 694 O LEU A 50 2.424 13.850 -2.852 1.00 0.00 O ATOM 695 CB LEU A 50 5.475 14.180 -3.405 1.00 0.00 C ATOM 696 CG LEU A 50 5.685 14.359 -1.901 1.00 0.00 C ATOM 697 CD1 LEU A 50 4.877 13.332 -1.124 1.00 0.00 C ATOM 698 CD2 LEU A 50 7.163 14.253 -1.553 1.00 0.00 C ATOM 0 H LEU A 50 3.418 16.084 -2.496 1.00 0.00 H new ATOM 0 HA LEU A 50 4.453 15.108 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.387 13.114 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.367 14.534 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 50 5.337 15.353 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.039 13.474 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.818 13.455 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.194 12.329 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.294 14.383 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.537 13.273 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.718 15.028 -2.082 1.00 0.00 H new ATOM 710 N THR A 51 2.677 13.369 -5.036 1.00 0.00 N ATOM 711 CA THR A 51 1.526 12.477 -5.085 1.00 0.00 C ATOM 712 C THR A 51 1.900 11.070 -4.633 1.00 0.00 C ATOM 713 O THR A 51 3.073 10.694 -4.648 1.00 0.00 O ATOM 714 CB THR A 51 0.930 12.407 -6.504 1.00 0.00 C ATOM 715 OG1 THR A 51 1.154 13.643 -7.191 1.00 0.00 O ATOM 716 CG2 THR A 51 -0.562 12.113 -6.450 1.00 0.00 C ATOM 0 H THR A 51 3.170 13.470 -5.923 1.00 0.00 H new ATOM 0 HA THR A 51 0.779 12.887 -4.405 1.00 0.00 H new ATOM 0 HB THR A 51 1.424 11.598 -7.043 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.774 13.590 -8.093 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.961 12.068 -7.463 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.727 11.157 -5.953 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.069 12.903 -5.895 1.00 0.00 H new ATOM 724 N TYR A 52 0.898 10.296 -4.233 1.00 0.00 N ATOM 725 CA TYR A 52 1.122 8.930 -3.774 1.00 0.00 C ATOM 726 C TYR A 52 0.433 7.927 -4.694 1.00 0.00 C ATOM 727 O TYR A 52 -0.759 8.044 -4.977 1.00 0.00 O ATOM 728 CB TYR A 52 0.613 8.760 -2.342 1.00 0.00 C ATOM 729 CG TYR A 52 1.363 9.595 -1.330 1.00 0.00 C ATOM 730 CD1 TYR A 52 2.715 9.383 -1.089 1.00 0.00 C ATOM 731 CD2 TYR A 52 0.719 10.596 -0.612 1.00 0.00 C ATOM 732 CE1 TYR A 52 3.404 10.143 -0.164 1.00 0.00 C ATOM 733 CE2 TYR A 52 1.401 11.362 0.314 1.00 0.00 C ATOM 734 CZ TYR A 52 2.743 11.132 0.534 1.00 0.00 C ATOM 735 OH TYR A 52 3.425 11.892 1.457 1.00 0.00 O ATOM 0 H TYR A 52 -0.078 10.591 -4.217 1.00 0.00 H new ATOM 0 HA TYR A 52 2.195 8.738 -3.795 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.444 9.025 -2.307 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.688 7.710 -2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.236 8.610 -1.635 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.332 10.778 -0.781 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.454 9.964 0.012 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.886 12.137 0.863 1.00 0.00 H new ATOM 0 HH TYR A 52 2.810 12.534 1.871 1.00 0.00 H new ATOM 745 N SER A 53 1.193 6.940 -5.158 1.00 0.00 N ATOM 746 CA SER A 53 0.658 5.917 -6.048 1.00 0.00 C ATOM 747 C SER A 53 0.495 4.589 -5.314 1.00 0.00 C ATOM 748 O SER A 53 1.367 4.178 -4.549 1.00 0.00 O ATOM 749 CB SER A 53 1.576 5.733 -7.259 1.00 0.00 C ATOM 750 OG SER A 53 1.253 6.652 -8.288 1.00 0.00 O ATOM 0 H SER A 53 2.181 6.827 -4.932 1.00 0.00 H new ATOM 0 HA SER A 53 -0.323 6.246 -6.391 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.614 5.871 -6.957 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.486 4.714 -7.636 1.00 0.00 H new ATOM 0 HG SER A 53 1.611 6.327 -9.141 1.00 0.00 H new ATOM 756 N VAL A 54 -0.630 3.923 -5.553 1.00 0.00 N ATOM 757 CA VAL A 54 -0.910 2.641 -4.917 1.00 0.00 C ATOM 758 C VAL A 54 -1.027 1.528 -5.951 1.00 0.00 C ATOM 759 O VAL A 54 -1.976 1.492 -6.736 1.00 0.00 O ATOM 760 CB VAL A 54 -2.207 2.697 -4.089 1.00 0.00 C ATOM 761 CG1 VAL A 54 -2.554 1.319 -3.546 1.00 0.00 C ATOM 762 CG2 VAL A 54 -2.075 3.706 -2.958 1.00 0.00 C ATOM 0 H VAL A 54 -1.363 4.250 -6.183 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.073 2.428 -4.252 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.019 3.020 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.473 1.378 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.694 0.626 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.744 0.964 -2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.001 3.732 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.251 3.416 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.878 4.694 -3.373 1.00 0.00 H new ATOM 772 N PHE A 55 -0.058 0.619 -5.947 1.00 0.00 N ATOM 773 CA PHE A 55 -0.052 -0.497 -6.886 1.00 0.00 C ATOM 774 C PHE A 55 -0.571 -1.769 -6.222 1.00 0.00 C ATOM 775 O PHE A 55 0.034 -2.282 -5.280 1.00 0.00 O ATOM 776 CB PHE A 55 1.361 -0.730 -7.425 1.00 0.00 C ATOM 777 CG PHE A 55 1.951 0.475 -8.101 1.00 0.00 C ATOM 778 CD1 PHE A 55 2.545 1.482 -7.357 1.00 0.00 C ATOM 779 CD2 PHE A 55 1.910 0.602 -9.480 1.00 0.00 C ATOM 780 CE1 PHE A 55 3.089 2.592 -7.976 1.00 0.00 C ATOM 781 CE2 PHE A 55 2.453 1.709 -10.104 1.00 0.00 C ATOM 782 CZ PHE A 55 3.042 2.706 -9.351 1.00 0.00 C ATOM 0 H PHE A 55 0.734 0.633 -5.304 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.713 -0.245 -7.715 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.010 -1.029 -6.602 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.339 -1.559 -8.132 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.583 1.399 -6.281 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.448 -0.173 -10.074 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.550 3.369 -7.385 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.417 1.795 -11.180 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.465 3.573 -9.837 1.00 0.00 H new ATOM 792 N TYR A 56 -1.694 -2.273 -6.720 1.00 0.00 N ATOM 793 CA TYR A 56 -2.297 -3.483 -6.175 1.00 0.00 C ATOM 794 C TYR A 56 -2.259 -4.618 -7.193 1.00 0.00 C ATOM 795 O TYR A 56 -2.275 -4.385 -8.402 1.00 0.00 O ATOM 796 CB TYR A 56 -3.742 -3.212 -5.751 1.00 0.00 C ATOM 797 CG TYR A 56 -4.550 -2.473 -6.793 1.00 0.00 C ATOM 798 CD1 TYR A 56 -5.142 -3.152 -7.851 1.00 0.00 C ATOM 799 CD2 TYR A 56 -4.723 -1.097 -6.720 1.00 0.00 C ATOM 800 CE1 TYR A 56 -5.881 -2.482 -8.807 1.00 0.00 C ATOM 801 CE2 TYR A 56 -5.462 -0.418 -7.670 1.00 0.00 C ATOM 802 CZ TYR A 56 -6.038 -1.115 -8.712 1.00 0.00 C ATOM 803 OH TYR A 56 -6.775 -0.443 -9.660 1.00 0.00 O ATOM 0 H TYR A 56 -2.206 -1.862 -7.501 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.719 -3.784 -5.301 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.231 -4.161 -5.530 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.738 -2.632 -4.828 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.022 -4.223 -7.927 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.272 -0.548 -5.907 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.333 -3.025 -9.624 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.588 0.652 -7.597 