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= -4.64! K(o=-6.2!,f=-0.39) USER MOD Set 1.2: A 97 LYS NZ :NH3+ -137:sc=-0.00542 (180deg=-0.00276) USER MOD Set 1.3: A 98 HIS : no HD1:sc= -1.55 K(o=-6.2,f=-0.39) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -174:sc= 0.25 (180deg=0) USER MOD Set 2.2: A 78 THR OG1 : rot 67:sc= -0.611 USER MOD Set 3.1: A 53 SER OG : rot -150:sc= 0.278 USER MOD Set 3.2: A 68 ASN : amide:sc= 0 K(o=-0.8,f=-0.11) USER MOD Set 3.3: A 95 GLN : amide:sc= -1.08 K(o=-0.8,f=-0.11) USER MOD Set 4.1: A 52 TYR OH : rot 34:sc= -0.161 USER MOD Set 4.2: A 75 MET CE :methyl -174:sc= -2.29! (180deg=-2.34!) 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 161:sc= 0.995! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0439 USER MOD Single : A 40 THR OG1 : rot 177:sc= 0.101 USER MOD Single : A 43 SER OG : rot 120:sc=-0.000101 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= 0.422 X(o=0.42,f=-0.0045) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 2:sc= 0.00509 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0869 USER MOD Single : A 58 LYS NZ :NH3+ 153:sc= -0.309 (180deg=-1.15!) USER MOD Single : A 69 THR OG1 : rot 74:sc= 1.12 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.577 X(o=-0.58,f=-0.12) USER MOD Single : A 76 GLN : amide:sc= -3.92! C(o=-3.9!,f=-12!) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 81 ASN : amide:sc= -1.52! X(o=-1.5!,f=-1.1) USER MOD Single : A 83 MET CE :methyl 152:sc= -0.216 (180deg=-0.82) USER MOD Single : A 86 THR OG1 : rot 71:sc= 0.214 USER MOD Single : A 88 TYR OH : rot 30:sc= -0.0106 USER MOD Single : A 93 MET CE :methyl 151:sc= -0.764 (180deg=-1.92) USER MOD Single : A 100 SER OG : rot 25:sc= 0.641 USER MOD Single : A 103 SER OG : rot 21:sc= 0.784 USER MOD Single : A 104 SER OG : rot -64:sc= 0.545 USER MOD Single : A 111 THR OG1 : rot -169:sc= 1.85 USER MOD Single : A 112 GLN : amide:sc=-0.000447 K(o=-0.00045,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 182 N LEU A 17 15.729 11.204 -5.817 1.00 0.00 N ATOM 183 CA LEU A 17 14.322 10.851 -5.657 1.00 0.00 C ATOM 184 C LEU A 17 13.977 10.646 -4.185 1.00 0.00 C ATOM 185 O LEU A 17 14.833 10.324 -3.360 1.00 0.00 O ATOM 186 CB LEU A 17 14.002 9.582 -6.449 1.00 0.00 C ATOM 187 CG LEU A 17 13.856 9.754 -7.961 1.00 0.00 C ATOM 188 CD1 LEU A 17 14.044 8.422 -8.670 1.00 0.00 C ATOM 189 CD2 LEU A 17 12.500 10.354 -8.301 1.00 0.00 C ATOM 0 HA LEU A 17 13.719 11.674 -6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.789 8.852 -6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.076 9.159 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 17 14.631 10.439 -8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.937 8.564 -9.745 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.038 8.031 -8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.292 7.714 -8.321 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.414 10.469 -9.381 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.710 9.694 -7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.403 11.329 -7.823 1.00 0.00 H new ATOM 201 N PRO A 18 12.693 10.834 -3.846 1.00 0.00 N ATOM 202 CA PRO A 18 12.205 10.673 -2.474 1.00 0.00 C ATOM 203 C PRO A 18 12.212 9.216 -2.023 1.00 0.00 C ATOM 204 O PRO A 18 12.817 8.360 -2.668 1.00 0.00 O ATOM 205 CB PRO A 18 10.771 11.205 -2.543 1.00 0.00 C ATOM 206 CG PRO A 18 10.368 11.025 -3.966 1.00 0.00 C ATOM 207 CD PRO A 18 11.619 11.219 -4.778 1.00 0.00 C ATOM 0 HA PRO A 18 12.834 11.196 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.112 10.654 -1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.723 12.253 -2.248 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.946 10.033 -4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.603 11.748 -4.249 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.619 10.595 -5.671 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.726 12.251 -5.111 1.00 0.00 H new ATOM 215 N SER A 19 11.534 8.942 -0.913 1.00 0.00 N ATOM 216 CA SER A 19 11.465 7.588 -0.375 1.00 0.00 C ATOM 217 C SER A 19 10.027 7.213 -0.032 1.00 0.00 C ATOM 218 O SER A 19 9.290 8.005 0.554 1.00 0.00 O ATOM 219 CB SER A 19 12.347 7.466 0.869 1.00 0.00 C ATOM 220 OG SER A 19 12.496 6.112 1.258 1.00 0.00 O ATOM 0 H SER A 19 11.025 9.639 -0.369 1.00 0.00 H new ATOM 0 HA SER A 19 11.829 6.900 -1.138 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.327 7.900 0.668 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.908 8.036 1.687 1.00 0.00 H new ATOM 0 HG SER A 19 13.065 6.061 2.054 1.00 0.00 H new ATOM 226 N ALA A 20 9.635 5.998 -0.401 1.00 0.00 N ATOM 227 CA ALA A 20 8.286 5.515 -0.131 1.00 0.00 C ATOM 228 C ALA A 20 7.835 5.902 1.273 1.00 0.00 C ATOM 229 O ALA A 20 8.645 6.103 2.178 1.00 0.00 O ATOM 230 CB ALA A 20 8.220 4.006 -0.311 1.00 0.00 C ATOM 0 H ALA A 20 10.233 5.330 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 20 7.609 5.985 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.207 3.659 -0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.491 3.750 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.914 3.527 0.379 1.00 0.00 H new ATOM 236 N PRO A 21 6.512 6.012 1.461 1.00 0.00 N ATOM 237 CA PRO A 21 5.923 6.376 2.753 1.00 0.00 C ATOM 238 C PRO A 21 6.079 5.272 3.793 1.00 0.00 C ATOM 239 O PRO A 21 6.556 4.180 3.486 1.00 0.00 O ATOM 240 CB PRO A 21 4.445 6.593 2.421 1.00 0.00 C ATOM 241 CG PRO A 21 4.203 5.763 1.208 1.00 0.00 C ATOM 242 CD PRO A 21 5.488 5.787 0.427 1.00 0.00 C ATOM 0 HA PRO A 21 6.408 7.249 3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.804 6.283 3.247 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.233 7.645 2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.931 4.743 1.481 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.380 6.165 0.618 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.653 4.850 -0.104 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.490 6.581 -0.320 1.00 0.00 H new ATOM 250 N ARG A 22 5.673 5.564 5.025 1.00 0.00 N ATOM 251 CA ARG A 22 5.769 4.596 6.110 1.00 0.00 C ATOM 252 C ARG A 22 4.395 4.315 6.711 1.00 0.00 C ATOM 253 O ARG A 22 3.381 4.825 6.233 1.00 0.00 O ATOM 254 CB ARG A 22 6.718 5.107 7.196 1.00 0.00 C ATOM 255 CG ARG A 22 7.957 5.795 6.648 1.00 0.00 C ATOM 256 CD ARG A 22 9.072 4.798 6.373 1.00 0.00 C ATOM 257 NE ARG A 22 8.707 3.842 5.331 1.00 0.00 N ATOM 258 CZ ARG A 22 9.390 2.729 5.083 1.00 0.00 C ATOM 259 NH1 ARG A 22 10.467 2.435 5.798 1.00 0.00 N ATOM 260 NH2 ARG A 22 8.995 1.909 4.118 1.00 0.00 N ATOM 0 H ARG A 22 5.275 6.463 5.296 1.00 0.00 H new ATOM 0 HA ARG A 22 6.164 3.667 5.700 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.180 5.804 7.838 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.025 4.269 7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.705 6.323 5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.304 6.543 7.360 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.972 5.335 6.073 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.312 4.260 7.290 1.00 0.00 H new ATOM 0 HE ARG A 22 7.883 4.039 4.763 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.773 3.064 6.541 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.989 1.580 5.606 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.167 2.133 3.566 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.519 1.055 3.928 1.00 0.00 H new ATOM 274 N ASP A 23 4.369 3.501 7.761 1.00 0.00 N ATOM 275 CA ASP A 23 3.119 3.153 8.428 1.00 0.00 C ATOM 276 C ASP A 23 2.043 2.791 7.410 1.00 0.00 C ATOM 277 O ASP A 23 0.889 3.203 7.537 1.00 0.00 O ATOM 278 CB ASP A 23 2.642 4.314 9.302 1.00 0.00 C ATOM 279 CG ASP A 23 3.442 4.441 10.583 1.00 0.00 C ATOM 280 OD1 ASP A 23 4.677 4.609 10.497 1.00 0.00 O ATOM 281 OD2 ASP A 23 2.834 4.372 11.672 1.00 0.00 O ATOM 0 H ASP A 23 5.199 3.070 8.169 1.00 0.00 H new ATOM 0 HA ASP A 23 3.303 2.284 9.060 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.715 5.244 8.738 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.589 4.172 9.547 1.00 0.00 H new ATOM 286 N VAL A 24 2.427 2.018 6.399 1.00 0.00 N ATOM 287 CA VAL A 24 1.495 1.600 5.358 1.00 0.00 C ATOM 288 C VAL A 24 0.557 0.511 5.866 1.00 0.00 C ATOM 289 O VAL A 24 0.956 -0.643 6.025 1.00 0.00 O ATOM 290 CB VAL A 24 2.239 1.082 4.113 1.00 0.00 C ATOM 291 CG1 VAL A 24 1.258 0.495 3.110 1.00 0.00 C ATOM 292 CG2 VAL A 24 3.058 2.197 3.480 1.00 0.00 C ATOM 0 H VAL A 24 3.378 1.668 6.279 1.00 0.00 H new ATOM 0 HA VAL A 24 0.912 2.479 5.083 1.00 0.00 H new ATOM 0 HB VAL A 24 2.922 0.291 4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.802 0.134 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.720 -0.334 3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.548 1.263 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.577 1.813 2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.397 3.011 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.788 2.566 4.200 1.00 0.00 H new ATOM 302 N VAL A 25 -0.693 0.885 6.120 1.00 0.00 N ATOM 303 CA VAL A 25 -1.690 -0.060 6.609 1.00 0.00 C ATOM 304 C VAL A 25 -3.037 0.164 5.933 1.00 0.00 C ATOM 305 O VAL A 25 -3.217 1.127 5.188 1.00 0.00 O ATOM 306 CB VAL A 25 -1.868 0.052 8.135 1.00 0.00 C ATOM 307 CG1 VAL A 25 -0.520 -0.006 8.836 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.609 1.332 8.492 1.00 0.00 C ATOM 0 H VAL A 25 -1.039 1.836 5.995 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.327 -1.058 6.366 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.465 -0.794 8.477 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.666 0.075 9.913 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.031 -0.953 8.606 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.105 0.818 8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.726 1.395 9.574 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.041 2.192 8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.592 1.327 8.020 1.00 0.00 H new ATOM 318 N ALA A 26 -3.982 -0.733 6.197 1.00 0.00 N ATOM 319 CA ALA A 26 -5.315 -0.632 5.617 1.00 0.00 C ATOM 320 C ALA A 26 -6.332 -0.165 6.653 1.00 0.00 C ATOM 321 O ALA A 26 -6.746 -0.934 7.520 1.00 0.00 O ATOM 322 CB ALA A 26 -5.736 -1.970 5.026 1.00 0.00 C ATOM 0 H ALA A 26 -3.848 -1.538 6.809 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.282 0.111 4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.734 -1.880 4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.031 -2.262 4.248 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.746 -2.727 5.810 1.00 0.00 H new ATOM 328 N SER A 27 -6.730 1.099 6.557 1.00 0.00 N ATOM 329 CA SER A 27 -7.695 1.669 7.490 1.00 0.00 C ATOM 330 C SER A 27 -8.985 0.854 7.503 1.00 0.00 C ATOM 331 O SER A 27 -9.680 0.786 8.517 1.00 0.00 O ATOM 332 CB SER A 27 -8.000 3.121 7.116 1.00 0.00 C ATOM 333 OG SER A 27 -9.239 3.539 7.664 1.00 0.00 O ATOM 0 H SER A 27 -6.399 1.748 5.843 1.00 0.00 H new ATOM 0 HA SER A 27 -7.258 1.642 8.488 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.202 3.769 7.478 