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.789 0.513 -9.446 1.00 0.00 H new ATOM 813 N THR A 57 -2.209 -5.850 -6.696 1.00 0.00 N ATOM 814 CA THR A 57 -2.168 -7.022 -7.560 1.00 0.00 C ATOM 815 C THR A 57 -2.451 -8.296 -6.772 1.00 0.00 C ATOM 816 O THR A 57 -2.280 -8.336 -5.554 1.00 0.00 O ATOM 817 CB THR A 57 -0.803 -7.157 -8.260 1.00 0.00 C ATOM 818 OG1 THR A 57 -0.657 -8.475 -8.800 1.00 0.00 O ATOM 819 CG2 THR A 57 0.333 -6.873 -7.289 1.00 0.00 C ATOM 0 H THR A 57 -2.196 -6.061 -5.698 1.00 0.00 H new ATOM 0 HA THR A 57 -2.942 -6.885 -8.315 1.00 0.00 H new ATOM 0 HB THR A 57 -0.760 -6.427 -9.068 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.213 -8.552 -9.245 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.287 -6.974 -7.806 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.236 -5.859 -6.902 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.291 -7.582 -6.462 1.00 0.00 H new ATOM 827 N LYS A 58 -2.883 -9.338 -7.476 1.00 0.00 N ATOM 828 CA LYS A 58 -3.187 -10.616 -6.843 1.00 0.00 C ATOM 829 C LYS A 58 -1.912 -11.412 -6.585 1.00 0.00 C ATOM 830 O LYS A 58 -1.086 -11.584 -7.480 1.00 0.00 O ATOM 831 CB LYS A 58 -4.140 -11.429 -7.722 1.00 0.00 C ATOM 832 CG LYS A 58 -4.924 -12.481 -6.956 1.00 0.00 C ATOM 833 CD LYS A 58 -5.256 -13.677 -7.833 1.00 0.00 C ATOM 834 CE LYS A 58 -6.385 -13.362 -8.802 1.00 0.00 C ATOM 835 NZ LYS A 58 -7.720 -13.670 -8.217 1.00 0.00 N ATOM 0 H LYS A 58 -3.030 -9.322 -8.485 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.668 -10.414 -5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.839 -10.750 -8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.567 -11.917 -8.510 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.345 -12.811 -6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.845 -12.042 -6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.369 -13.977 -8.391 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.539 -14.522 -7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.344 -12.308 -9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.248 -13.937 -9.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.462 -13.216 -8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.868 -14.699 -8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.763 -13.310 -7.242 1.00 0.00 H new ATOM 924 N GLU A 64 0.067 -5.306 -11.951 1.00 0.00 N ATOM 925 CA GLU A 64 -0.512 -4.469 -10.907 1.00 0.00 C ATOM 926 C GLU A 64 -0.983 -3.135 -11.479 1.00 0.00 C ATOM 927 O GLU A 64 -0.399 -2.613 -12.428 1.00 0.00 O ATOM 928 CB GLU A 64 0.508 -4.226 -9.792 1.00 0.00 C ATOM 929 CG GLU A 64 1.538 -3.161 -10.131 1.00 0.00 C ATOM 930 CD GLU A 64 2.424 -3.556 -11.296 1.00 0.00 C ATOM 931 OE1 GLU A 64 2.759 -4.754 -11.408 1.00 0.00 O ATOM 932 OE2 GLU A 64 2.782 -2.667 -12.097 1.00 0.00 O ATOM 0 HA GLU A 64 -1.374 -4.993 -10.493 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.021 -3.933 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.023 -5.161 -9.572 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.026 -2.228 -10.369 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.159 -2.970 -9.256 1.00 0.00 H new ATOM 939 N ARG A 65 -2.045 -2.589 -10.894 1.00 0.00 N ATOM 940 CA ARG A 65 -2.597 -1.318 -11.346 1.00 0.00 C ATOM 941 C ARG A 65 -2.285 -0.205 -10.350 1.00 0.00 C ATOM 942 O ARG A 65 -2.372 -0.401 -9.137 1.00 0.00 O ATOM 943 CB ARG A 65 -4.110 -1.434 -11.540 1.00 0.00 C ATOM 944 CG ARG A 65 -4.525 -2.625 -12.388 1.00 0.00 C ATOM 945 CD ARG A 65 -4.589 -2.263 -13.864 1.00 0.00 C ATOM 946 NE ARG A 65 -5.896 -1.729 -14.240 1.00 0.00 N ATOM 947 CZ ARG A 65 -6.991 -2.473 -14.343 1.00 0.00 C ATOM 948 NH1 ARG A 65 -6.938 -3.775 -14.099 1.00 0.00 N ATOM 949 NH2 ARG A 65 -8.144 -1.914 -14.691 1.00 0.00 N ATOM 0 H ARG A 65 -2.540 -3.007 -10.106 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.134 -1.069 -12.301 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.588 -1.510 -10.564 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.479 -0.520 -12.006 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.817 -3.441 -12.243 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.499 -2.986 -12.058 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.818 -1.527 -14.091 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.372 -3.147 -14.464 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.971 -0.730 -14.434 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.054 -4.208 -13.831 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.781 -4.344 -14.179 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.189 -0.913 -14.879 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.985 -2.486 -14.770 1.00 0.00 H new ATOM 963 N VAL A 66 -1.921 0.963 -10.870 1.00 0.00 N ATOM 964 CA VAL A 66 -1.597 2.107 -10.026 1.00 0.00 C ATOM 965 C VAL A 66 -2.779 3.064 -9.920 1.00 0.00 C ATOM 966 O VAL A 66 -3.389 3.426 -10.925 1.00 0.00 O ATOM 967 CB VAL A 66 -0.376 2.875 -10.567 1.00 0.00 C ATOM 968 CG1 VAL A 66 -0.795 3.832 -11.673 1.00 0.00 C ATOM 969 CG2 VAL A 66 0.325 3.621 -9.442 1.00 0.00 C ATOM 0 H VAL A 66 -1.843 1.142 -11.871 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.361 1.714 -9.037 1.00 0.00 H new ATOM 0 HB VAL A 66 0.327 2.156 -10.988 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.080 4.366 -12.043 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.249 3.269 -12.489 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.517 4.548 -11.281 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.185 4.158 -9.842 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.367 4.331 -8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.660 2.910 -8.687 1.00 0.00 H new ATOM 979 N GLU A 67 -3.096 3.470 -8.694 1.00 0.00 N ATOM 980 CA GLU A 67 -4.206 4.386 -8.457 1.00 0.00 C ATOM 981 C GLU A 67 -3.715 5.685 -7.826 1.00 0.00 C ATOM 982 O GLU A 67 -3.339 5.715 -6.655 1.00 0.00 O ATOM 983 CB GLU A 67 -5.252 3.730 -7.553 1.00 0.00 C ATOM 984 CG GLU A 67 -6.664 4.243 -7.784 1.00 0.00 C ATOM 985 CD GLU A 67 -7.210 3.856 -9.145 1.00 0.00 C ATOM 986 OE1 GLU A 67 -7.806 2.765 -9.257 1.00 0.00 O ATOM 987 OE2 GLU A 67 -7.040 4.645 -10.098 1.00 0.00 O ATOM 0 H GLU A 67 -2.601 3.180 -7.851 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.662 4.620 -9.419 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.235 2.652 -7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.978 3.900 -6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.321 3.850 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.672 5.329 -7.689 1.00 0.00 H new ATOM 994 N ASN A 68 -3.720 6.757 -8.611 1.00 0.00 N ATOM 995 CA ASN A 68 -3.274 8.060 -8.130 1.00 0.00 C ATOM 996 C ASN A 68 -4.278 8.648 -7.143 1.00 0.00 C ATOM 997 O ASN A 68 -5.464 8.776 -7.448 1.00 0.00 O ATOM 998 CB ASN A 68 -3.075 9.019 -9.305 1.00 0.00 C ATOM 999 CG ASN A 68 -2.346 8.369 -10.465 1.00 0.00 C ATOM 1000 OD1 ASN A 68 -2.878 8.272 -11.571 1.00 0.00 O ATOM 1001 ND2 ASN A 68 -1.121 7.920 -10.217 1.00 0.00 N ATOM 0 H ASN A 68 -4.028 6.749 -9.583 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.323 7.924 -7.615 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.046 9.379 -9.645 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.513 9.890 -8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.582 7.473 -10.959 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.720 8.022 -9.285 1.00 0.00 H new ATOM 1008 N THR A 69 -3.794 9.005 -5.957 1.00 0.00 N ATOM 1009 CA THR A 69 -4.648 9.579 -4.925 1.00 0.00 C ATOM 1010 C THR A 69 -5.426 10.776 -5.458 1.00 0.00 C ATOM 1011 O THR A 69 -4.854 11.679 -6.069 1.00 0.00 O ATOM 1012 CB THR A 69 -3.827 10.021 -3.699 1.00 0.00 C ATOM 1013 OG1 THR A 69 -2.812 10.949 -4.096 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.185 8.821 -3.017 1.00 0.00 C ATOM 0 H THR A 69 -2.815 8.907 -5.688 1.00 0.00 H new ATOM 0 HA THR A 69 -5.347 8.799 -4.624 1.00 0.00 H new ATOM 0 HB THR A 69 -4.502 10.503 -2.992 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.016 11.834 -3.728 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.610 9.157 -2.154 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.962 8.130 -2.689 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.523 8.315 -3.719 1.00 0.00 H new ATOM 1022 N SER A 70 -6.735 10.778 -5.224 1.00 0.00 N ATOM 1023 CA SER A 70 -7.593 11.864 -5.684 1.00 0.00 C ATOM 1024 C SER A 70 -6.936 13.218 -5.434 1.00 0.00 C ATOM 1025 O SER A 70 -7.186 14.184 -6.155 1.00 0.00 O ATOM 1026 CB SER A 70 -8.949 11.804 -4.978 1.00 0.00 C ATOM 1027 OG SER A 70 -8.795 11.876 -3.571 1.00 0.00 O ATOM 0 H SER A 70 -7.224 10.039 -4.718 1.00 0.00 H new ATOM 0 HA SER A 70 -7.744 11.746 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.578 12.626 -5.321 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.461 10.879 -5.244 1.00 0.00 H new ATOM 0 HG SER A 70 -9.676 11.837 -3.143 1.00 0.00 H new ATOM 1033 N HIS A 71 -6.094 13.280 -4.408 1.00 0.00 N ATOM 1034 CA HIS A 71 -5.399 14.515 -4.062 1.00 0.00 C ATOM 1035 C HIS A 71 -3.950 14.235 -3.677 1.00 0.00 C ATOM 1036 O HIS A 71 -3.631 13.214 -3.066 1.00 0.00 O ATOM 1037 CB HIS A 71 -6.117 15.224 -2.913 1.00 0.00 C ATOM 1038 CG HIS A 71 -7.586 15.402 -3.143 1.00 0.00 C ATOM 1039 ND1 HIS A 71 -8.102 16.290 -4.064 1.00 0.00 N ATOM 1040 CD2 HIS A 71 -8.652 14.798 -2.567 1.00 0.00 C ATOM 1041 CE1 HIS A 71 -9.421 16.226 -4.043 1.00 0.00 C ATOM 1042 NE2 HIS A 71 -9.780 15.328 -3.143 1.00 0.00 N ATOM 0 H HIS A 71 -5.876 12.490 -3.801 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.404 15.163 -4.939 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.968 14.654 -1.996 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.661 16.202 -2.759 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.621 14.041 -1.798 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.092 16.809 -4.657 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.740 15.070 -2.913 1.00 0.00 H new ATOM 1051 N PRO A 72 -3.050 15.160 -4.042 1.00 0.00 N ATOM 1052 CA PRO A 72 -1.620 15.034 -3.745 1.00 0.00 C ATOM 1053 C PRO A 72 -1.321 15.188 -2.258 1.00 0.00 C ATOM 1054 O PRO A 72 -1.723 16.169 -1.633 1.00 0.00 O ATOM 1055 CB PRO A 72 -0.991 16.180 -4.539 1.00 0.00 C ATOM 1056 CG PRO A 72 -2.081 17.186 -4.682 1.00 0.00 C ATOM 1057 CD PRO A 72 -3.359 16.400 -4.773 1.00 0.00 C ATOM 0 HA PRO A 72 -1.233 14.050 -4.011 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.132 16.599 -4.016 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.637 15.840 -5.512 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.100 17.865 -3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.934 17.797 -5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.193 16.936 -4.320 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.634 16.198 -5.808 1.00 0.00 H new ATOM 1065 N GLY A 73 -0.613 14.213 -1.696 1.00 0.00 N ATOM 1066 CA GLY A 73 -0.272 14.261 -0.287 1.00 0.00 C ATOM 1067 C GLY A 73 -1.235 13.464 0.570 1.00 0.00 C ATOM 1068 O GLY A 73 -0.956 13.190 1.737 1.00 0.00 O ATOM 0 H GLY A 73 -0.270 13.391 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.738 13.876 -0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.266 15.299 0.047 1.00 0.00 H new ATOM 1072 N GLU A 74 -2.373 13.093 -0.010 1.00 0.00 N ATOM 1073 CA GLU A 74 -3.381 12.324 0.711 1.00 0.00 C ATOM 1074 C GLU A 74 -2.756 11.110 1.392 1.00 0.00 C ATOM 1075 O GLU A 74 -2.165 10.253 0.736 1.00 0.00 O ATOM 1076 CB GLU A 74 -4.489 11.873 -0.244 1.00 0.00 C ATOM 1077 CG GLU A 74 -5.808 11.581 0.450 1.00 0.00 C ATOM 1078 CD GLU A 74 -6.891 11.143 -0.516 1.00 0.00 C ATOM 1079 OE1 GLU A 74 -6.546 10.593 -1.583 1.00 0.00 O ATOM 1080 OE2 GLU A 74 -8.083 11.349 -0.206 1.00 0.00 O ATOM 0 H GLU A 74 -2.619 13.312 -0.975 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.812 12.967 1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.647 12.647 -0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.160 10.978 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.656 10.802 1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.140 12.473 0.982 1.00 0.00 H new ATOM 1087 N MET A 75 -2.891 11.045 2.713 1.00 0.00 N ATOM 1088 CA MET A 75 -2.340 9.936 3.483 1.00 0.00 C ATOM 1089 C MET A 75 -3.309 8.759 3.509 1.00 0.00 C ATOM 1090 O MET A 75 -3.086 7.776 4.216 1.00 0.00 O ATOM 1091 CB MET A 75 -2.027 10.386 4.911 1.00 0.00 C ATOM 1092 CG MET A 75 -0.882 11.382 4.998 1.00 0.00 C ATOM 1093 SD MET A 75 0.722 10.582 5.191 1.00 0.00 S ATOM 1094 CE MET A 75 1.277 10.519 3.490 1.00 0.00 C ATOM 0 H MET A 75 -3.377 11.747 3.272 1.00 0.00 H new ATOM 0 HA MET A 75 -1.417 9.613 3.001 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.921 10.834 5.346 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.783 9.511 5.514 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.871 11.996 4.098 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.053 12.053 5.840 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.189 9.925 3.427 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.504 10.064 2.872 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.477 11.530 3.135 1.00 0.00 H new ATOM 1104 N GLN A 76 -4.385 8.865 2.736 1.00 0.00 N ATOM 1105 CA GLN A 76 -5.387 7.809 2.672 1.00 0.00 C ATOM 1106 C GLN A 76 -6.005 7.727 1.280 1.00 0.00 C ATOM 1107 O GLN A 76 -6.337 8.747 0.676 1.00 0.00 O ATOM 1108 CB GLN A 76 -6.481 8.051 3.714 1.00 0.00 C ATOM 1109 CG GLN A 76 -5.981 8.750 4.968 1.00 0.00 C ATOM 1110 CD GLN A 76 -6.026 10.261 4.851 1.00 0.00 C ATOM 1111 OE1 GLN A 76 -4.999 10.910 4.649 1.00 0.00 O ATOM 1112 NE2 GLN A 76 -7.219 10.830 4.978 1.00 0.00 N ATOM 0 H GLN A 76 -4.585 9.672 2.145 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.893 6.861 2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.273 8.650 3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.924 7.095 3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.586 8.437 5.819 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.957 8.435 5.171 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.044 10.254 5.145 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.311 11.844 4.909 1.00 0.00 H new ATOM 1121 N VAL A 77 -6.156 6.507 0.775 1.00 0.00 N ATOM 1122 CA VAL A 77 -6.734 6.292 -0.546 1.00 0.00 C ATOM 1123 C VAL A 77 -7.644 5.069 -0.555 1.00 0.00 C ATOM 1124 O VAL A 77 -7.548 4.202 0.315 1.00 0.00 O ATOM 1125 CB VAL A 77 -5.640 6.112 -1.615 1.00 0.00 C ATOM 1126 CG1 VAL A 77 -5.057 4.708 -1.551 1.00 0.00 C ATOM 1127 CG2 VAL A 77 -6.196 6.405 -3.000 1.00 0.00 C ATOM 0 H VAL A 77 -5.886 5.652 1.261 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.320 7.180 -0.783 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.838 6.822 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.286 4.599 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.620 4.540 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.847 3.978 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.410 6.273 -3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.017 5.721 -3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.561 7.432 -3.036 1.00 0.00 H new ATOM 1137 N THR A 78 -8.529 5.003 -1.545 1.00 0.00 N ATOM 1138 CA THR A 78 -9.458 3.887 -1.668 1.00 0.00 C ATOM 1139 C THR A 78 -9.221 3.114 -2.960 1.00 0.00 C ATOM 1140 O THR A 78 -9.000 3.707 -4.017 1.00 0.00 O ATOM 1141 CB THR A 78 -10.921 4.367 -1.631 1.00 0.00 C ATOM 1142 OG1 THR A 78 -11.134 5.201 -0.487 1.00 0.00 O ATOM 1143 CG2 THR A 78 -11.877 3.184 -1.588 1.00 0.00 C ATOM 0 H THR A 78 -8.622 5.710 -2.274 1.00 0.00 H new ATOM 0 HA THR A 78 -9.277 3.230 -0.817 1.00 0.00 H new ATOM 0 HB THR A 78 -11.116 4.939 -2.538 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.266 6.128 -0.778 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.904 3.547 -1.562 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.732 2.567 -2.475 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.680 2.589 -0.696 1.00 0.00 H new ATOM 1151 N ILE A 79 -9.268 1.790 -2.869 1.00 0.00 N ATOM 1152 CA ILE A 79 -9.060 0.936 -4.033 1.00 0.00 C ATOM 1153 C ILE A 79 -10.307 0.116 -4.343 1.00 0.00 C ATOM 1154 O ILE A 79 -10.498 -0.971 -3.799 1.00 0.00 O ATOM 1155 CB ILE A 79 -7.870 -0.019 -3.825 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -6.681 0.735 -3.225 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -7.480 -0.673 -5.142 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -6.196 1.881 -4.086 1.00 0.00 C ATOM 0 H ILE A 79 -9.448 1.284 -2.002 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.844 1.595 -4.873 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.169 -0.802 -3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.963 1.121 -2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.860 0.036 -3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.638 -1.345 -4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.326 -1.239 -5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.197 0.096 -5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.352 2.370 -3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.883 1.499 -5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.003 2.601 -4.222 1.00 0.00 H new ATOM 1170 N GLN A 80 -11.153 0.645 -5.222 1.00 0.00 N ATOM 1171 CA GLN A 80 -12.382 -0.040 -5.606 1.00 0.00 C ATOM 1172 C GLN A 80 -12.137 -0.978 -6.783 1.00 0.00 C ATOM 1173 O GLN A 80 -11.026 -1.061 -7.303 1.00 0.00 O ATOM 1174 CB GLN A 80 -13.466 0.978 -5.966 1.00 0.00 C ATOM 1175 CG GLN A 80 -13.760 1.973 -4.855 1.00 0.00 C ATOM 1176 CD GLN A 80 -14.773 3.023 -5.265 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -15.818 2.705 -5.835 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -14.470 4.283 -4.977 1.00 0.00 N ATOM 0 H GLN A 80 -11.010 1.545 -5.681 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.719 -0.634 -4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.159 1.523 -6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.383 0.446 -6.218 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.131 1.437 -3.981 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.833 2.464 -4.558 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -13.593 4.501 -4.504 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -15.114 5.033 -5.229 1.00 0.00 H new ATOM 1187 N ASN A 81 -13.184 -1.685 -7.197 1.00 0.00 N ATOM 1188 CA ASN A 81 -13.082 -2.619 -8.312 1.00 0.00 C ATOM 1189 C ASN A 81 -12.196 -3.807 -7.948 1.00 0.00 C ATOM 1190 O ASN A 81 -11.347 -4.226 -8.736 1.00 0.00 O ATOM 1191 CB ASN A 81 -12.524 -1.912 -9.548 1.00 0.00 C ATOM 1192 CG ASN A 81 -13.268 -0.630 -9.867 1.00 0.00 C ATOM 1193 OD1 ASN A 81 -14.310 -0.650 -10.523 1.00 0.00 O ATOM 1194 ND2 ASN A 81 -12.736 0.495 -9.402 1.00 0.00 N ATOM 0 H ASN A 81 -14.112 -1.629 -6.777 1.00 0.00 H new ATOM 0 HA ASN A 81 -14.083 -2.990 -8.535 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.469 -1.687 -9.389 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -12.581 -2.584 -10.404 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.193 1.389 -9.584 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.871 0.465 -8.863 1.00 0.00 H new ATOM 1201 N LEU A 82 -12.400 -4.345 -6.751 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.621 -5.485 -6.282 1.00 0.00 C ATOM 1203 C LEU A 82 -12.520 -6.689 -6.021 1.00 0.00 C ATOM 1204 O LEU A 82 -13.742 -6.561 -5.959 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.859 -5.117 -5.007 1.00 0.00 C ATOM 1206 CG LEU A 82 -9.907 -3.925 -5.114 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -9.293 -3.609 -3.760 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -8.821 -4.200 -6.144 1.00 0.00 C ATOM 0 H LEU A 82 -13.098 -4.010 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.907 -5.751 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.585 -4.907 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.285 -5.987 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.478 -3.057 -5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.619 -2.758 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.083 -3.367 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.736 -4.475 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.153 -3.341 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.252 -5.081 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.279 -4.375 -7.118 1.00 0.00 H new ATOM 1220 N MET A 83 -11.906 -7.857 -5.866 1.00 0.00 N ATOM 1221 CA MET A 83 -12.651 -9.084 -5.608 1.00 0.00 C ATOM 1222 C MET A 83 -12.575 -9.466 -4.134 1.00 0.00 C ATOM 1223 O MET A 83 -11.519 -9.401 -3.504 1.00 0.00 O ATOM 1224 CB MET A 83 -12.111 -10.226 -6.471 1.00 0.00 C ATOM 1225 CG MET A 83 -12.868 -11.532 -6.295 1.00 0.00 C ATOM 1226 SD MET A 83 -14.270 -11.679 -7.418 1.00 0.00 S ATOM 1227 CE MET A 83 -13.439 -11.645 -9.004 1.00 0.00 C ATOM 0 H MET A 83 -10.895 -7.980 -5.915 1.00 0.00 H new ATOM 0 HA MET A 83 -13.695 -8.906 -5.866 1.00 0.00 H new ATOM 0 HB2 MET A 83 -12.153 -9.930 -7.519 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.061 -10.389 -6.228 