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.026 3.223 6.031 1.00 0.00 H new ATOM 0 HG SER A 27 -9.410 4.470 7.412 1.00 0.00 H new ATOM 339 N LEU A 28 -9.298 0.236 6.369 1.00 0.00 N ATOM 340 CA LEU A 28 -10.504 -0.575 6.248 1.00 0.00 C ATOM 341 C LEU A 28 -10.394 -1.543 5.074 1.00 0.00 C ATOM 342 O LEU A 28 -9.698 -1.272 4.096 1.00 0.00 O ATOM 343 CB LEU A 28 -11.731 0.321 6.072 1.00 0.00 C ATOM 344 CG LEU A 28 -12.968 -0.345 5.468 1.00 0.00 C ATOM 345 CD1 LEU A 28 -14.223 0.433 5.831 1.00 0.00 C ATOM 346 CD2 LEU A 28 -12.828 -0.459 3.957 1.00 0.00 C ATOM 0 H LEU A 28 -8.733 0.281 5.521 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.615 -1.155 7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.001 0.728 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.452 1.165 5.440 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.055 -1.350 5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.093 -0.055 5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.331 0.463 6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.145 1.450 5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.717 -0.935 3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.716 0.536 3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.950 -1.059 3.717 1.00 0.00 H new ATOM 358 N VAL A 29 -11.088 -2.672 5.177 1.00 0.00 N ATOM 359 CA VAL A 29 -11.071 -3.679 4.123 1.00 0.00 C ATOM 360 C VAL A 29 -12.483 -3.999 3.646 1.00 0.00 C ATOM 361 O VAL A 29 -13.220 -4.734 4.303 1.00 0.00 O ATOM 362 CB VAL A 29 -10.395 -4.978 4.598 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.595 -6.089 3.578 1.00 0.00 C ATOM 364 CG2 VAL A 29 -8.915 -4.743 4.859 1.00 0.00 C ATOM 0 H VAL A 29 -11.669 -2.912 5.980 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.497 -3.261 3.296 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.861 -5.288 5.533 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.110 -6.999 3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.661 -6.274 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.157 -5.791 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.453 -5.672 5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.432 -4.408 3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.798 -3.981 5.629 1.00 0.00 H new ATOM 374 N SER A 30 -12.855 -3.442 2.498 1.00 0.00 N ATOM 375 CA SER A 30 -14.181 -3.665 1.933 1.00 0.00 C ATOM 376 C SER A 30 -14.194 -4.913 1.055 1.00 0.00 C ATOM 377 O SER A 30 -13.158 -5.339 0.544 1.00 0.00 O ATOM 378 CB SER A 30 -14.622 -2.449 1.118 1.00 0.00 C ATOM 379 OG SER A 30 -15.547 -2.819 0.109 1.00 0.00 O ATOM 0 H SER A 30 -12.256 -2.833 1.940 1.00 0.00 H new ATOM 0 HA SER A 30 -14.880 -3.814 2.756 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.076 -1.710 1.778 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.751 -1.978 0.662 1.00 0.00 H new ATOM 0 HG SER A 30 -16.035 -2.025 -0.194 1.00 0.00 H new ATOM 385 N THR A 31 -15.377 -5.496 0.884 1.00 0.00 N ATOM 386 CA THR A 31 -15.527 -6.695 0.069 1.00 0.00 C ATOM 387 C THR A 31 -15.311 -6.387 -1.408 1.00 0.00 C ATOM 388 O THR A 31 -15.011 -7.279 -2.201 1.00 0.00 O ATOM 389 CB THR A 31 -16.920 -7.327 0.252 1.00 0.00 C ATOM 390 OG1 THR A 31 -17.938 -6.354 -0.008 1.00 0.00 O ATOM 391 CG2 THR A 31 -17.084 -7.876 1.661 1.00 0.00 C ATOM 0 H THR A 31 -16.245 -5.157 1.299 1.00 0.00 H new ATOM 0 HA THR A 31 -14.768 -7.402 0.404 1.00 0.00 H new ATOM 0 HB THR A 31 -17.017 -8.151 -0.455 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.820 -6.764 0.109 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.075 -8.317 1.767 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.326 -8.638 1.845 1.00 0.00 H new ATOM 0 HG23 THR A 31 -16.968 -7.067 2.382 1.00 0.00 H new ATOM 399 N ARG A 32 -15.465 -5.118 -1.772 1.00 0.00 N ATOM 400 CA ARG A 32 -15.287 -4.692 -3.155 1.00 0.00 C ATOM 401 C ARG A 32 -14.146 -3.687 -3.272 1.00 0.00 C ATOM 402 O ARG A 32 -13.799 -3.250 -4.369 1.00 0.00 O ATOM 403 CB ARG A 32 -16.581 -4.076 -3.692 1.00 0.00 C ATOM 404 CG ARG A 32 -17.694 -5.089 -3.907 1.00 0.00 C ATOM 405 CD ARG A 32 -18.895 -4.458 -4.594 1.00 0.00 C ATOM 406 NE ARG A 32 -18.564 -3.964 -5.928 1.00 0.00 N ATOM 407 CZ ARG A 32 -18.068 -2.754 -6.161 1.00 0.00 C ATOM 408 NH1 ARG A 32 -17.845 -1.920 -5.155 1.00 0.00 N ATOM 409 NH2 ARG A 32 -17.793 -2.376 -7.403 1.00 0.00 N ATOM 0 H ARG A 32 -15.713 -4.367 -1.128 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.037 -5.570 -3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.926 -3.312 -2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.370 -3.574 -4.637 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.322 -5.918 -4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.999 -5.505 -2.947 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.698 -5.192 -4.668 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.270 -3.635 -3.985 1.00 0.00 H new ATOM 0 HE ARG A 32 -18.722 -4.582 -6.724 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -18.054 -2.207 -4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.464 -0.992 -5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -17.963 -3.015 -8.180 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -17.412 -1.447 -7.581 1.00 0.00 H new ATOM 423 N PHE A 33 -13.566 -3.322 -2.133 1.00 0.00 N ATOM 424 CA PHE A 33 -12.465 -2.367 -2.107 1.00 0.00 C ATOM 425 C PHE A 33 -11.694 -2.460 -0.793 1.00 0.00 C ATOM 426 O PHE A 33 -12.024 -3.268 0.076 1.00 0.00 O ATOM 427 CB PHE A 33 -12.991 -0.944 -2.302 1.00 0.00 C ATOM 428 CG PHE A 33 -13.519 -0.321 -1.040 1.00 0.00 C ATOM 429 CD1 PHE A 33 -12.666 0.332 -0.166 1.00 0.00 C ATOM 430 CD2 PHE A 33 -14.867 -0.391 -0.729 1.00 0.00 C ATOM 431 CE1 PHE A 33 -13.148 0.906 0.996 1.00 0.00 C ATOM 432 CE2 PHE A 33 -15.355 0.181 0.431 1.00 0.00 C ATOM 433 CZ PHE A 33 -14.494 0.830 1.295 1.00 0.00 C ATOM 0 H PHE A 33 -13.841 -3.674 -1.216 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.787 -2.612 -2.924 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.190 -0.320 -2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.784 -0.958 -3.050 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.612 0.394 -0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.544 -0.898 -1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.473 1.413 1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.408 0.121 0.662 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.873 1.277 2.202 1.00 0.00 H new ATOM 443 N ILE A 34 -10.667 -1.629 -0.656 1.00 0.00 N ATOM 444 CA ILE A 34 -9.849 -1.618 0.551 1.00 0.00 C ATOM 445 C ILE A 34 -9.297 -0.224 0.827 1.00 0.00 C ATOM 446 O ILE A 34 -8.649 0.380 -0.028 1.00 0.00 O ATOM 447 CB ILE A 34 -8.677 -2.611 0.447 1.00 0.00 C ATOM 448 CG1 ILE A 34 -9.194 -4.010 0.102 1.00 0.00 C ATOM 449 CG2 ILE A 34 -7.889 -2.638 1.747 1.00 0.00 C ATOM 450 CD1 ILE A 34 -8.098 -4.988 -0.257 1.00 0.00 C ATOM 0 H ILE A 34 -10.381 -0.954 -1.366 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.497 -1.920 1.374 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.012 -2.283 -0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.755 -4.401 0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.891 -3.935 -0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.064 -3.345 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.494 -1.643 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.543 -2.945 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.538 -5.958 -0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.552 -4.620 -1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.413 -5.092 0.585 1.00 0.00 H new ATOM 462 N LYS A 35 -9.555 0.282 2.028 1.00 0.00 N ATOM 463 CA LYS A 35 -9.081 1.604 2.420 1.00 0.00 C ATOM 464 C LYS A 35 -7.645 1.538 2.930 1.00 0.00 C ATOM 465 O LYS A 35 -7.344 0.810 3.877 1.00 0.00 O ATOM 466 CB LYS A 35 -9.990 2.194 3.501 1.00 0.00 C ATOM 467 CG LYS A 35 -9.853 3.699 3.655 1.00 0.00 C ATOM 468 CD LYS A 35 -10.756 4.444 2.686 1.00 0.00 C ATOM 469 CE LYS A 35 -10.551 5.948 2.777 1.00 0.00 C ATOM 470 NZ LYS A 35 -11.711 6.700 2.224 1.00 0.00 N ATOM 0 H LYS A 35 -10.090 -0.204 2.747 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.107 2.247 1.540 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.026 1.954 3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.763 1.717 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.101 3.985 4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.816 3.990 3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.554 4.109 1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.798 4.204 2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.398 6.231 3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.647 6.225 2.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.491 7.716 2.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.906 6.375 1.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.548 6.535 2.819 1.00 0.00 H new ATOM 484 N LEU A 36 -6.762 2.303 2.298 1.00 0.00 N ATOM 485 CA LEU A 36 -5.357 2.333 2.688 1.00 0.00 C ATOM 486 C LEU A 36 -5.040 3.594 3.486 1.00 0.00 C ATOM 487 O LEU A 36 -5.733 4.606 3.370 1.00 0.00 O ATOM 488 CB LEU A 36 -4.462 2.260 1.450 1.00 0.00 C ATOM 489 CG LEU A 36 -4.069 0.857 0.987 1.00 0.00 C ATOM 490 CD1 LEU A 36 -3.181 0.183 2.022 1.00 0.00 C ATOM 491 CD2 LEU A 36 -5.309 0.018 0.718 1.00 0.00 C ATOM 0 H LEU A 36 -6.994 2.911 1.513 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.162 1.467 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.972 2.763 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.551 2.823 1.652 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.506 0.946 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.911 -0.815 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.277 0.774 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.718 0.106 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.010 -0.977 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.899 -0.063 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.908 0.492 -0.060 1.00 0.00 H new ATOM 503 N THR A 37 -3.987 3.528 4.294 1.00 0.00 N ATOM 504 CA THR A 37 -3.577 4.664 5.110 1.00 0.00 C ATOM 505 C THR A 37 -2.102 4.569 5.484 1.00 0.00 C ATOM 506 O THR A 37 -1.652 3.556 6.019 1.00 0.00 O ATOM 507 CB THR A 37 -4.416 4.762 6.398 1.00 0.00 C ATOM 508 OG1 THR A 37 -4.385 3.514 7.100 1.00 0.00 O ATOM 509 CG2 THR A 37 -5.856 5.135 6.079 1.00 0.00 C ATOM 0 H THR A 37 -3.402 2.699 4.401 1.00 0.00 H new ATOM 0 HA THR A 37 -3.740 5.559 4.510 1.00 0.00 H new ATOM 0 HB THR A 37 -3.986 5.542 7.026 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.920 3.586 7.918 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.429 5.198 7.004 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.878 6.100 5.572 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.294 4.375 5.432 1.00 0.00 H new ATOM 517 N TRP A 38 -1.356 5.629 5.200 1.00 0.00 N ATOM 518 CA TRP A 38 0.070 5.665 5.507 1.00 0.00 C ATOM 519 C TRP A 38 0.492 7.054 5.973 1.00 0.00 C ATOM 520 O TRP A 38 -0.268 8.016 5.854 1.00 0.00 O ATOM 521 CB TRP A 38 0.887 5.254 4.282 1.00 0.00 C ATOM 522 CG TRP A 38 0.632 6.115 3.082 1.00 0.00 C ATOM 523 CD1 TRP A 38 1.244 7.297 2.776 1.00 0.00 C ATOM 524 CD2 TRP A 38 -0.304 5.862 2.029 1.00 0.00 C ATOM 525 NE1 TRP A 38 0.745 7.794 1.596 1.00 0.00 N ATOM 526 CE2 TRP A 38 -0.206 6.931 1.117 1.00 0.00 C ATOM 527 CE3 TRP A 38 -1.214 4.835 1.766 1.00 0.00 C ATOM 528 CZ2 TRP A 38 -0.985 7.001 -0.035 1.00 0.00 C ATOM 529 CZ3 TRP A 38 -1.987 4.906 0.622 1.00 0.00 C ATOM 530 CH2 TRP A 38 -1.868 5.982 -0.267 1.00 0.00 C ATOM 0 H TRP A 38 -1.714 6.476 4.758 1.00 0.00 H new ATOM 0 HA TRP A 38 0.260 4.958 6.315 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.947 5.295 4.531 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.658 4.218 4.032 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.008 7.772 3.374 1.00 0.00 H new ATOM 0 HE1 TRP A 38 1.035 8.664 1.149 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.312 4.000 2.