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.187 -12.367 -6.459 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.222 -11.607 -5.267 1.00 0.00 H new ATOM 0 HE1 MET A 83 -13.798 -12.469 -9.621 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.648 -10.699 -9.504 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.364 -11.746 -8.854 1.00 0.00 H new ATOM 1237 N PRO A 84 -13.721 -9.874 -3.567 1.00 0.00 N ATOM 1238 CA PRO A 84 -13.809 -10.275 -2.160 1.00 0.00 C ATOM 1239 C PRO A 84 -13.090 -11.591 -1.886 1.00 0.00 C ATOM 1240 O PRO A 84 -12.884 -12.397 -2.792 1.00 0.00 O ATOM 1241 CB PRO A 84 -15.315 -10.429 -1.929 1.00 0.00 C ATOM 1242 CG PRO A 84 -15.876 -10.726 -3.277 1.00 0.00 C ATOM 1243 CD PRO A 84 -15.017 -9.976 -4.257 1.00 0.00 C ATOM 0 HA PRO A 84 -13.334 -9.550 -1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.527 -11.234 -1.226 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.747 -9.519 -1.512 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.857 -11.797 -3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.916 -10.407 -3.346 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.927 -10.510 -5.203 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.430 -8.993 -4.483 1.00 0.00 H new ATOM 1251 N ALA A 85 -12.712 -11.803 -0.629 1.00 0.00 N ATOM 1252 CA ALA A 85 -12.018 -13.023 -0.236 1.00 0.00 C ATOM 1253 C ALA A 85 -10.838 -13.307 -1.160 1.00 0.00 C ATOM 1254 O ALA A 85 -10.594 -14.452 -1.539 1.00 0.00 O ATOM 1255 CB ALA A 85 -12.982 -14.200 -0.231 1.00 0.00 C ATOM 0 H ALA A 85 -12.875 -11.146 0.134 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.629 -12.881 0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.450 -15.105 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.789 -14.006 0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.398 -14.334 -1.229 1.00 0.00 H new ATOM 1261 N THR A 86 -10.109 -12.255 -1.521 1.00 0.00 N ATOM 1262 CA THR A 86 -8.956 -12.391 -2.402 1.00 0.00 C ATOM 1263 C THR A 86 -7.804 -11.506 -1.940 1.00 0.00 C ATOM 1264 O THR A 86 -7.916 -10.280 -1.927 1.00 0.00 O ATOM 1265 CB THR A 86 -9.315 -12.030 -3.856 1.00 0.00 C ATOM 1266 OG1 THR A 86 -10.319 -12.924 -4.349 1.00 0.00 O ATOM 1267 CG2 THR A 86 -8.086 -12.098 -4.749 1.00 0.00 C ATOM 0 H THR A 86 -10.297 -11.300 -1.217 1.00 0.00 H new ATOM 0 HA THR A 86 -8.647 -13.436 -2.360 1.00 0.00 H new ATOM 0 HB THR A 86 -9.699 -11.010 -3.870 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.156 -12.776 -3.862 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.364 -11.839 -5.771 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.335 -11.395 -4.388 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.677 -13.108 -4.729 1.00 0.00 H new ATOM 1275 N VAL A 87 -6.696 -12.135 -1.562 1.00 0.00 N ATOM 1276 CA VAL A 87 -5.521 -11.403 -1.101 1.00 0.00 C ATOM 1277 C VAL A 87 -4.970 -10.501 -2.199 1.00 0.00 C ATOM 1278 O VAL A 87 -4.979 -10.862 -3.377 1.00 0.00 O ATOM 1279 CB VAL A 87 -4.411 -12.363 -0.634 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -3.143 -11.590 -0.300 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -4.879 -13.177 0.562 1.00 0.00 C ATOM 0 H VAL A 87 -6.587 -13.149 -1.566 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.840 -10.790 -0.258 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.185 -13.053 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.369 -12.284 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.799 -11.055 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.351 -10.876 0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.082 -13.850 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.134 -12.505 1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.757 -13.760 0.284 1.00 0.00 H new ATOM 1291 N TYR A 88 -4.490 -9.327 -1.807 1.00 0.00 N ATOM 1292 CA TYR A 88 -3.935 -8.371 -2.758 1.00 0.00 C ATOM 1293 C TYR A 88 -2.722 -7.657 -2.169 1.00 0.00 C ATOM 1294 O TYR A 88 -2.751 -7.201 -1.026 1.00 0.00 O ATOM 1295 CB TYR A 88 -4.997 -7.347 -3.162 1.00 0.00 C ATOM 1296 CG TYR A 88 -5.983 -7.867 -4.184 1.00 0.00 C ATOM 1297 CD1 TYR A 88 -5.627 -7.993 -5.520 1.00 0.00 C ATOM 1298 CD2 TYR A 88 -7.270 -8.234 -3.811 1.00 0.00 C ATOM 1299 CE1 TYR A 88 -6.524 -8.468 -6.457 1.00 0.00 C ATOM 1300 CE2 TYR A 88 -8.174 -8.711 -4.741 1.00 0.00 C ATOM 1301 CZ TYR A 88 -7.797 -8.825 -6.063 1.00 0.00 C ATOM 1302 OH TYR A 88 -8.694 -9.299 -6.992 1.00 0.00 O ATOM 0 H TYR A 88 -4.474 -9.014 -0.836 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.615 -8.922 -3.643 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.542 -7.031 -2.272 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.502 -6.463 -3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.631 -7.715 -5.832 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.569 -8.145 -2.777 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.230 -8.559 -7.492 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.170 -8.993 -4.434 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.210 -9.761 -7.708 1.00 0.00 H new ATOM 1312 N ILE A 89 -1.658 -7.564 -2.959 1.00 0.00 N ATOM 1313 CA ILE A 89 -0.435 -6.905 -2.517 1.00 0.00 C ATOM 1314 C ILE A 89 -0.434 -5.431 -2.907 1.00 0.00 C ATOM 1315 O ILE A 89 -0.230 -5.086 -4.071 1.00 0.00 O ATOM 1316 CB ILE A 89 0.815 -7.582 -3.110 1.00 0.00 C ATOM 1317 CG1 ILE A 89 0.561 -9.076 -3.322 1.00 0.00 C ATOM 1318 CG2 ILE A 89 2.015 -7.368 -2.199 1.00 0.00 C ATOM 1319 CD1 ILE A 89 0.024 -9.778 -2.094 1.00 0.00 C ATOM 0 H ILE A 89 -1.618 -7.936 -3.908 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.404 -6.991 -1.431 1.00 0.00 H new ATOM 0 HB ILE A 89 1.031 -7.129 -4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.146 -9.203 -4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.492 -9.555 -3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.891 -7.852 -2.631 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.206 -6.300 -2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.809 -7.798 -1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.132 -10.833 -2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.740 -9.682 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.923 -9.325 -1.801 1.00 0.00 H new ATOM 1331 N PHE A 90 -0.661 -4.565 -1.926 1.00 0.00 N ATOM 1332 CA PHE A 90 -0.686 -3.126 -2.166 1.00 0.00 C ATOM 1333 C PHE A 90 0.685 -2.508 -1.906 1.00 0.00 C ATOM 1334 O PHE A 90 1.387 -2.899 -0.973 1.00 0.00 O ATOM 1335 CB PHE A 90 -1.736 -2.457 -1.277 1.00 0.00 C ATOM 1336 CG PHE A 90 -3.144 -2.874 -1.594 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -3.690 -4.012 -1.021 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -3.921 -2.130 -2.466 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -4.985 -4.398 -1.311 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -5.217 -2.511 -2.760 1.00 0.00 C ATOM 1341 CZ PHE A 90 -5.749 -3.647 -2.182 1.00 0.00 C ATOM 0 H PHE A 90 -0.830 -4.834 -0.957 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.947 -2.962 -3.211 