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.895 7.830 -0.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.695 4.118 0.410 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.485 6.008 -1.153 1.00 0.00 H new ATOM 541 N ARG A 39 1.707 7.152 6.503 1.00 0.00 N ATOM 542 CA ARG A 39 2.228 8.424 6.988 1.00 0.00 C ATOM 543 C ARG A 39 3.202 9.031 5.982 1.00 0.00 C ATOM 544 O ARG A 39 3.451 8.460 4.919 1.00 0.00 O ATOM 545 CB ARG A 39 2.924 8.234 8.337 1.00 0.00 C ATOM 546 CG ARG A 39 2.004 7.714 9.429 1.00 0.00 C ATOM 547 CD ARG A 39 1.044 8.792 9.908 1.00 0.00 C ATOM 548 NE ARG A 39 1.715 9.798 10.727 1.00 0.00 N ATOM 549 CZ ARG A 39 1.071 10.732 11.417 1.00 0.00 C ATOM 550 NH1 ARG A 39 -0.254 10.789 11.387 1.00 0.00 N ATOM 551 NH2 ARG A 39 1.751 11.613 12.140 1.00 0.00 N ATOM 0 H ARG A 39 2.349 6.366 6.607 1.00 0.00 H new ATOM 0 HA ARG A 39 1.388 9.108 7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.755 7.540 8.213 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.349 9.186 8.654 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.438 6.861 9.054 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.600 7.356 10.269 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.582 9.275 9.047 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.241 8.332 10.484 1.00 0.00 H new ATOM 0 HE ARG A 39 2.734 9.782 10.771 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.781 10.114 10.833 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.746 11.508 11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.770 11.573 12.166 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.255 12.330 12.669 1.00 0.00 H new ATOM 565 N THR A 40 3.752 10.192 6.324 1.00 0.00 N ATOM 566 CA THR A 40 4.697 10.877 5.452 1.00 0.00 C ATOM 567 C THR A 40 6.046 10.168 5.437 1.00 0.00 C ATOM 568 O THR A 40 6.506 9.637 6.449 1.00 0.00 O ATOM 569 CB THR A 40 4.904 12.340 5.886 1.00 0.00 C ATOM 570 OG1 THR A 40 4.835 12.442 7.313 1.00 0.00 O ATOM 571 CG2 THR A 40 3.855 13.245 5.257 1.00 0.00 C ATOM 0 H THR A 40 3.559 10.678 7.200 1.00 0.00 H new ATOM 0 HA THR A 40 4.270 10.860 4.449 1.00 0.00 H new ATOM 0 HB THR A 40 5.889 12.661 5.546 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.014 13.367 7.584 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.022 14.273 5.578 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.929 13.188 4.171 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.862 12.923 5.571 1.00 0.00 H new ATOM 579 N PRO A 41 6.697 10.156 4.265 1.00 0.00 N ATOM 580 CA PRO A 41 8.004 9.516 4.092 1.00 0.00 C ATOM 581 C PRO A 41 9.118 10.266 4.815 1.00 0.00 C ATOM 582 O PRO A 41 9.045 11.481 4.996 1.00 0.00 O ATOM 583 CB PRO A 41 8.224 9.562 2.578 1.00 0.00 C ATOM 584 CG PRO A 41 7.406 10.717 2.111 1.00 0.00 C ATOM 585 CD PRO A 41 6.208 10.769 3.018 1.00 0.00 C ATOM 0 HA PRO A 41 8.023 8.509 4.509 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.278 9.699 2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.906 8.634 2.103 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.975 11.645 2.163 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.104 10.586 1.072 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.870 11.793 3.179 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.365 10.217 2.602 1.00 0.00 H new ATOM 593 N ALA A 42 10.148 9.534 5.226 1.00 0.00 N ATOM 594 CA ALA A 42 11.278 10.131 5.927 1.00 0.00 C ATOM 595 C ALA A 42 11.898 11.259 5.109 1.00 0.00 C ATOM 596 O ALA A 42 12.404 12.234 5.663 1.00 0.00 O ATOM 597 CB ALA A 42 12.322 9.071 6.244 1.00 0.00 C ATOM 0 H ALA A 42 10.223 8.527 5.086 1.00 0.00 H new ATOM 0 HA ALA A 42 10.911 10.555 6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.160 9.531 6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.879 8.301 6.875 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.676 8.621 5.317 1.00 0.00 H new ATOM 603 N SER A 43 11.855 11.118 3.788 1.00 0.00 N ATOM 604 CA SER A 43 12.417 12.123 2.893 1.00 0.00 C ATOM 605 C SER A 43 11.539 13.370 2.857 1.00 0.00 C ATOM 606 O SER A 43 12.037 14.495 2.894 1.00 0.00 O ATOM 607 CB SER A 43 12.570 11.553 1.482 1.00 0.00 C ATOM 608 OG SER A 43 11.324 11.517 0.809 1.00 0.00 O ATOM 0 H SER A 43 11.437 10.318 3.314 1.00 0.00 H new ATOM 0 HA SER A 43 13.400 12.402 3.273 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.275 12.161 0.915 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.987 10.547 1.536 1.00 0.00 H new ATOM 0 HG SER A 43 11.374 12.067 -0.001 1.00 0.00 H new ATOM 614 N ASP A 44 10.229 13.161 2.786 1.00 0.00 N ATOM 615 CA ASP A 44 9.279 14.267 2.746 1.00 0.00 C ATOM 616 C ASP A 44 8.300 14.185 3.913 1.00 0.00 C ATOM 617 O ASP A 44 7.297 13.474 3.865 1.00 0.00 O ATOM 618 CB ASP A 44 8.514 14.263 1.421 1.00 0.00 C ATOM 619 CG ASP A 44 9.234 15.038 0.335 1.00 0.00 C ATOM 620 OD1 ASP A 44 10.085 14.439 -0.357 1.00 0.00 O ATOM 621 OD2 ASP A 44 8.946 16.242 0.175 1.00 0.00 O ATOM 0 H ASP A 44 9.801 12.236 2.755 1.00 0.00 H new ATOM 0 HA ASP A 44 9.840 15.198 2.830 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.367 13.234 1.093 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.524 14.693 1.575 1.00 0.00 H new ATOM 626 N PRO A 45 8.598 14.930 4.988 1.00 0.00 N ATOM 627 CA PRO A 45 7.757 14.959 6.188 1.00 0.00 C ATOM 628 C PRO A 45 6.426 15.662 5.947 1.00 0.00 C ATOM 629 O PRO A 45 5.451 15.433 6.665 1.00 0.00 O ATOM 630 CB PRO A 45 8.602 15.743 7.195 1.00 0.00 C ATOM 631 CG PRO A 45 9.492 16.597 6.359 1.00 0.00 C ATOM 632 CD PRO A 45 9.777 15.802 5.115 1.00 0.00 C ATOM 0 HA PRO A 45 7.491 13.956 6.523 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.976 16.347 7.852 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.180 15.074 7.833 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.009 17.543 6.116 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.414 16.837 6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.895 16.447 4.244 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.696 15.224 5.210 1.00 0.00 H new ATOM 640 N HIS A 46 6.390 16.520 4.933 1.00 0.00 N ATOM 641 CA HIS A 46 5.177 17.257 4.596 1.00 0.00 C ATOM 642 C HIS A 46 4.402 16.551 3.488 1.00 0.00 C ATOM 643 O HIS A 46 3.186 16.697 3.377 1.00 0.00 O ATOM 644 CB HIS A 46 5.525 18.682 4.163 1.00 0.00 C ATOM 645 CG HIS A 46 5.555 19.662 5.295 1.00 0.00 C ATOM 646 ND1 HIS A 46 4.424 20.278 5.788 1.00 0.00 N ATOM 647 CD2 HIS A 46 6.588 20.130 6.034 1.00 0.00 C ATOM 648 CE1 HIS A 46 4.761 21.084 6.779 1.00 0.00 C ATOM 649 NE2 HIS A 46 6.069 21.012 6.949 1.00 0.00 N ATOM 0 H HIS A 46 7.187 16.722 4.330 1.00 0.00 H new ATOM 0 HA HIS A 46 4.548 17.299 5.485 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.498 18.676 3.672 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.797 19.016 3.423 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.628 19.860 5.924 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.082 21.698 7.353 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.606 21.528 7.646 1.00 0.00 H new ATOM 658 N GLY A 47 5.116 15.784 2.669 1.00 0.00 N ATOM 659 CA GLY A 47 4.478 15.067 1.580 1.00 0.00 C ATOM 660 C GLY A 47 3.331 15.845 0.967 1.00 0.00 C ATOM 661 O GLY A 47 2.363 15.259 0.484 1.00 0.00 O ATOM 0 H GLY A 47 6.124 15.647 2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.218 14.849 0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.108 14.109 1.947 1.00 0.00 H new ATOM 665 N ASP A 48 3.438 17.169 0.989 1.00 0.00 N ATOM 666 CA ASP A 48 2.400 18.029 0.431 1.00 0.00 C ATOM 667 C ASP A 48 2.771 18.485 -0.977 1.00 0.00 C ATOM 668 O ASP A 48 1.957 19.081 -1.681 1.00 0.00 O ATOM 669 CB ASP A 48 2.178 19.245 1.332 1.00 0.00 C ATOM 670 CG ASP A 48 1.251 18.943 2.493 1.00 0.00 C ATOM 671 OD1 ASP A 48 0.403 18.037 2.355 1.00 0.00 O ATOM 672 OD2 ASP A 48 1.373 19.614 3.540 1.00 0.00 O ATOM 0 H ASP A 48 4.232 17.670 1.387 1.00 0.00 H new ATOM 0 HA ASP A 48 1.476 17.453 0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.138 19.588 1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.762 20.061 0.741 1.00 0.00 H new ATOM 677 N ASN A 49 4.005 18.200 -1.380 1.00 0.00 N ATOM 678 CA ASN A 49 4.484 18.582 -2.703 1.00 0.00 C ATOM 679 C ASN A 49 4.747 17.350 -3.564 1.00 0.00 C ATOM 680 O ASN A 49 5.447 17.422 -4.574 1.00 0.00 O ATOM 681 CB ASN A 49 5.761 19.417 -2.585 1.00 0.00 C ATOM 682 CG ASN A 49 6.957 18.587 -2.161 1.00 0.00 C ATOM 683 OD1 ASN A 49 7.786 18.205 -2.988 1.00 0.00 O ATOM 684 ND2 ASN A 49 7.052 18.304 -0.868 1.00 0.00 N ATOM 0 H ASN A 49 4.691 17.706 -0.809 1.00 0.00 H new ATOM 0 HA ASN A 49 3.709 19.180 -3.183 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.972 19.890 -3.544 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.603 20.217 -1.862 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.835 17.749 -0.524 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.342 18.642 -0.219 1.00 0.00 H new ATOM 691 N LEU A 50 4.180 16.219 -3.156 1.00 0.00 N ATOM 692 CA LEU A 50 4.351 14.970 -3.890 1.00 0.00 C ATOM 693 C LEU A 50 3.131 14.070 -3.725 1.00 0.00 C ATOM 694 O LEU A 50 2.597 13.923 -2.625 1.00 0.00 O ATOM 695 CB LEU A 50 5.606 14.240 -3.407 1.00 0.00 C ATOM 696 CG LEU A 50 5.896 14.324 -1.908 1.00 0.00 C ATOM 697 CD1 LEU A 50 5.167 13.218 -1.161 1.00 0.00 C ATOM 698 CD2 LEU A 50 7.394 14.248 -1.649 1.00 0.00 C ATOM 0 H LEU A 50 3.598 16.142 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 50 4.462 15.211 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.519 13.189 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.465 14.640 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 50 5.533 15.284 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.385 13.293 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.093 13.318 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.499 12.248 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.581 14.309 -0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.782 13.304 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.893 15.076 -2.152 1.00 0.00 H new ATOM 710 N THR A 51 2.694 13.467 -4.827 1.00 0.00 N ATOM 711 CA THR A 51 1.537 12.580 -4.805 1.00 0.00 C ATOM 712 C THR A 51 1.921 11.188 -4.318 1.00 0.00 C ATOM 713 O THR A 51 3.081 10.931 -3.993 1.00 0.00 O ATOM 714 CB THR A 51 0.892 12.465 -6.198 1.00 0.00 C ATOM 715 OG1 THR A 51 1.095 13.676 -6.935 1.00 0.00 O ATOM 716 CG2 THR A 51 -0.598 12.179 -6.083 1.00 0.00 C ATOM 0 H THR A 51 3.124 13.577 -5.745 1.00 0.00 H new ATOM 0 HA THR A 51 0.816 13.017 -4.114 1.00 0.00 H new ATOM 0 HB THR A 51 1.365 11.637 -6.725 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.683 13.593 -7.820 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.032 12.102 -7.080 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.748 11.241 -5.549 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.083 12.989 -5.538 1.00 0.00 H new ATOM 724 N TYR A 52 0.941 10.292 -4.270 1.00 0.00 N ATOM 725 CA TYR A 52 1.177 8.925 -3.820 1.00 0.00 C ATOM 726 C TYR A 52 0.475 7.923 -4.733 1.00 0.00 C ATOM 727 O TYR A 52 -0.728 8.022 -4.973 1.00 0.00 O ATOM 728 CB TYR A 52 0.691 8.748 -2.381 1.00 0.00 C ATOM 729 CG TYR A 52 1.478 9.555 -1.373 1.00 0.00 C ATOM 730 CD1 TYR A 52 2.770 9.189 -1.018 1.00 0.00 C ATOM 731 CD2 TYR A 52 0.929 10.683 -0.775 1.00 0.00 C ATOM 732 CE1 TYR A 52 3.493 9.923 -0.097 1.00 0.00 C ATOM 733 CE2 TYR A 52 1.644 11.423 0.146 1.00 0.00 C ATOM 734 CZ TYR A 52 2.926 11.039 0.482 1.00 0.00 C ATOM 735 OH TYR A 52 3.641 11.773 1.400 1.00 0.00 O ATOM 0 H TYR A 52 -0.024 10.488 -4.537 1.00 0.00 H new ATOM 0 HA TYR A 52 2.250 8.736 -3.859 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.359 9.034 -2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.749 7.693 -2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.217 8.316 -1.470 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.074 10.986 -1.035 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.497 9.624 0.168 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.202 12.297 0.601 1.00 0.00 H new ATOM 0 HH TYR A 52 4.591 11.760 1.160 1.00 0.00 H new ATOM 745 N SER A 53 1.237 6.958 -5.238 1.00 0.00 N ATOM 746 CA SER A 53 0.691 5.939 -6.126 1.00 0.00 C ATOM 747 C SER A 53 0.535 4.609 -5.396 1.00 0.00 C ATOM 748 O SER A 53 1.406 4.205 -4.625 1.00 0.00 O ATOM 749 CB SER A 53 1.594 5.761 -7.348 1.00 0.00 C ATOM 750 OG SER A 53 1.287 6.713 -8.352 1.00 0.00 O ATOM 0 H SER A 53 2.234 6.861 -5.047 1.00 0.00 H new ATOM 0 HA SER A 53 -0.294 6.269 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.638 5.865 -7.051 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.475 4.754 -7.748 1.00 0.00 H new ATOM 0 HG SER A 53 1.484 6.334 -9.234 1.00 0.00 H new ATOM 756 N VAL A 54 -0.581 3.931 -5.645 1.00 0.00 N ATOM 757 CA VAL A 54 -0.852 2.646 -5.013 1.00 0.00 C ATOM 758 C VAL A 54 -1.007 1.543 -6.054 1.00 0.00 C ATOM 759 O VAL A 54 -1.968 1.532 -6.824 1.00 0.00 O ATOM 760 CB VAL A 54 -2.125 2.703 -4.148 1.00 0.00 C ATOM 761 CG1 VAL A 54 -2.467 1.322 -3.608 1.00 0.00 C ATOM 762 CG2 VAL A 54 -1.953 3.700 -3.012 1.00 0.00 C ATOM 0 H VAL A 54 -1.312 4.251 -6.280 1.00 0.00 H new ATOM 0 HA VAL A 54 0.002 2.421 -4.374 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.953 3.038 -4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.369 1.382 -2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.635 0.638 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.642 0.955 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.862 3.727 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.113 3.397 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.760 4.691 -3.423 1.00 0.00 H new ATOM 772 N PHE A 55 -0.055 0.616 -6.073 1.00 0.00 N ATOM 773 CA PHE A 55 -0.086 -0.492 -7.021 1.00 0.00 C ATOM 774 C PHE A 55 -0.575 -1.771 -6.347 1.00 0.00 C ATOM 775 O PHE A 55 0.073 -2.295 -5.441 1.00 0.00 O ATOM 776 CB PHE A 55 1.304 -0.717 -7.619 1.00 0.00 C ATOM 777 CG PHE A 55 1.963 0.546 -8.097 1.00 0.00 C ATOM 778 CD1 PHE A 55 2.503 1.446 -7.193 1.00 0.00 C ATOM 779 CD2 PHE A 55 2.042 0.832 -9.450 1.00 0.00 C ATOM 780 CE1 PHE A 55 3.110 2.609 -7.629 1.00 0.00 C ATOM 781 CE2 PHE A 55 2.648 1.993 -9.892 1.00 0.00 C ATOM 782 CZ PHE A 55 3.182 2.883 -8.981 1.00 0.00 C ATOM 0 H PHE A 55 0.747 0.610 -5.443 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.781 -0.235 -7.820 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.941 -1.189 -6.871 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.223 -1.414 -8.454 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.449 1.237 -6.135 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.626 0.140 -10.167 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.527 3.302 -6.914 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.704 2.204 -10.950 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.655 3.791 -9.325 1.00 0.00 H new ATOM 792 N TYR A 56 -1.722 -2.267 -6.796 1.00 0.00 N ATOM 793 CA TYR A 56 -2.301 -3.482 -6.235 1.00 0.00 C ATOM 794 C TYR A 56 -2.292 -4.613 -7.260 1.00 0.00 C ATOM 795 O TYR A 56 -2.313 -4.373 -8.468 1.00 0.00 O ATOM 796 CB TYR A 56 -3.731 -3.220 -5.762 1.00 0.00 C ATOM 797 CG TYR A 56 -4.588 -2.511 -6.787 1.00 0.00 C ATOM 798 CD1 TYR A 56 -4.649 -1.124 -6.830 1.00 0.00 C ATOM 799 CD2 TYR A 56 -5.337 -3.229 -7.711 1.00 0.00 C ATOM 800 CE1 TYR A 56 -5.431 -0.472 -7.764 1.00 0.00 C ATOM 801 CE2 TYR A 56 -6.121 -2.586 -8.649 1.00 0.00 C ATOM 802 CZ TYR A 56 -6.164 -1.207 -8.672 1.00 0.00 C ATOM 803 OH TYR A 56 -6.945 -0.563 -9.604 1.00 0.00 O ATOM 0 H TYR A 56 -2.270 -1.847 -7.547 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.693 -3.783 -5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.199 -4.170 -5.504 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.700 -2.622 -4.851 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.075 -0.545 -6.121 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.306 -4.308 -7.696 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.468 0.607 -7.783 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.697 -3.159 -9.360 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.842 0.406 -9.504 1.00 0.00 H new ATOM 813 N THR A 57 -2.261 -5.848 -6.769 1.00 0.00 N ATOM 814 CA THR A 57 -2.248 -7.016 -7.639 1.00 0.00 C ATOM 815 C THR A 57 -2.512 -8.293 -6.849 1.00 0.00 C ATOM 816 O THR A 57 -2.219 -8.369 -5.656 1.00 0.00 O ATOM 817 CB THR A 57 -0.904 -7.152 -8.378 1.00 0.00 C ATOM 818 OG1 THR A 57 -0.805 -8.447 -8.981 1.00 0.00 O ATOM 819 CG2 THR A 57 0.262 -6.940 -7.424 1.00 0.00 C ATOM 0 H THR A 57 -2.244 -6.065 -5.772 1.00 0.00 H new ATOM 0 HA THR A 57 -3.043 -6.873 -8.371 1.00 0.00 H new ATOM 0 HB THR A 57 -0.862 -6.387 -9.153 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.052 -8.525 -9.450 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.201 -7.041 -7.969 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.200 -5.942 -6.990 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.222 -7.685 -6.629 1.00 0.00 H new ATOM 827 N LYS A 58 -3.067 -9.296 -7.522 1.00 0.00 N ATOM 828 CA LYS A 58 -3.369 -10.571 -6.884 1.00 0.00 C ATOM 829 C LYS A 58 -2.092 -11.361 -6.615 1.00 0.00 C ATOM 830 O LYS A 58 -1.209 -11.440 -7.469 1.00 0.00 O ATOM 831 CB LYS A 58 -4.314 -11.393 -7.763 1.00 0.00 C ATOM 832 CG LYS A 58 -5.167 -12.379 -6.983 1.00 0.00 C ATOM 833 CD LYS A 58 -6.502 -12.625 -7.666 1.00 0.00 C ATOM 834 CE LYS A 58 -6.393 -13.708 -8.728 1.00 0.00 C ATOM 835 NZ LYS A 58 -5.843 -14.976 -8.173 1.00 0.00 N ATOM 0 H LYS A 58 -3.317 -9.250 -8.510 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.856 -10.365 -5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.967 -10.715 -8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.727 -11.938 -8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.631 -13.323 -6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.337 -11.997 -5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.244 -12.916 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.854 -11.700 -8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.377 -13.896 -9.157 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.753 -13.359 -9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.189 -15.780 -8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.804 -14.949 -8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.151 -15.085 -7.186 1.00 0.00 H new ATOM 924 N GLU A 64 -0.265 -5.490 -11.989 1.00 0.00 N ATOM 925 CA GLU A 64 -0.761 -4.602 -10.944 1.00 0.00 C ATOM 926 C GLU A 64 -1.227 -3.275 -11.535 1.00 0.00 C ATOM 927 O GLU A 64 -0.696 -2.811 -12.544 1.00 0.00 O ATOM 928 CB GLU A 64 0.327 -4.353 -9.897 1.00 0.00 C ATOM 929 CG GLU A 64 1.443 -3.445 -10.383 1.00 0.00 C ATOM 930 CD GLU A 64 2.237 -4.055 -11.522 1.00 0.00 C ATOM 931 OE1 GLU A 64 2.613 -5.241 -11.415 1.00 0.00 O ATOM 932 OE2 GLU A 64 2.482 -3.346 -12.521 1.00 0.00 O ATOM 0 HA GLU A 64 -1.612 -5.086 -10.465 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.128 -3.912 -9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.754 -5.309 -9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.018 -2.496 -10.709 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.115 -3.225 -9.553 1.00 0.00 H new ATOM 939 N ARG A 65 -2.224 -2.668 -10.899 1.00 0.00 N ATOM 940 CA ARG A 65 -2.764 -1.395 -11.361 1.00 0.00 C ATOM 941 C ARG A 65 -2.418 -0.272 -10.388 1.00 0.00 C ATOM 942 O ARG A 65 -2.511 -0.440 -9.172 1.00 0.00 O ATOM 943 CB ARG A 65 -4.281 -1.491 -11.528 1.00 0.00 C ATOM 944 CG ARG A 65 -4.718 -2.550 -12.527 1.00 0.00 C ATOM 945 CD ARG A 65 -4.755 -1.998 -13.944 1.00 0.00 C ATOM 946 NE ARG A 65 -3.418 -1.882 -14.520 1.00 0.00 N ATOM 947 CZ ARG A 65 -3.159 -1.234 -15.651 1.00 0.00 C ATOM 948 NH1 ARG A 65 -4.140 -0.647 -16.322 1.00 0.00 N ATOM 949 NH2 ARG A 65 -1.916 -1.171 -16.111 1.00 0.00 N ATOM 0 H ARG A 65 -2.674 -3.038 -10.062 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.313 -1.167 -12.327 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.732 -1.709 -10.560 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.665 -0.522 -11.847 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.034 -3.397 -12.483 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.705 -2.923 -12.255 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.365 -2.649 -14.571 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.234 -1.019 -13.940 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.641 -2.322 -14.028 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.096 -0.692 -15.971 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.938 -0.150 -17.190 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.158 -1.620 -15.596 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.718 -0.673 -16.979 1.00 0.00 H new ATOM 963 N VAL A 66 -2.018 0.873 -10.932 1.00 0.00 N ATOM 964 CA VAL A 66 -1.659 2.024 -10.112 1.00 0.00 C ATOM 965 C VAL A 66 -2.842 2.971 -9.946 1.00 0.00 C ATOM 966 O VAL A 66 -3.539 3.284 -10.911 1.00 0.00 O ATOM 967 CB VAL A 66 -0.476 2.800 -10.721 1.00 0.00 C ATOM 968 CG1 VAL A 66 -0.964 3.765 -11.790 1.00 0.00 C ATOM 969 CG2 VAL