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.522 -2.693 -0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.654 -1.375 -1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.097 -4.604 -0.340 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.510 -1.242 -2.922 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.399 -5.286 -0.857 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.813 -1.921 -3.441 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.761 -3.947 -2.411 1.00 0.00 H new ATOM 1351 N ARG A 91 1.059 -1.542 -2.738 1.00 0.00 N ATOM 1352 CA ARG A 91 2.346 -0.871 -2.600 1.00 0.00 C ATOM 1353 C ARG A 91 2.193 0.638 -2.772 1.00 0.00 C ATOM 1354 O ARG A 91 1.714 1.110 -3.803 1.00 0.00 O ATOM 1355 CB ARG A 91 3.341 -1.414 -3.627 1.00 0.00 C ATOM 1356 CG ARG A 91 3.943 -2.755 -3.241 1.00 0.00 C ATOM 1357 CD ARG A 91 5.040 -3.173 -4.209 1.00 0.00 C ATOM 1358 NE ARG A 91 5.870 -4.245 -3.667 1.00 0.00 N ATOM 1359 CZ ARG A 91 6.619 -5.045 -4.416 1.00 0.00 C ATOM 1360 NH1 ARG A 91 6.643 -4.895 -5.733 1.00 0.00 N ATOM 1361 NH2 ARG A 91 7.348 -5.998 -3.849 1.00 0.00 N ATOM 0 H ARG A 91 0.489 -1.206 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 91 2.725 -1.069 -1.597 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.839 -1.514 -4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.144 -0.689 -3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.350 -2.695 -2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.162 -3.515 -3.225 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.590 -3.501 -5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.666 -2.312 -4.441 1.00 0.00 H new ATOM 0 HE ARG A 91 5.875 -4.387 -2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.085 -4.163 -6.173 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.219 -5.511 -6.306 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.333 -6.117 -2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.923 -6.612 -4.426 1.00 0.00 H new ATOM 1375 N VAL A 92 2.604 1.389 -1.755 1.00 0.00 N ATOM 1376 CA VAL A 92 2.513 2.843 -1.794 1.00 0.00 C ATOM 1377 C VAL A 92 3.853 3.467 -2.167 1.00 0.00 C ATOM 1378 O VAL A 92 4.903 3.042 -1.685 1.00 0.00 O ATOM 1379 CB VAL A 92 2.053 3.413 -0.439 1.00 0.00 C ATOM 1380 CG1 VAL A 92 1.474 4.809 -0.615 1.00 0.00 C ATOM 1381 CG2 VAL A 92 1.040 2.485 0.213 1.00 0.00 C ATOM 0 H VAL A 92 3.003 1.014 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 92 1.774 3.094 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 92 2.920 3.486 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.155 5.195 0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.234 5.468 -1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.618 4.766 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.726 2.903 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.173 2.378 -0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.494 1.508 0.376 1.00 0.00 H new ATOM 1391 N MET A 93 3.810 4.479 -3.028 1.00 0.00 N ATOM 1392 CA MET A 93 5.021 5.163 -3.464 1.00 0.00 C ATOM 1393 C MET A 93 4.776 6.662 -3.612 1.00 0.00 C ATOM 1394 O MET A 93 3.697 7.086 -4.024 1.00 0.00 O ATOM 1395 CB MET A 93 5.511 4.582 -4.791 1.00 0.00 C ATOM 1396 CG MET A 93 6.770 5.250 -5.321 1.00 0.00 C ATOM 1397 SD MET A 93 7.641 4.234 -6.529 1.00 0.00 S ATOM 1398 CE MET A 93 6.295 3.775 -7.618 1.00 0.00 C ATOM 0 H MET A 93 2.949 4.843 -3.437 1.00 0.00 H new ATOM 0 HA MET A 93 5.787 5.011 -2.704 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.702 3.516 -4.663 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.719 4.677 -5.534 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.506 6.204 -5.778 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.438 5.470 -4.488 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.677 3.632 -8.629 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.843 2.848 -7.267 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.545 4.566 -7.622 1.00 0.00 H new ATOM 1408 N ALA A 94 5.784 7.458 -3.272 1.00 0.00 N ATOM 1409 CA ALA A 94 5.678 8.909 -3.369 1.00 0.00 C ATOM 1410 C ALA A 94 6.171 9.406 -4.723 1.00 0.00 C ATOM 1411 O ALA A 94 7.050 8.799 -5.335 1.00 0.00 O ATOM 1412 CB ALA A 94 6.460 9.571 -2.244 1.00 0.00 C ATOM 0 H ALA A 94 6.683 7.123 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 94 4.626 9.179 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.372 10.654 -2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.059 9.248 -1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.510 9.285 -2.313 1.00 0.00 H new ATOM 1418 N GLN A 95 5.600 10.513 -5.186 1.00 0.00 N ATOM 1419 CA GLN A 95 5.982 11.091 -6.469 1.00 0.00 C ATOM 1420 C GLN A 95 5.976 12.614 -6.404 1.00 0.00 C ATOM 1421 O GLN A 95 4.971 13.226 -6.043 1.00 0.00 O ATOM 1422 CB GLN A 95 5.034 10.612 -7.570 1.00 0.00 C ATOM 1423 CG GLN A 95 5.502 9.345 -8.267 1.00 0.00 C ATOM 1424 CD GLN A 95 4.350 8.492 -8.762 1.00 0.00 C ATOM 1425 OE1 GLN A 95 3.419 8.991 -9.394 1.00 0.00 O ATOM 1426 NE2 GLN A 95 4.408 7.196 -8.477 1.00 0.00 N ATOM 0 H GLN A 95 4.871 11.028 -4.692 1.00 0.00 H new ATOM 0 HA GLN A 95 6.994 10.760 -6.701 1.00 0.00 H new ATOM 0 HB2 GLN A 95 4.049 10.436 -7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.921 11.404 -8.311 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.139 9.613 -9.110 1.00 0.00 H new ATOM 0 HG3 GLN A 95 6.112 8.760 -7.579 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.199 6.824 -7.950 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.662 6.572 -8.785 1.00 0.00 H new ATOM 1435 N ASN A 96 7.105 13.221 -6.756 1.00 0.00 N ATOM 1436 CA ASN A 96 7.230 14.674 -6.736 1.00 0.00 C ATOM 1437 C ASN A 96 7.586 15.208 -8.121 1.00 0.00 C ATOM 1438 O ASN A 96 7.635 14.457 -9.095 1.00 0.00 O ATOM 1439 CB ASN A 96 8.294 15.102 -5.723 1.00 0.00 C ATOM 1440 CG ASN A 96 9.703 14.833 -6.216 1.00 0.00 C ATOM 1441 OD1 ASN A 96 10.419 15.753 -6.612 1.00 0.00 O ATOM 1442 ND2 ASN A 96 10.106 13.568 -6.195 1.00 0.00 N ATOM 0 H ASN A 96 7.946 12.729 -7.058 1.00 0.00 H new ATOM 0 HA ASN A 96 6.268 15.093 -6.440 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.183 16.165 -5.511 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.133 14.571 -4.785 1.00 0.00 H new ATOM 0 HD21 ASN A 96 11.044 13.326 -6.516 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.478 12.838 -5.858 1.00 0.00 H new ATOM 1449 N LYS A 97 7.834 16.511 -8.200 1.00 0.00 N ATOM 1450 CA LYS A 97 8.188 17.147 -9.463 1.00 0.00 C ATOM 1451 C LYS A 97 9.206 16.309 -10.229 1.00 0.00 C ATOM 1452 O LYS A 97 9.334 16.428 -11.448 1.00 0.00 O ATOM 1453 CB LYS A 97 8.750 18.548 -9.213 1.00 0.00 C ATOM 1454 CG LYS A 97 10.004 18.556 -8.355 1.00 0.00 C ATOM 1455 CD LYS A 97 10.290 19.941 -7.798 1.00 0.00 C ATOM 1456 CE LYS A 97 11.160 20.753 -8.745 1.00 0.00 C ATOM 1457 NZ LYS A 97 12.556 20.237 -8.795 1.00 0.00 N ATOM 0 H LYS A 97 7.796 17.147 -7.404 1.00 0.00 H new ATOM 0 HA LYS A 97 7.283 17.227 -10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.972 19.017 -10.171 