A 66 0.292 3.538 -9.635 1.00 0.00 C ATOM 0 H VAL A 66 -1.934 1.028 -11.937 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.367 1.638 -9.136 1.00 0.00 H new ATOM 0 HB VAL A 66 0.200 2.087 -11.192 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.114 4.304 -12.209 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.466 3.208 -12.581 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.662 4.476 -11.347 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.124 4.081 -10.083 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.372 4.242 -9.134 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.675 2.821 -8.909 1.00 0.00 H new ATOM 979 N GLU A 67 -3.063 3.425 -8.717 1.00 0.00 N ATOM 980 CA GLU A 67 -4.162 4.337 -8.425 1.00 0.00 C ATOM 981 C GLU A 67 -3.650 5.613 -7.762 1.00 0.00 C ATOM 982 O GLU A 67 -3.277 5.608 -6.590 1.00 0.00 O ATOM 983 CB GLU A 67 -5.192 3.657 -7.521 1.00 0.00 C ATOM 984 CG GLU A 67 -6.609 4.171 -7.717 1.00 0.00 C ATOM 985 CD GLU A 67 -7.162 3.845 -9.091 1.00 0.00 C ATOM 986 OE1 GLU A 67 -6.828 2.766 -9.625 1.00 0.00 O ATOM 987 OE2 GLU A 67 -7.929 4.669 -9.632 1.00 0.00 O ATOM 0 H GLU A 67 -2.495 3.176 -7.907 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.638 4.605 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.175 2.583 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.902 3.803 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.258 3.737 -6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.624 5.251 -7.570 1.00 0.00 H new ATOM 994 N ASN A 68 -3.635 6.703 -8.522 1.00 0.00 N ATOM 995 CA ASN A 68 -3.168 7.986 -8.009 1.00 0.00 C ATOM 996 C ASN A 68 -4.201 8.606 -7.073 1.00 0.00 C ATOM 997 O ASN A 68 -5.371 8.749 -7.428 1.00 0.00 O ATOM 998 CB ASN A 68 -2.871 8.943 -9.165 1.00 0.00 C ATOM 999 CG ASN A 68 -1.930 8.338 -10.190 1.00 0.00 C ATOM 1000 OD1 ASN A 68 -0.715 8.311 -9.993 1.00 0.00 O ATOM 1001 ND2 ASN A 68 -2.490 7.849 -11.290 1.00 0.00 N ATOM 0 H ASN A 68 -3.941 6.724 -9.495 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.251 7.812 -7.445 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.806 9.220 -9.653 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.433 9.860 -8.771 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.908 7.429 -12.015 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.502 7.893 -11.410 1.00 0.00 H new ATOM 1008 N THR A 69 -3.759 8.974 -5.874 1.00 0.00 N ATOM 1009 CA THR A 69 -4.644 9.578 -4.886 1.00 0.00 C ATOM 1010 C THR A 69 -5.403 10.760 -5.478 1.00 0.00 C ATOM 1011 O THR A 69 -4.801 11.701 -5.995 1.00 0.00 O ATOM 1012 CB THR A 69 -3.862 10.053 -3.647 1.00 0.00 C ATOM 1013 OG1 THR A 69 -2.876 11.018 -4.031 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.187 8.881 -2.951 1.00 0.00 C ATOM 0 H THR A 69 -2.793 8.864 -5.564 1.00 0.00 H new ATOM 0 HA THR A 69 -5.354 8.808 -4.585 1.00 0.00 H new ATOM 0 HB THR A 69 -4.567 10.510 -2.953 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.315 11.869 -4.239 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.641 9.241 -2.079 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.942 8.162 -2.634 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.493 8.399 -3.640 1.00 0.00 H new ATOM 1022 N SER A 70 -6.729 10.706 -5.398 1.00 0.00 N ATOM 1023 CA SER A 70 -7.571 11.772 -5.929 1.00 0.00 C ATOM 1024 C SER A 70 -6.926 13.136 -5.705 1.00 0.00 C ATOM 1025 O SER A 70 -7.117 14.063 -6.492 1.00 0.00 O ATOM 1026 CB SER A 70 -8.952 11.734 -5.273 1.00 0.00 C ATOM 1027 OG SER A 70 -9.882 12.521 -5.996 1.00 0.00 O ATOM 0 H SER A 70 -7.243 9.936 -4.971 1.00 0.00 H new ATOM 0 HA SER A 70 -7.682 11.614 -7.002 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.305 10.704 -5.221 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.881 12.099 -4.248 1.00 0.00 H new ATOM 0 HG SER A 70 -10.757 12.479 -5.557 1.00 0.00 H new ATOM 1033 N HIS A 71 -6.160 13.252 -4.624 1.00 0.00 N ATOM 1034 CA HIS A 71 -5.486 14.502 -4.295 1.00 0.00 C ATOM 1035 C HIS A 71 -4.043 14.246 -3.870 1.00 0.00 C ATOM 1036 O HIS A 71 -3.718 13.217 -3.278 1.00 0.00 O ATOM 1037 CB HIS A 71 -6.236 15.233 -3.181 1.00 0.00 C ATOM 1038 CG HIS A 71 -7.707 15.356 -3.430 1.00 0.00 C ATOM 1039 ND1 HIS A 71 -8.281 16.462 -4.020 1.00 0.00 N ATOM 1040 CD2 HIS A 71 -8.724 14.501 -3.168 1.00 0.00 C ATOM 1041 CE1 HIS A 71 -9.587 16.284 -4.107 1.00 0.00 C ATOM 1042 NE2 HIS A 71 -9.882 15.102 -3.598 1.00 0.00 N ATOM 0 H HIS A 71 -5.991 12.495 -3.962 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.478 15.127 -5.188 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.078 14.705 -2.241 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.811 16.230 -3.062 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.640 13.528 -2.707 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.294 16.986 -4.524 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.817 14.700 -3.534 1.00 0.00 H new ATOM 1051 N PRO A 72 -3.155 15.203 -4.179 1.00 0.00 N ATOM 1052 CA PRO A 72 -1.733 15.103 -3.838 1.00 0.00 C ATOM 1053 C PRO A 72 -1.486 15.222 -2.338 1.00 0.00 C ATOM 1054 O PRO A 72 -2.056 16.085 -1.672 1.00 0.00 O ATOM 1055 CB PRO A 72 -1.107 16.288 -4.578 1.00 0.00 C ATOM 1056 CG PRO A 72 -2.217 17.270 -4.728 1.00 0.00 C ATOM 1057 CD PRO A 72 -3.472 16.456 -4.884 1.00 0.00 C ATOM 0 HA PRO A 72 -1.314 14.137 -4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.276 16.713 -4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.712 15.985 -5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.281 17.923 -3.857 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.057 17.910 -5.595 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.334 16.958 -4.444 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.708 16.278 -5.933 1.00 0.00 H new ATOM 1065 N GLY A 73 -0.633 14.349 -1.812 1.00 0.00 N ATOM 1066 CA GLY A 73 -0.326 14.373 -0.394 1.00 0.00 C ATOM 1067 C GLY A 73 -1.257 13.493 0.416 1.00 0.00 C ATOM 1068 O GLY A 73 -0.972 13.176 1.570 1.00 0.00 O ATOM 0 H GLY A 73 -0.149 13.625 -2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.702 14.045 -0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.391 15.398 -0.029 1.00 0.00 H new ATOM 1072 N GLU A 74 -2.373 13.100 -0.190 1.00 0.00 N ATOM 1073 CA GLU A 74 -3.350 12.253 0.485 1.00 0.00 C ATOM 1074 C GLU A 74 -2.661 11.103 1.214 1.00 0.00 C ATOM 1075 O GLU A 74 -2.020 10.256 0.593 1.00 0.00 O ATOM 1076 CB GLU A 74 -4.361 11.701 -0.521 1.00 0.00 C ATOM 1077 CG GLU A 74 -5.726 11.414 0.082 1.00 0.00 C ATOM 1078 CD GLU A 74 -6.491 12.679 0.422 1.00 0.00 C ATOM 1079 OE1 GLU A 74 -6.999 13.334 -0.512 1.00 0.00 O ATOM 1080 OE2 GLU A 74 -6.581 13.013 1.622 1.00 0.00 O ATOM 0 H GLU A 74 -2.623 13.354 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.876 12.863 1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.476 12.415 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.965 10.783 -0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.310 10.818 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.602 10.815 0.984 1.00 0.00 H new ATOM 1087 N MET A 75 -2.799 11.082 2.536 1.00 0.00 N ATOM 1088 CA MET A 75 -2.191 10.036 3.350 1.00 0.00 C ATOM 1089 C MET A 75 -3.082 8.799 3.401 1.00 0.00 C ATOM 1090 O MET A 75 -2.863 7.899 4.211 1.00 0.00 O ATOM 1091 CB MET A 75 -1.931 10.549 4.768 1.00 0.00 C ATOM 1092 CG MET A 75 -0.861 11.627 4.837 1.00 0.00 C ATOM 1093 SD MET A 75 0.791 10.951 5.087 1.00 0.00 S ATOM 1094 CE MET A 75 1.324 10.724 3.392 1.00 0.00 C ATOM 0 H MET A 75 -3.326 11.777 3.066 1.00 0.00 H new ATOM 0 HA MET A 75 -1.242 9.760 2.891 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.860 10.944 5.179 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.633 9.712 5.400 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.876 12.208 3.915 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.095 12.314 5.650 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.287 10.213 3.379 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.588 10.125 2.856 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.422 11.696 2.908 1.00 0.00 H new ATOM 1104 N GLN A 76 -4.086 8.762 2.530 1.00 0.00 N ATOM 1105 CA GLN A 76 -5.010 7.636 2.478 1.00 0.00 C ATOM 1106 C GLN A 76 -5.820 7.656 1.185 1.00 0.00 C ATOM 1107 O GLN A 76 -6.184 8.721 0.685 1.00 0.00 O ATOM 1108 CB GLN A 76 -5.951 7.664 3.683 1.00 0.00 C ATOM 1109 CG GLN A 76 -6.884 8.864 3.700 1.00 0.00 C ATOM 1110 CD GLN A 76 -6.162 10.159 4.017 1.00 0.00 C ATOM 1111 OE1 GLN A 76 -5.445 10.706 3.178 1.00 0.00 O ATOM 1112 NE2 GLN A 76 -6.349 10.658 5.233 1.00 0.00 N ATOM 0 H GLN A 76 -4.280 9.499 1.851 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.424 6.717 2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.547 6.751 3.689 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.357 7.663 4.597 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.373 8.953 2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.668 8.699 4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.952 10.172 5.897 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.890 11.528 5.503 1.00 0.00 H new ATOM 1121 N VAL A 77 -6.098 6.472 0.648 1.00 0.00 N ATOM 1122 CA VAL A 77 -6.865 6.354 -0.586 1.00 0.00 C ATOM 1123 C VAL A 77 -7.714 5.088 -0.586 1.00 0.00 C ATOM 1124 O VAL A 77 -7.492 4.178 0.214 1.00 0.00 O ATOM 1125 CB VAL A 77 -5.944 6.341 -1.820 1.00 0.00 C ATOM 1126 CG1 VAL A 77 -5.223 5.007 -1.935 1.00 0.00 C ATOM 1127 CG2 VAL A 77 -6.741 6.636 -3.082 1.00 0.00 C ATOM 0 H VAL A 77 -5.803 5.581 1.048 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.517 7.226 -0.638 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.194 7.123 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.577 5.017 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.620 4.841 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.955 4.205 -2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.075 6.623 -3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.514 5.878 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.206 7.618 -2.997 1.00 0.00 H new ATOM 1137 N THR A 78 -8.689 5.035 -1.489 1.00 0.00 N ATOM 1138 CA THR A 78 -9.572 3.880 -1.593 1.00 0.00 C ATOM 1139 C THR A 78 -9.371 3.152 -2.917 1.00 0.00 C ATOM 1140 O THR A 78 -9.342 3.773 -3.980 1.00 0.00 O ATOM 1141 CB THR A 78 -11.051 4.292 -1.466 1.00 0.00 C ATOM 1142 OG1 THR A 78 -11.249 5.042 -0.263 1.00 0.00 O ATOM 1143 CG2 THR A 78 -11.955 3.068 -1.462 1.00 0.00 C ATOM 0 H THR A 78 -8.887 5.779 -2.159 1.00 0.00 H new ATOM 0 HA THR A 78 -9.316 3.211 -0.771 1.00 0.00 H new ATOM 0 HB THR A 78 -11.308 4.911 -2.325 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.778 5.899 -0.330 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.994 3.384 -1.371 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.823 2.515 -2.392 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.696 2.427 -0.619 1.00 0.00 H new ATOM 1151 N ILE A 79 -9.232 1.832 -2.846 1.00 0.00 N ATOM 1152 CA ILE A 79 -9.035 1.020 -4.039 1.00 0.00 C ATOM 1153 C ILE A 79 -10.268 