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.985 19.156 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.888 17.849 -7.533 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.854 18.219 -8.948 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.351 20.466 -7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.787 19.851 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.728 20.729 -9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.169 21.795 -8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.187 20.979 -9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.859 19.963 -7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.597 19.408 -9.422 1.00 0.00 H new ATOM 1471 N HIS A 98 9.929 15.459 -9.506 1.00 0.00 N ATOM 1472 CA HIS A 98 10.935 14.598 -10.118 1.00 0.00 C ATOM 1473 C HIS A 98 10.281 13.416 -10.827 1.00 0.00 C ATOM 1474 O HIS A 98 10.310 13.322 -12.054 1.00 0.00 O ATOM 1475 CB HIS A 98 11.916 14.093 -9.060 1.00 0.00 C ATOM 1476 CG HIS A 98 12.556 15.189 -8.264 1.00 0.00 C ATOM 1477 ND1 HIS A 98 12.872 16.420 -8.797 1.00 0.00 N ATOM 1478 CD2 HIS A 98 12.937 15.233 -6.966 1.00 0.00 C ATOM 1479 CE1 HIS A 98 13.421 17.175 -7.862 1.00 0.00 C ATOM 1480 NE2 HIS A 98 13.472 16.478 -6.741 1.00 0.00 N ATOM 0 H HIS A 98 9.837 15.348 -8.496 1.00 0.00 H new ATOM 0 HA HIS A 98 11.479 15.186 -10.857 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.391 13.421 -8.381 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.695 13.508 -9.549 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.839 14.438 -6.242 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.769 18.189 -7.992 1.00 0.00 H new ATOM 0 HE2 HIS A 98 13.848 16.810 -5.853 1.00 0.00 H new ATOM 1489 N GLY A 99 9.690 12.516 -10.047 1.00 0.00 N ATOM 1490 CA GLY A 99 9.038 11.353 -10.618 1.00 0.00 C ATOM 1491 C GLY A 99 8.709 10.302 -9.576 1.00 0.00 C ATOM 1492 O GLY A 99 8.271 10.628 -8.473 1.00 0.00 O ATOM 0 H GLY A 99 9.651 12.572 -9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.121 11.664 -11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.684 10.916 -11.379 1.00 0.00 H new ATOM 1496 N SER A 100 8.920 9.037 -9.926 1.00 0.00 N ATOM 1497 CA SER A 100 8.638 7.935 -9.015 1.00 0.00 C ATOM 1498 C SER A 100 9.886 7.551 -8.224 1.00 0.00 C ATOM 1499 O SER A 100 10.884 7.111 -8.794 1.00 0.00 O ATOM 1500 CB SER A 100 8.119 6.723 -9.791 1.00 0.00 C ATOM 1501 OG SER A 100 7.061 7.089 -10.659 1.00 0.00 O ATOM 0 H SER A 100 9.285 8.750 -10.834 1.00 0.00 H new ATOM 0 HA SER A 100 7.871 8.263 -8.314 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.931 6.282 -10.368 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.774 5.961 -9.093 1.00 0.00 H new ATOM 0 HG SER A 100 6.748 6.298 -11.145 1.00 0.00 H new ATOM 1507 N GLY A 101 9.820 7.721 -6.907 1.00 0.00 N ATOM 1508 CA GLY A 101 10.950 7.388 -6.059 1.00 0.00 C ATOM 1509 C GLY A 101 11.060 5.898 -5.800 1.00 0.00 C ATOM 1510 O GLY A 101 11.344 5.123 -6.711 1.00 0.00 O ATOM 0 H GLY A 101 9.005 8.083 -6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.869 7.741 -6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.855 7.913 -5.109 1.00 0.00 H new ATOM 1514 N GLU A 102 10.837 5.499 -4.551 1.00 0.00 N ATOM 1515 CA GLU A 102 10.916 4.092 -4.175 1.00 0.00 C ATOM 1516 C GLU A 102 9.539 3.550 -3.806 1.00 0.00 C ATOM 1517 O GLU A 102 8.733 4.243 -3.185 1.00 0.00 O ATOM 1518 CB GLU A 102 11.880 3.909 -3.000 1.00 0.00 C ATOM 1519 CG GLU A 102 12.182 2.455 -2.681 1.00 0.00 C ATOM 1520 CD GLU A 102 13.171 1.838 -3.651 1.00 0.00 C ATOM 1521 OE1 GLU A 102 14.331 2.297 -3.688 1.00 0.00 O ATOM 1522 OE2 GLU A 102 12.784 0.895 -4.373 1.00 0.00 O ATOM 0 H GLU A 102 10.601 6.129 -3.784 1.00 0.00 H new ATOM 0 HA GLU A 102 11.290 3.533 -5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.814 4.425 -3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.456 4.386 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.579 2.384 -1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.255 1.883 -2.700 1.00 0.00 H new ATOM 1529 N SER A 103 9.276 2.305 -4.193 1.00 0.00 N ATOM 1530 CA SER A 103 7.995 1.670 -3.907 1.00 0.00 C ATOM 1531 C SER A 103 7.998 1.042 -2.516 1.00 0.00 C ATOM 1532 O SER A 103 8.781 0.135 -2.235 1.00 0.00 O ATOM 1533 CB SER A 103 7.684 0.605 -4.960 1.00 0.00 C ATOM 1534 OG SER A 103 8.524 -0.526 -4.804 1.00 0.00 O ATOM 0 H SER A 103 9.933 1.717 -4.705 1.00 0.00 H new ATOM 0 HA SER A 103 7.222 2.438 -3.938 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.640 0.301 -4.878 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.816 1.025 -5.957 1.00 0.00 H new ATOM 0 HG SER A 103 8.978 -0.479 -3.937 1.00 0.00 H new ATOM 1540 N SER A 104 7.116 1.532 -1.651 1.00 0.00 N ATOM 1541 CA SER A 104 7.019 1.023 -0.288 1.00 0.00 C ATOM 1542 C SER A 104 6.936 -0.500 -0.282 1.00 0.00 C ATOM 1543 O SER A 104 6.814 -1.130 -1.332 1.00 0.00 O ATOM 1544 CB SER A 104 5.795 1.614 0.414 1.00 0.00 C ATOM 1545 OG SER A 104 4.594 1.144 -0.173 1.00 0.00 O ATOM 0 H SER A 104 6.459 2.281 -1.870 1.00 0.00 H new ATOM 0 HA SER A 104 7.918 1.323 0.250 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.815 1.349 1.471 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.830 2.702 0.358 1.00 0.00 H new ATOM 0 HG SER A 104 4.603 1.336 -1.134 1.00 0.00 H new ATOM 1551 N ALA A 105 7.003 -1.086 0.909 1.00 0.00 N ATOM 1552 CA ALA A 105 6.933 -2.535 1.053 1.00 0.00 C ATOM 1553 C ALA A 105 5.566 -3.063 0.634 1.00 0.00 C ATOM 1554 O ALA A 105 4.541 -2.400 0.794 1.00 0.00 O ATOM 1555 CB ALA A 105 7.240 -2.937 2.488 1.00 0.00 C ATOM 0 H ALA A 105 7.106 -0.579 1.788 1.00 0.00 H new ATOM 0 HA ALA A 105 7.681 -2.978 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.184 -4.022 2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.242 -2.601 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.514 -2.477 3.158 1.00 0.00 H new ATOM 1561 N PRO A 106 5.547 -4.286 0.083 1.00 0.00 N ATOM 1562 CA PRO A 106 4.311 -4.930 -0.371 1.00 0.00 C ATOM 1563 C PRO A 106 3.407 -5.332 0.789 1.00 0.00 C ATOM 1564 O PRO A 106 3.690 -6.291 1.508 1.00 0.00 O ATOM 1565 CB PRO A 106 4.810 -6.172 -1.114 1.00 0.00 C ATOM 1566 CG PRO A 106 6.140 -6.466 -0.509 1.00 0.00 C ATOM 1567 CD PRO A 106 6.730 -5.134 -0.138 1.00 0.00 C ATOM 0 HA PRO A 106 3.706 -4.263 -0.985 1.00 0.00 H new ATOM 0 HB2 PRO A 106 4.124 -7.010 -0.989 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.894 -5.986 -2.185 1.00 0.00 H new ATOM 0 HG2 PRO A 106 6.037 -7.105 0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.781 -6.994 -1.215 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.347 -5.204 0.758 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.364 -4.740 -0.932 1.00 0.00 H new ATOM 1575 N LEU A 107 2.317 -4.593 0.967 1.00 0.00 N ATOM 1576 CA LEU A 107 1.370 -4.873 2.041 1.00 0.00 C ATOM 1577 C LEU A 107 0.360 -5.933 1.613 1.00 0.00 C ATOM 1578 O LEU A 107 -0.240 -5.838 0.543 1.00 0.00 O ATOM 1579 CB LEU A 107 0.639 -3.592 2.449 1.00 0.00 C ATOM 1580 CG LEU A 107 -0.506 -3.762 3.448 1.00 0.00 C ATOM 1581 CD1 LEU A 107 0.032 -4.150 4.816 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.329 -2.485 3.538 1.00 0.00 C ATOM 0 H LEU A 107 2.067 -3.796 0.382 1.00 0.00 H new ATOM 0 HA LEU A 107 1.929 -5.254 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.367 -2.902 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.243 -3.121 1.549 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.154 -4.564 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.797 -4.266 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.577 -5.091 4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.703 -3.371 5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.139 -2.624 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.692 -1.664 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.746 -2.251 2.558 1.00 0.00 H new ATOM 1594 N ARG A 108 0.177 -6.943 2.458 1.00 0.00 N ATOM 1595 CA ARG A 108 -0.760 -8.021 2.169 1.00 0.00 C ATOM 1596 C ARG A 108 -2.123 -7.739 2.795 1.00 0.00 C ATOM 1597 O ARG A 108 -2.237 -7.565 4.008 1.00 0.00 O ATOM 1598 CB ARG A 108 -0.215 -9.353 2.687 1.00 0.00 C ATOM 1599 CG ARG A 108 -1.112 -10.540 2.379 1.00 0.00 C ATOM 1600 CD ARG A 108 -0.352 -11.854 2.477 1.00 0.00 C ATOM 1601 NE ARG A 108 -0.346 -12.381 3.839 1.00 0.00 N ATOM 1602 CZ ARG A 108 -1.348 -13.079 4.361 1.00 0.00 C ATOM 1603 NH1 ARG A 108 -2.431 -13.333 3.639 1.00 0.00 N ATOM 1604 NH2 ARG A 108 -1.268 -13.526 5.608 1.00 0.00 N ATOM 0 H ARG A 108 0.666 -7.037 3.348 1.00 0.00 H new ATOM 0 HA ARG A 108 -0.881 -8.082 1.088 1.00 0.00 H new ATOM 0 HB2 ARG A 108 0.768 -9.528 2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.076 -9.284 3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.952 -10.552 3.073 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.528 -10.433 1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -0.804 -12.585 1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 108 0.674 -11.705 2.141 1.00 0.00 H new ATOM 0 HE ARG A 108 0.472 -12.203 4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -2.496 -12.992 2.680 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -3.199 -13.869 4.043 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -0.436 -13.334 6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.038 -14.062 6.008 1.00 0.00 H new ATOM 1618 N VAL A 109 -3.155 -7.695 1.958 1.00 0.00 N ATOM 1619 CA VAL A 109 -4.510 -7.435 2.429 1.00 0.00 C ATOM 1620 C VAL A 109 -5.498 -8.435 1.840 1.00 0.00 C ATOM 1621 O VAL A 109 -5.469 -8.719 0.643 1.00 0.00 O ATOM 1622 CB VAL A 109 -4.966 -6.008 2.068 1.00 0.00 C ATOM 1623 CG1 VAL A 109 -6.375 -5.751 2.580 1.00 0.00 C ATOM 1624 CG2 VAL A 109 -3.992 -4.981 2.626 1.00 0.00 C ATOM 0 H VAL A 109 -3.078 -7.836 0.951 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.493 -7.540 3.514 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.977 -5.913 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.679 -4.738 2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.062 -6.466 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.395 -5.864 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.329 -3.979 2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.947 -5.074 3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.001 -5.153 2.205 1.00 0.00 H new ATOM 1634 N GLU A 110 -6.372 -8.966 2.689 1.00 0.00 N ATOM 1635 CA GLU A 110 -7.369 -9.936 2.252 1.00 0.00 C ATOM 1636 C GLU A 110 -8.781 -9.398 2.465 1.00 0.00 C ATOM 1637 O GLU A 110 -9.202 -9.153 3.596 1.00 0.00 O ATOM 1638 CB GLU A 110 -7.195 -11.256 3.008 1.00 0.00 C ATOM 1639 CG GLU A 110 -8.093 -12.371 2.500 1.00 0.00 C ATOM 1640 CD GLU A 110 -8.012 -13.621 3.354 1.00 0.00 C ATOM 1641 OE1 GLU A 110 -8.707 -13.679 4.390 1.00 0.00 O ATOM 1642 OE2 GLU A 110 -7.251 -14.541 2.987 1.00 0.00 O ATOM 0 H GLU A 110 -6.410 -8.741 3.683 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.223 -10.114 1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.155 -11.575 2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.400 -11.089 4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.124 -12.019 2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.816 -12.617 1.475 1.00 0.00 H new ATOM 1649 N THR A 111 -9.510 -9.216 1.368 1.00 0.00 N ATOM 1650 CA THR A 111 -10.874 -8.705 1.433 1.00 0.00 C ATOM 1651 C THR A 111 -11.772 -9.637 2.239 1.00 0.00 C ATOM 1652 O THR A 111 -11.312 -10.643 2.778 1.00 0.00 O ATOM 1653 CB THR A 111 -11.473 -8.524 0.025 1.00 0.00 C ATOM 1654 OG1 THR A 111 -11.087 -9.617 -0.816 1.00 0.00 O ATOM 1655 CG2 THR A 111 -11.013 -7.214 -0.594 1.00 0.00 C ATOM 0 H THR A 111 -9.179 -9.415 0.424 1.00 0.00 H new ATOM 0 HA THR A 111 -10.825 -7.735 1.927 1.00 0.00 H new ATOM 0 HB THR A 111 -12.559 -8.503 0.116 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.227 -9.373 -1.755 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.449 -7.108 -1.588 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.334 -6.383 0.033 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.926 -7.211 -0.672 1.00 0.00 H new ATOM 1663 N GLN A 112 -13.054 -9.295 2.316 1.00 0.00 N ATOM 1664 CA GLN A 112 -14.016 -10.101 3.058 1.00 0.00 C ATOM 1665 C GLN A 112 -14.949 -10.845 2.108 1.00 0.00 C ATOM 1666 O GLN A 112 -15.333 -10.340 1.053 1.00 0.00 O ATOM 1667 CB GLN A 112 -14.830 -9.219 4.005 1.00 0.00 C ATOM 1668 CG GLN A 112 -14.091 -7.972 4.462 1.00 0.00 C ATOM 1669 CD GLN A 112 -12.900 -8.291 5.346 1.00 0.00 C ATOM 1670 OE1 GLN A 112 -12.350 -9.390 5.292 1.00 0.00 O ATOM 1671 NE2 GLN A 112 -12.497 -7.327 6.165 1.00 0.00 N ATOM 0 H GLN A 112 -13.450 -8.466 1.874 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.462 -10.835 3.644 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.753 -8.922 3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -15.113 -9.804 4.880 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.752 -7.415 3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -14.779 -7.325 5.006 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.984 -6.431 6.176 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.701 -7.483 6.783 1.00 0.00 H new ATOM 1680 N PRO A 113 -15.323 -12.076 2.489 1.00 0.00 N ATOM 1681 CA PRO A 113 -16.215 -12.916 1.685 1.00 0.00 C ATOM 1682 C PRO A 113 -17.644 -12.384 1.658 1.00 0.00 C ATOM 1683 O PRO A 113 -18.410 -12.590 2.599 1.00 0.00 O ATOM 1684 CB PRO A 113 -16.163 -14.271 2.395 1.00 0.00 C ATOM 1685 CG PRO A 113 -15.801 -13.947 3.803 1.00 0.00 C ATOM 1686 CD PRO A 113 -14.903 -12.742 3.733 1.00 0.00 C ATOM 0 HA PRO A 113 -15.906 -12.955 0.640 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.124 -14.783 2.341 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.424 -14.929 1.938 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.691 -13.737 4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.292 -14.786 4.278 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -15.032 -12.094 4.599 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.851 -13.026 3.702 1.00 0.00 H new