0.173 -4.338 1.00 0.00 C ATOM 1154 O ILE A 79 -10.417 -0.929 -3.813 1.00 0.00 O ATOM 1155 CB ILE A 79 -7.814 0.093 -3.895 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -6.631 0.862 -3.301 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -7.440 -0.505 -5.243 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -6.172 2.021 -4.158 1.00 0.00 C ATOM 0 H ILE A 79 -9.252 1.303 -1.974 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.862 1.711 -4.864 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.072 -0.721 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.910 1.237 -2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.797 0.175 -3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.575 -1.158 -5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.280 -1.082 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.197 0.296 -5.941 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.331 2.520 -3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.862 1.651 -5.135 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.991 2.729 -4.282 1.00 0.00 H new ATOM 1170 N GLN A 80 -11.148 0.697 -5.185 1.00 0.00 N ATOM 1171 CA GLN A 80 -12.368 -0.011 -5.555 1.00 0.00 C ATOM 1172 C GLN A 80 -12.113 -0.965 -6.717 1.00 0.00 C ATOM 1173 O GLN A 80 -10.993 -1.062 -7.218 1.00 0.00 O ATOM 1174 CB GLN A 80 -13.468 0.984 -5.928 1.00 0.00 C ATOM 1175 CG GLN A 80 -13.800 1.968 -4.818 1.00 0.00 C ATOM 1176 CD GLN A 80 -14.810 3.013 -5.248 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -15.482 2.861 -6.268 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -14.923 4.083 -4.469 1.00 0.00 N ATOM 0 H GLN A 80 -11.039 1.609 -5.628 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.694 -0.595 -4.694 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.159 1.539 -6.814 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.370 0.433 -6.195 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.191 1.423 -3.959 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.886 2.464 -4.492 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -14.346 4.168 -3.632 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -15.587 4.820 -4.707 1.00 0.00 H new ATOM 1187 N ASN A 81 -13.159 -1.667 -7.141 1.00 0.00 N ATOM 1188 CA ASN A 81 -13.047 -2.614 -8.244 1.00 0.00 C ATOM 1189 C ASN A 81 -12.170 -3.800 -7.856 1.00 0.00 C ATOM 1190 O ASN A 81 -11.292 -4.212 -8.616 1.00 0.00 O ATOM 1191 CB ASN A 81 -12.472 -1.923 -9.481 1.00 0.00 C ATOM 1192 CG ASN A 81 -12.954 -0.491 -9.620 1.00 0.00 C ATOM 1193 OD1 ASN A 81 -14.044 -0.239 -10.134 1.00 0.00 O ATOM 1194 ND2 ASN A 81 -12.141 0.454 -9.162 1.00 0.00 N ATOM 0 H ASN A 81 -14.093 -1.598 -6.738 1.00 0.00 H new ATOM 0 HA ASN A 81 -14.046 -2.984 -8.475 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.383 -1.933 -9.427 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -12.752 -2.486 -10.371 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.411 1.435 -9.229 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.247 0.198 -8.743 1.00 0.00 H new ATOM 1201 N LEU A 82 -12.413 -4.347 -6.670 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.646 -5.487 -6.180 1.00 0.00 C ATOM 1203 C LEU A 82 -12.553 -6.688 -5.933 1.00 0.00 C ATOM 1204 O LEU A 82 -13.776 -6.557 -5.897 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.909 -5.116 -4.892 1.00 0.00 C ATOM 1206 CG LEU A 82 -9.947 -3.931 -4.987 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -9.312 -3.650 -3.634 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -8.877 -4.195 -6.036 1.00 0.00 C ATOM 0 H LEU A 82 -13.136 -4.019 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.916 -5.757 -6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.650 -4.896 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.348 -5.987 -4.554 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.514 -3.051 -5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.631 -2.804 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.091 -3.416 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.759 -4.529 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.202 -3.341 -6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.313 -5.087 -5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.349 -4.346 -7.007 1.00 0.00 H new ATOM 1220 N MET A 83 -11.945 -7.857 -5.762 1.00 0.00 N ATOM 1221 CA MET A 83 -12.698 -9.081 -5.514 1.00 0.00 C ATOM 1222 C MET A 83 -12.613 -9.484 -4.046 1.00 0.00 C ATOM 1223 O MET A 83 -11.551 -9.433 -3.424 1.00 0.00 O ATOM 1224 CB MET A 83 -12.174 -10.215 -6.398 1.00 0.00 C ATOM 1225 CG MET A 83 -12.933 -11.521 -6.223 1.00 0.00 C ATOM 1226 SD MET A 83 -14.346 -11.657 -7.335 1.00 0.00 S ATOM 1227 CE MET A 83 -13.520 -11.756 -8.921 1.00 0.00 C ATOM 0 H MET A 83 -10.933 -7.983 -5.791 1.00 0.00 H new ATOM 0 HA MET A 83 -13.743 -8.891 -5.760 1.00 0.00 H new ATOM 0 HB2 MET A 83 -12.232 -9.907 -7.442 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.121 -10.383 -6.173 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.256 -12.357 -6.398 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.278 -11.601 -5.192 1.00 0.00 H new ATOM 0 HE1 MET A 83 -14.141 -12.317 -9.620 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.355 -10.751 -9.308 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.561 -12.261 -8.801 1.00 0.00 H new ATOM 1237 N PRO A 84 -13.756 -9.894 -3.476 1.00 0.00 N ATOM 1238 CA PRO A 84 -13.835 -10.314 -2.074 1.00 0.00 C ATOM 1239 C PRO A 84 -13.121 -11.638 -1.824 1.00 0.00 C ATOM 1240 O PRO A 84 -12.904 -12.421 -2.748 1.00 0.00 O ATOM 1241 CB PRO A 84 -15.339 -10.464 -1.833 1.00 0.00 C ATOM 1242 CG PRO A 84 -15.913 -10.740 -3.181 1.00 0.00 C ATOM 1243 CD PRO A 84 -15.058 -9.980 -4.157 1.00 0.00 C ATOM 0 HA PRO A 84 -13.351 -9.600 -1.407 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.550 -11.278 -1.139 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.763 -9.558 -1.400 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.900 -11.808 -3.400 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.952 -10.416 -3.237 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.978 -10.500 -5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.468 -8.992 -4.366 1.00 0.00 H new ATOM 1251 N ALA A 85 -12.759 -11.881 -0.568 1.00 0.00 N ATOM 1252 CA ALA A 85 -12.071 -13.112 -0.197 1.00 0.00 C ATOM 1253 C ALA A 85 -10.897 -13.388 -1.130 1.00 0.00 C ATOM 1254 O ALA A 85 -10.649 -14.532 -1.512 1.00 0.00 O ATOM 1255 CB ALA A 85 -13.042 -14.283 -0.207 1.00 0.00 C ATOM 0 H ALA A 85 -12.931 -11.243 0.209 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.678 -12.989 0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.515 -15.195 0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.845 -14.096 0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.463 -14.398 -1.206 1.00 0.00 H new ATOM 1261 N THR A 86 -10.176 -12.332 -1.494 1.00 0.00 N ATOM 1262 CA THR A 86 -9.028 -12.460 -2.384 1.00 0.00 C ATOM 1263 C THR A 86 -7.867 -11.593 -1.912 1.00 0.00 C ATOM 1264 O THR A 86 -7.982 -10.369 -1.839 1.00 0.00 O ATOM 1265 CB THR A 86 -9.392 -12.070 -3.829 1.00 0.00 C ATOM 1266 OG1 THR A 86 -10.315 -13.018 -4.375 1.00 0.00 O ATOM 1267 CG2 THR A 86 -8.147 -12.005 -4.701 1.00 0.00 C ATOM 0 H THR A 86 -10.367 -11.378 -1.186 1.00 0.00 H new ATOM 0 HA THR A 86 -8.727 -13.507 -2.363 1.00 0.00 H new ATOM 0 HB THR A 86 -9.855 -11.083 -3.810 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.187 -12.913 -3.941 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.428 -11.728 -5.717 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.460 -11.261 -4.299 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.660 -12.980 -4.713 1.00 0.00 H new ATOM 1275 N VAL A 87 -6.747 -12.234 -1.592 1.00 0.00 N ATOM 1276 CA VAL A 87 -5.563 -11.521 -1.129 1.00 0.00 C ATOM 1277 C VAL A 87 -5.040 -10.570 -2.200 1.00 0.00 C ATOM 1278 O VAL A 87 -5.071 -10.883 -3.391 1.00 0.00 O ATOM 1279 CB VAL A 87 -4.440 -12.496 -0.731 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -3.192 -11.733 -0.315 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -4.907 -13.419 0.385 1.00 0.00 C ATOM 0 H VAL A 87 -6.635 -13.246 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.863 -10.947 -0.252 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.190 -13.108 -1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.409 -12.439 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.847 -11.118 -1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.423 -11.094 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.101 -14.102 0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.185 -12.825 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.770 -13.992 0.046 1.00 0.00 H new ATOM 1291 N TYR A 88 -4.559 -9.409 -1.769 1.00 0.00 N ATOM 1292 CA TYR A 88 -4.030 -8.412 -2.692 1.00 0.00 C ATOM 1293 C TYR A 88 -2.802 -7.723 -2.104 1.00 0.00 C ATOM 1294 O TYR A 88 -2.774 -7.385 -0.920 1.00 0.00 O ATOM 1295 CB TYR A 88 -5.103 -7.372 -3.021 1.00 0.00 C ATOM 1296 CG TYR A 88 -6.132 -7.857 -4.017 1.00 0.00 C ATOM 1297 CD1 TYR A 88 -5.822 -7.967 -5.367 1.00 0.00 C ATOM 1298 CD2 TYR A 88 -7.412 -8.207 -3.608 1.00 0.00 C ATOM 1299 CE1 TYR A 88 -6.759 -8.409 -6.281 1.00 0.00 C ATOM 1300 CE2 TYR A 88 -8.355 -8.652 -4.514 1.00 0.00 C ATOM 1301 CZ TYR A 88 -8.024 -8.751 -5.849 1.00 0.00 C ATOM 1302 OH TYR A 88 -8.960 -9.193 -6.756 1.00 0.00 O ATOM 0 H TYR A 88 -4.525 -9.135 -0.787 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.734 -8.922 -3.609 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.609 -7.081 -2.101 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.621 -6.478 -3.416 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.832 -7.703 -5.708 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.675 -8.130 -2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.503 -8.486 -7.327 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.346 -8.921 -4.179 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.508 -9.651 -7.496 1.00 0.00 H new ATOM 1312 N ILE A 89 -1.790 -7.519 -2.940 1.00 0.00 N ATOM 1313 CA ILE A 89 -0.560 -6.870 -2.505 1.00 0.00 C ATOM 1314 C ILE A 89 -0.542 -5.399 -2.907 1.00 0.00 C ATOM 1315 O ILE A 89 -0.355 -5.066 -4.077 1.00 0.00 O ATOM 1316 CB ILE A 89 0.682 -7.566 -3.093 1.00 0.00 C ATOM 1317 CG1 ILE A 89 0.407 -9.056 -3.306 1.00 0.00 C ATOM 1318 CG2 ILE A 89 1.882 -7.369 -2.179 1.00 0.00 C ATOM 1319 CD1 ILE A 89 0.057 -9.793 -2.032 1.00 0.00 C ATOM 0 H ILE A 89 -1.798 -7.794 -3.922 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.530 -6.948 -1.418 1.00 0.00 H new ATOM 0 HB ILE A 89 0.908 -7.116 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.411 -9.168 -4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.286 -9.519 -3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.752 -7.867 -2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.088 -6.304 -2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.667 -7.795 -1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.125 -10.844 -2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.883 -9.712 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.840 -9.355 -1.593 1.00 0.00 H new ATOM 1331 N PHE A 90 -0.737 -4.522 -1.928 1.00 0.00 N ATOM 1332 CA PHE A 90 -0.744 -3.085 -2.178 1.00 0.00 C ATOM 1333 C PHE A 90 0.646 -2.491 -1.969 1.00 0.00 C ATOM 1334 O PHE A 90 1.365 -2.876 -1.047 1.00 0.00 O ATOM 1335 CB PHE A 90 -1.752 -2.390 -1.261 1.00 0.00 C ATOM 1336 CG PHE A 90 -3.174 -2.804 -1.510 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -3.684 -3.959 -0.940 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -4.001 -2.038 -2.316 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -4.992 -4.342 -1.167 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -5.310 -2.416 -2.547 1.00 0.00 C ATOM 1341 CZ PHE A 90 -5.806 -3.570 -1.972 1.00 0.00 C ATOM 0 H PHE A 90 -0.892 -4.781 -0.954 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.037 -2.923 -3.215 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.496 -2.605 -0.224 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.668 -1.311 -1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.052 -4.567 -0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.618 -1.135 -2.769 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.377 -5.244 -0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.945 -1.810 -3.176 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.828 -3.868 -2.152 1.00 0.00 H new ATOM 1351 N ARG A 91 1.017 -1.551 -2.832 1.00 0.00 N ATOM 1352 CA ARG A 91 2.320 -0.904 -2.744 1.00 0.00 C ATOM 1353 C ARG A 91 2.192 0.606 -2.929 1.00 0.00 C ATOM 1354 O ARG A 91 1.770 1.078 -3.984 1.00 0.00 O ATOM 1355 CB ARG A 91 3.271 -1.478 -3.795 1.00 0.00 C ATOM 1356 CG ARG A 91 3.485 -2.978 -3.668 1.00 0.00 C ATOM 1357 CD ARG A 91 4.646 -3.450 -4.529 1.00 0.00 C ATOM 1358 NE ARG A 91 4.840 -4.894 -4.443 1.00 0.00 N ATOM 1359 CZ ARG A 91 5.911 -5.522 -4.917 1.00 0.00 C ATOM 1360 NH1 ARG A 91 6.879 -4.835 -5.508 1.00 0.00 N ATOM 1361 NH2 ARG A 91 6.015 -6.840 -4.800 1.00 0.00 N ATOM 0 H ARG A 91 0.433 -1.221 -3.600 1.00 0.00 H new ATOM 0 HA ARG A 91 2.727 -1.098 -1.751 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.878 -1.258 -4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.234 -0.974 -3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.677 -3.232 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.576 -3.503 -3.962 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.465 -3.170 -5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.559 -2.943 -4.217 1.00 0.00 H new ATOM 0 HE ARG A 91 4.113 -5.452 -3.994 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.803 -3.822 -5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.700 -5.320 -5.871 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.272 -7.372 -4.346 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.837 -7.321 -5.164 1.00 0.00 H new ATOM 1375 N VAL A 92 2.559 1.357 -1.896 1.00 0.00 N ATOM 1376 CA VAL A 92 2.485 2.812 -1.944 1.00 0.00 C ATOM 1377 C VAL A 92 3.835 3.419 -2.313 1.00 0.00 C ATOM 1378 O VAL A 92 4.885 2.871 -1.977 1.00 0.00 O ATOM 1379 CB VAL A 92 2.023 3.396 -0.596 1.00 0.00 C ATOM 1380 CG1 VAL A 92 1.393 4.766 -0.795 1.00 0.00 C ATOM 1381 CG2 VAL A 92 1.052 2.448 0.090 1.00 0.00 C ATOM 0 H VAL A 92 2.911 0.982 -1.015 1.00 0.00 H new ATOM 0 HA VAL A 92 1.753 3.066 -2.711 1.00 0.00 H new ATOM 0 HB VAL A 92 2.895 3.514 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.073 5.163 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.124 5.441 -1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.531 4.677 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.736 2.876 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.181 2.296 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.543 1.491 0.268 1.00 0.00 H new ATOM 1391 N MET A 93 3.799 4.553 -3.004 1.00 0.00 N ATOM 1392 CA MET A 93 5.020 5.235 -3.417 1.00 0.00 C ATOM 1393 C MET A 93 4.774 6.730 -3.595 1.00 0.00 C ATOM 1394 O MET A 93 3.728 7.140 -4.097 1.00 0.00 O ATOM 1395 CB MET A 93 5.550 4.634 -4.720 1.00 0.00 C ATOM 1396 CG MET A 93 6.790 5.334 -5.252 1.00 0.00 C ATOM 1397 SD MET A 93 7.664 4.355 -6.488 1.00 0.00 S ATOM 1398 CE MET A 93 6.319 3.919 -7.587 1.00 0.00 C ATOM 0 H MET A 93 2.938 5.019 -3.290 1.00 0.00 H new ATOM 0 HA MET A 93 5.765 5.098 -2.634 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.779 3.581 -4.558 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.766 4.677 -5.476 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.503 6.291 -5.688 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.464 5.551 -4.423 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.704 3.788 -8.598 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.860 2.990 -7.250 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.573 4.714 -7.583 1.00 0.00 H new ATOM 1408 N ALA A 94 5.744 7.538 -3.181 1.00 0.00 N ATOM 1409 CA ALA A 94 5.632 8.987 -3.297 1.00 0.00 C ATOM 1410 C ALA A 94 6.117 9.468 -4.660 1.00 0.00 C ATOM 1411 O ALA A 94 6.967 8.834 -5.285 1.00 0.00 O ATOM 1412 CB ALA A 94 6.418 9.668 -2.185 1.00 0.00 C ATOM 0 H ALA A 94 6.616 7.214 -2.762 1.00 0.00 H new ATOM 0 HA ALA A 94 4.580 9.254 -3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.326 10.750 -2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.024 9.357 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.468 9.386 -2.256 1.00 0.00 H new ATOM 1418 N GLN A 95 5.571 10.590 -5.116 1.00 0.00 N ATOM 1419 CA GLN A 95 5.947 11.154 -6.407 1.00 0.00 C ATOM 1420 C GLN A 95 6.019 12.676 -6.336 1.00 0.00 C ATOM 1421 O GLN A 95 5.039 13.338 -5.999 1.00 0.00 O ATOM 1422 CB GLN A 95 4.948 10.728 -7.484 1.00 0.00 C ATOM 1423 CG GLN A 95 5.346 9.455 -8.214 1.00 0.00 C ATOM 1424 CD GLN A 95 4.149 8.649 -8.675 1.00 0.00 C ATOM 1425 OE1 GLN A 95 3.259 9.167 -9.351 1.00 0.00 O ATOM 1426 NE2 GLN A 95 4.120 7.371 -8.313 1.00 0.00 N ATOM 0 H GLN A 95 4.866 11.127 -4.611 1.00 0.00 H new ATOM 0 HA GLN A 95 6.935 10.774 -6.667 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.971 10.583 -7.024 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.842 11.535 -8.209 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.960 9.712 -9.077 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.961 8.841 -7.557 1.00 0.00 H new ATOM 0 HE21 GLN A 95 4.878 6.982 -7.753 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.339 6.779 -8.596 1.00 0.00 H new ATOM 1435 N ASN A 96 7.187 13.223 -6.656 1.00 0.00 N ATOM 1436 CA ASN A 96 7.388 14.668 -6.628 1.00 0.00 C ATOM 1437 C ASN A 96 7.790 15.188 -8.004 1.00 0.00 C ATOM 1438 O ASN A 96 7.832 14.435 -8.977 1.00 0.00 O ATOM 1439 CB ASN A 96 8.458 15.035 -5.598 1.00 0.00 C ATOM 1440 CG ASN A 96 9.863 14.785 -6.111 1.00 0.00 C ATOM 1441 OD1 ASN A 96 10.601 15.722 -6.415 1.00 0.00 O ATOM 1442 ND2 ASN A 96 10.240 13.515 -6.209 1.00 0.00 N ATOM 0 H ASN A 96 8.009 12.688 -6.938 1.00 0.00 H new ATOM 0 HA ASN A 96 6.445 15.136 -6.344 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.354 16.086 -5.329 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.297 14.456 -4.689 1.00 0.00 H new ATOM 0 HD21 ASN A 96 11.174 13.285 -6.547 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.595 12.770 -5.946 1.00 0.00 H new ATOM 1449 N LYS A 97 8.086 16.481 -8.079 1.00 0.00 N ATOM 1450 CA LYS A 97 8.487 17.104 -9.335 1.00 0.00 C ATOM 1451 C LYS A 97 9.301 16.135 -10.186 1.00 0.00 C ATOM 1452 O LYS A 97 9.161 16.099 -11.409 1.00 0.00 O ATOM 1453 CB LYS A 97 9.303 18.370 -9.062 1.00 0.00 C ATOM 1454 CG LYS A 97 10.342 18.665 -10.130 1.00 0.00 C ATOM 1455 CD LYS A 97 10.988 20.024 -9.919 1.00 0.00 C ATOM 1456 CE LYS A 97 12.339 20.113 -10.611 1.00 0.00 C ATOM 1457 NZ LYS A 97 13.406 19.421 -9.836 1.00 0.00 N ATOM 0 H LYS A 97 8.056 17.119 -7.284 1.00 0.00 H new ATOM 0 HA LYS A 97 7.584 17.373 -9.884 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.625 19.219 -8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.803 18.270 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.109 17.891 -10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.873 18.633 -11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.330 20.804 -10.302 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.112 20.207 -8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.268 19.671 -11.605 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.609 21.160 -10.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.265 20.007 -9.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.083 19.269 -8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.616 18.503 -10.278 1.00 0.00 H new ATOM 1471 N HIS A 98 10.151 15.350 -9.532 1.00 0.00 N ATOM 1472 CA HIS A 98 10.987 14.379 -10.230 1.00 0.00 C ATOM 1473 C HIS A 98 10.140 13.244 -10.800 1.00 0.00 C ATOM 1474 O HIS A 98 9.961 13.138 -12.012 1.00 0.00 O ATOM 1475 CB HIS A 98 12.048 13.814 -9.285 1.00 0.00 C ATOM 1476 CG HIS A 98 12.870 14.868 -8.610 1.00 0.00 C ATOM 1477 ND1 HIS A 98 13.571 15.834 -9.301 1.00 0.00 N ATOM 1478 CD2 HIS A 98 13.100 15.106 -7.297 1.00 0.00 C ATOM 1479 CE1 HIS A 98 14.197 16.619 -8.443 1.00 0.00 C ATOM 1480 NE2 HIS A 98 13.927 16.199 -7.220 1.00 0.00 N ATOM 0 H HIS A 98 10.279 15.367 -8.520 1.00 0.00 H new ATOM 0 HA HIS A 98 11.482 14.890 -11.056 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.559 13.204 -8.525 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.709 13.154 -9.847 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.706 14.541 -6.465 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.823 17.461 -8.698 1.00 0.00 H new ATOM 0 HE2 HIS A 98 14.276 16.619 -6.358 1.00 0.00 H new ATOM 1489 N GLY A 99 9.623 12.397 -9.916 1.00 0.00 N ATOM 1490 CA GLY A 99 8.802 11.281 -10.350 1.00 0.00 C ATOM 1491 C GLY A 99 8.650 10.221 -9.276 1.00 0.00 C ATOM 1492 O GLY A 99 8.573 10.538 -8.089 1.00 0.00 O ATOM 0 H GLY A 99 9.758 12.463 -8.907 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.816 11.648 -10.636 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.245 10.832 -11.239 1.00 0.00 H new ATOM 1496 N SER A 100 8.604 8.960 -9.694 1.00 0.00 N ATOM 1497 CA SER A 100 8.454 7.851 -8.760 1.00 0.00 C ATOM 1498 C SER A 100 9.789 7.506 -8.106 1.00 0.00 C ATOM 1499 O SER A 100 10.741 7.117 -8.781 1.00 0.00 O ATOM 1500 CB SER A 100 7.893 6.623 -9.479 1.00 0.00 C ATOM 1501 OG SER A 100 8.816 6.125 -10.433 1.00 0.00 O ATOM 0 H SER A 100 8.668 8.681 -10.673 1.00 0.00 H new ATOM 0 HA SER A 100 7.756 8.157 -7.981 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.662 5.845 -8.751 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.958 6.883 -9.975 1.00 0.00 H new ATOM 0 HG SER A 100 9.724 6.393 -10.181 1.00 0.00 H new ATOM 1507 N GLY A 101 9.850 7.653 -6.786 1.00 0.00 N ATOM 1508 CA GLY A 101 11.072 7.354 -6.062 1.00 0.00 C ATOM 1509 C GLY A 101 11.209 5.879 -5.741 1.00 0.00 C ATOM 1510 O GLY A 101 11.594 5.084 -6.598 1.00 0.00 O ATOM 0 H GLY A 101 9.075 7.974 -6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.929 7.675 -6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.091 7.928 -5.135 1.00 0.00 H new ATOM 1514 N GLU A 102 10.895 5.513 -4.502 1.00 0.00 N ATOM 1515 CA GLU A 102 10.988 4.123 -4.070 1.00 0.00 C ATOM 1516 C GLU A 102 9.610 3.570 -3.718 1.00 0.00 C ATOM 1517 O GLU A 102 8.800 4.248 -3.088 1.00 0.00 O ATOM 1518 CB GLU A 102 11.922 4.002 -2.865 1.00 0.00 C ATOM 1519 CG GLU A 102 12.048 2.585 -2.331 1.00 0.00 C ATOM 1520 CD GLU A 102 13.085 2.464 -1.232 1.00 0.00 C ATOM 1521 OE1 GLU A 102 14.292 2.478 -1.553 1.00 0.00 O ATOM 1522 OE2 GLU A 102 12.691 2.356 -0.053 1.00 0.00 O ATOM 0 H GLU A 102 10.574 6.159 -3.781 1.00 0.00 H new ATOM 0 HA GLU A 102 11.395 3.539 -4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.911 4.365 -3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.558 4.650 -2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.081 2.257 -1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.312 1.915 -3.149 1.00 0.00 H new ATOM 1529 N SER A 103 9.353 2.332 -4.129 1.00 0.00 N ATOM 1530 CA SER A 103 8.073 1.688 -3.862 1.00 0.00 C ATOM 1531 C SER A 103 8.060 1.062 -2.470 1.00 0.00 C ATOM 1532 O SER A 103 8.829 0.145 -2.183 1.00 0.00 O ATOM 1533 CB SER A 103 7.785 0.619 -4.917 1.00 0.00 C ATOM 1534 OG SER A 103 8.715 -0.447 -4.829 1.00 0.00 O ATOM 0 H SER A 103 10.015 1.755 -4.648 1.00 0.00 H new ATOM 0 HA SER A 103 7.295 2.450 -3.906 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.773 0.235 -4.784 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.829 1.063 -5.911 1.00 0.00 H new ATOM 0 HG SER A 103 9.123 -0.452 -3.938 1.00 0.00 H new ATOM 1540 N SER A 104 7.181 1.566 -1.610 1.00 0.00 N ATOM 1541 CA SER A 104 7.069 1.060 -0.247 1.00 0.00 C ATOM 1542 C SER A 104 6.992 -0.464 -0.237 1.00 0.00 C ATOM 1543 O SER A 104 6.982 -1.102 -1.289 1.00 0.00 O ATOM 1544 CB SER A 104 5.835 1.649 0.439 1.00 0.00 C ATOM 1545 OG SER A 104 4.643 1.113 -0.109 1.00 0.00 O ATOM 0 H SER A 104 6.536 2.324 -1.833 1.00 0.00 H new ATOM 0 HA SER A 104 7.961 1.365 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.874 1.439 1.508 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.835 2.733 0.327 1.00 0.00 H new ATOM 0 HG SER A 104 4.570 1.374 -1.051 1.00 0.00 H new ATOM 1551 N ALA A 105 6.937 -1.040 0.959 1.00 0.00 N ATOM 1552 CA ALA A 105 6.859 -2.488 1.107 1.00 0.00 C ATOM 1553 C ALA A 105 5.472 -3.003 0.736 1.00 0.00 C ATOM 1554 O ALA A 105 4.461 -2.328 0.928 1.00 0.00 O ATOM 1555 CB ALA A 105 7.211 -2.893 2.530 1.00 0.00 C ATOM 0 H ALA A 105 6.945 -0.526 1.840 1.00 0.00 H new ATOM 0 HA ALA A 105 7.580 -2.938 0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.149 -3.977 2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.225 -2.566 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.512 -2.427 3.224 1.00 0.00 H new ATOM 1561 N PRO A 106 5.422 -4.227 0.190 1.00 0.00 N ATOM 1562 CA PRO A 106 4.164 -4.860 -0.220 1.00 0.00 C ATOM 1563 C PRO A 106 3.296 -5.248 0.972 1.00 0.00 C ATOM 1564 O PRO A 106 3.696 -6.062 1.806 1.00 0.00 O ATOM 1565 CB PRO A 106 4.626 -6.109 -0.975 1.00 0.00 C ATOM 1566 CG PRO A 106 5.971 -6.415 -0.415 1.00 0.00 C ATOM 1567 CD PRO A 106 6.588 -5.088 -0.069 1.00 0.00 C ATOM 0 HA PRO A 106 3.545 -4.190 -0.816 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.937 -6.940 -0.825 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.676 -5.927 -2.048 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.891 -7.050 0.467 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.582 -6.952 -1.140 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.235 -5.161 0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.198 -4.703 -0.886 1.00 0.00 H new ATOM 1575 N LEU A 107 2.106 -4.663 1.046 1.00 0.00 N ATOM 1576 CA LEU A 107 1.179 -4.949 2.136 1.00 0.00 C ATOM 1577 C LEU A 107 0.163 -6.008 1.723 1.00 0.00 C ATOM 1578 O LEU A 107 -0.644 -5.790 0.820 1.00 0.00 O ATOM 1579 CB LEU A 107 0.456 -3.671 2.565 1.00 0.00 C ATOM 1580 CG LEU A 107 -0.632 -3.840 3.626 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -0.031 -4.331 4.934 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.378 -2.530 3.838 1.00 0.00 C ATOM 0 H LEU A 107 1.760 -3.988 0.364 1.00 0.00 H new ATOM 0 HA LEU A 107 1.754 -5.334 2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.198 -2.967 2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.007 -3.217 1.682 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.343 -4.587 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.820 -4.445 5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.457 -5.292 4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.702 -3.608 5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.149 -2.669 4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.678 -1.762 4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.842 -2.220 2.902 1.00 0.00 H new ATOM 1594 N ARG A 108 0.207 -7.156 2.393 1.00 0.00 N ATOM 1595 CA ARG A 108 -0.711 -8.249 2.096 1.00 0.00 C ATOM 1596 C ARG A 108 -2.060 -8.026 2.774 1.00 0.00 C ATOM 1597 O ARG A 108 -2.174 -8.112 3.996 1.00 0.00 O ATOM 1598 CB ARG A 108 -0.114 -9.582 2.551 1.00 0.00 C ATOM 1599 CG ARG A 108 -0.969 -10.786 2.193 1.00 0.00 C ATOM 1600 CD ARG A 108 -0.355 -12.079 2.709 1.00 0.00 C ATOM 1601 NE ARG A 108 -0.619 -12.281 4.131 1.00 0.00 N ATOM 1602 CZ ARG A 108 -0.516 -13.458 4.737 1.00 0.00 C ATOM 1603 NH1 ARG A 108 -0.156 -14.533 4.049 1.00 0.00 N ATOM 1604 NH2 ARG A 108 -0.773 -13.562 6.035 1.00 0.00 N ATOM 0 H ARG A 108 0.868 -7.353 3.144 1.00 0.00 H new ATOM 0 HA ARG A 108 -0.866 -8.277 1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 108 0.872 -9.701 2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 108 0.029 -9.557 3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.967 -10.663 2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.084 -10.843 1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -0.754 -12.921 2.143 1.00 0.00 H new ATOM 0 HD3 ARG A 108 0.722 -12.062 2.539 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.898 -11.474 4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 108 0.043 -14.457 3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -0.078 -15.436 4.517 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -1.050 -12.737 6.568 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -0.694 -14.467 6.500 1.00 0.00 H new ATOM 1618 N VAL A 109 -3.079 -7.737 1.970 1.00 0.00 N ATOM 1619 CA VAL A 109 -4.420 -7.501 2.492 1.00 0.00 C ATOM 1620 C VAL A 109 -5.427 -8.466 1.875 1.00 0.00 C ATOM 1621 O VAL A 109 -5.461 -8.647 0.658 1.00 0.00 O ATOM 1622 CB VAL A 109 -4.880 -6.056 2.224 1.00 0.00 C ATOM 1623 CG1 VAL A 109 -6.261 -5.817 2.817 1.00 0.00 C ATOM 1624 CG2 VAL A 109 -3.872 -5.064 2.784 1.00 0.00 C ATOM 0 H VAL A 109 -3.001 -7.661 0.956 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.375 -7.666 3.568 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.942 -5.907 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.570 -4.791 2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.975 -6.505 2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.228 -5.984 3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.213 -4.048 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.776 -5.211 3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.904 -5.221 2.308 1.00 0.00 H new ATOM 1634 N GLU A 110 -6.244 -9.082 2.723 1.00 0.00 N ATOM 1635 CA GLU A 110 -7.252 -10.029 2.260 1.00 0.00 C ATOM 1636 C GLU A 110 -8.658 -9.485 2.496 1.00 0.00 C ATOM 1637 O GLU A 110 -9.041 -9.189 3.629 1.00 0.00 O ATOM 1638 CB GLU A 110 -7.087 -11.373 2.973 1.00 0.00 C ATOM 1639 CG GLU A 110 -8.015 -12.456 2.452 1.00 0.00 C ATOM 1640 CD GLU A 110 -7.848 -13.772 3.188 1.00 0.00 C ATOM 1641 OE1 GLU A 110 -6.696 -14.238 3.314 1.00 0.00 O ATOM 1642 OE2 GLU A 110 -8.868 -14.334 3.637 1.00 0.00 O ATOM 0 H GLU A 110 -6.228 -8.943 3.733 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.112 -10.175 1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.055 -11.708 2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.267 -11.234 4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.048 -12.120 2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.826 -12.611 1.390 1.00 0.00 H new ATOM 1649 N THR A 111 -9.425 -9.356 1.418 1.00 0.00 N ATOM 1650 CA THR A 111 -10.788 -8.847 1.506 1.00 0.00 C ATOM 1651 C THR A 111 -11.679 -9.795 2.300 1.00 0.00 C ATOM 1652 O THR A 111 -11.219 -10.823 2.797 1.00 0.00 O ATOM 1653 CB THR A 111 -11.400 -8.635 0.108 1.00 0.00 C ATOM 1654 OG1 THR A 111 -10.984 -9.684 -0.773 1.00 0.00 O ATOM 1655 CG2 THR A 111 -10.983 -7.289 -0.466 1.00 0.00 C ATOM 0 H THR A 111 -9.125 -9.597 0.473 1.00 0.00 H new ATOM 0 HA THR A 111 -10.734 -7.887 2.020 1.00 0.00 H new ATOM 0 HB THR A 111 -12.486 -8.651 0.204 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.223 -9.452 -1.694 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.427 -7.161 -1.453 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.326 -6.491 0.192 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.897 -7.249 -0.549 1.00 0.00 H new ATOM 1663 N GLN A 112 -12.956 -9.444 2.413 1.00 0.00 N ATOM 1664 CA GLN A 112 -13.911 -10.265 3.147 1.00 0.00 C ATOM 1665 C GLN A 112 -14.894 -10.939 2.195 1.00 0.00 C ATOM 1666 O GLN A 112 -15.327 -10.360 1.199 1.00 0.00 O ATOM 1667 CB GLN A 112 -14.671 -9.414 4.166 1.00 0.00 C ATOM 1668 CG GLN A 112 -13.885 -8.211 4.661 1.00 0.00 C ATOM 1669 CD GLN A 112 -12.816 -8.586 5.668 1.00 0.00 C ATOM 1670 OE1 GLN A 112 -12.445 -9.754 5.791 1.00 0.00 O ATOM 1671 NE2 GLN A 112 -12.315 -7.596 6.396 1.00 0.00 N ATOM 0 H GLN A 112 -13.353 -8.597 2.006 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.355 -11.040 3.675 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.602 -9.069 3.716 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -14.940 -10.037 5.019 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.419 -7.712 3.811 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -14.571 -7.495 5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.652 -6.643 6.261 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.593 -7.788 7.091 1.00 0.00 H new ATOM 1680 N PRO A 113 -15.256 -12.193 2.508 1.00 0.00 N ATOM 1681 CA PRO A 113 -16.192 -12.973 1.692 1.00 0.00 C ATOM 1682 C PRO A 113 -17.617 -12.437 1.773 1.00 0.00 C ATOM 1683 O PRO A 113 -18.249 -12.489 2.827 1.00 0.00 O ATOM 1684 CB PRO A 113 -16.112 -14.374 2.303 1.00 0.00 C ATOM 1685 CG PRO A 113 -15.679 -14.149 3.711 1.00 0.00 C ATOM 1686 CD PRO A 113 -14.779 -12.945 3.680 1.00 0.00 C ATOM 0 HA PRO A 113 -15.936 -12.940 0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.077 -14.880 2.261 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.400 -15.000 1.765 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.537 -13.978 4.361 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.152 -15.020 4.101 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.861 -12.358 4.595 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.732 -13.229 3.576 1.00 0.00 H new