USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 784 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 50 SER OG : rot 180:sc= 0.163 USER MOD Set 1.2: A 53 GLN : amide:sc= 0.0443 X(o=0.21,f=0.18) USER MOD Set 2.1: A 43 THR OG1 : rot -68:sc= 1.2 USER MOD Set 2.2: A 44 HIS :FLIP no HE2:sc= 0.166 F(o=0.2,f=1.4) USER MOD Set 2.3: A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 9 MET CE :methyl 179:sc=-0.000693 (180deg=-0.00108) USER MOD Single : A 10 GLN : amide:sc= -0.019 X(o=-0.019,f=-0.019) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HE2:sc= 0.0974 F(o=-0.46,f=0.097) USER MOD Single : A 22 MET CE :methyl -127:sc=-0.000795 (180deg=-0.126) USER MOD Single : A 30 MET CE :methyl 161:sc= -0.042 (180deg=-0.523) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 146:sc= 0.853 (180deg=0.242) USER MOD Single : A 39 HIS : no HD1:sc= -0.0723 X(o=-0.072,f=-0.0018) USER MOD Single : A 42 MET CE :methyl 171:sc= 0 (180deg=-0.0912) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 57 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.043) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -2.03! C(o=-2!,f=-6!) USER MOD Single : A 79 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0797) USER MOD Single : A 86 HIS : +bothHN:sc= 1.5 K(o=1.5,f=-9.7!) USER MOD Single : A 89 MET CE :methyl 167:sc= -0.547 (180deg=-0.838) USER MOD Single : A 91 GLN : amide:sc= 1.38 K(o=1.4,f=-7.1!) USER MOD Single : A 92 THR OG1 : rot 134:sc= 0.858 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 85:sc= 0.826 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 6 7.669 29.073 32.428 1.00 1.00 N ATOM 77 CA VAL A 6 6.872 28.409 31.401 1.00 1.00 C ATOM 78 C VAL A 6 5.733 27.564 31.967 1.00 1.00 C ATOM 79 O VAL A 6 5.875 26.837 32.955 1.00 1.00 O ATOM 80 CB VAL A 6 7.747 27.628 30.419 1.00 1.00 C ATOM 81 CG1 VAL A 6 8.503 26.478 31.105 1.00 1.00 C ATOM 82 CG2 VAL A 6 6.971 27.102 29.197 1.00 1.00 C ATOM 0 HA VAL A 6 6.386 29.205 30.836 1.00 1.00 H new ATOM 0 HB VAL A 6 8.476 28.350 30.051 1.00 1.00 H new ATOM 0 HG11 VAL A 6 9.111 25.952 30.369 1.00 1.00 H new ATOM 0 HG12 VAL A 6 9.147 26.881 31.886 1.00 1.00 H new ATOM 0 HG13 VAL A 6 7.787 25.785 31.547 1.00 1.00 H new ATOM 0 HG21 VAL A 6 7.651 26.558 28.541 1.00 1.00 H new ATOM 0 HG22 VAL A 6 6.176 26.435 29.530 1.00 1.00 H new ATOM 0 HG23 VAL A 6 6.536 27.941 28.653 1.00 1.00 H new ATOM 92 N ILE A 7 4.547 27.642 31.339 1.00 1.00 N ATOM 93 CA ILE A 7 3.351 26.931 31.763 1.00 1.00 C ATOM 94 C ILE A 7 3.161 25.773 30.805 1.00 1.00 C ATOM 95 O ILE A 7 3.109 25.965 29.591 1.00 1.00 O ATOM 96 CB ILE A 7 2.106 27.820 31.770 1.00 1.00 C ATOM 97 CG1 ILE A 7 2.351 29.081 32.640 1.00 1.00 C ATOM 98 CG2 ILE A 7 0.893 27.006 32.286 1.00 1.00 C ATOM 99 CD1 ILE A 7 1.191 30.083 32.617 1.00 1.00 C ATOM 0 H ILE A 7 4.401 28.215 30.508 1.00 1.00 H new ATOM 0 HA ILE A 7 3.482 26.590 32.790 1.00 1.00 H new ATOM 0 HB ILE A 7 1.891 28.155 30.755 1.00 1.00 H new ATOM 0 HG12 ILE A 7 2.531 28.771 33.669 1.00 1.00 H new ATOM 0 HG13 ILE A 7 3.256 29.580 32.294 1.00 1.00 H new ATOM 0 HG21 ILE A 7 0.006 27.639 32.291 1.00 1.00 H new ATOM 0 HG22 ILE A 7 0.724 26.150 31.632 1.00 1.00 H new ATOM 0 HG23 ILE A 7 1.094 26.655 33.298 1.00 1.00 H new ATOM 0 HD11 ILE A 7 1.436 30.937 33.248 1.00 1.00 H new ATOM 0 HD12 ILE A 7 1.024 30.423 31.595 1.00 1.00 H new ATOM 0 HD13 ILE A 7 0.287 29.602 32.992 1.00 1.00 H new ATOM 111 N GLU A 8 3.092 24.531 31.321 1.00 1.00 N ATOM 112 CA GLU A 8 3.099 23.331 30.503 1.00 1.00 C ATOM 113 C GLU A 8 1.870 22.478 30.763 1.00 1.00 C ATOM 114 O GLU A 8 1.577 22.096 31.900 1.00 1.00 O ATOM 115 CB GLU A 8 4.376 22.508 30.790 1.00 1.00 C ATOM 116 CG GLU A 8 4.525 21.219 29.946 1.00 1.00 C ATOM 117 CD GLU A 8 5.806 20.494 30.297 1.00 1.00 C ATOM 118 OE1 GLU A 8 6.040 20.242 31.509 1.00 1.00 O ATOM 119 OE2 GLU A 8 6.601 20.161 29.381 1.00 1.00 O ATOM 0 H GLU A 8 3.030 24.345 32.322 1.00 1.00 H new ATOM 0 HA GLU A 8 3.086 23.636 29.457 1.00 1.00 H new ATOM 0 HB2 GLU A 8 5.246 23.142 30.615 1.00 1.00 H new ATOM 0 HB3 GLU A 8 4.386 22.237 31.846 1.00 1.00 H new ATOM 0 HG2 GLU A 8 3.671 20.564 30.120 1.00 1.00 H new ATOM 0 HG3 GLU A 8 4.523 21.471 28.885 1.00 1.00 H new ATOM 126 N MET A 9 1.105 22.173 29.698 1.00 1.00 N ATOM 127 CA MET A 9 -0.097 21.367 29.762 1.00 1.00 C ATOM 128 C MET A 9 -0.191 20.437 28.564 1.00 1.00 C ATOM 129 O MET A 9 -0.294 20.890 27.427 1.00 1.00 O ATOM 130 CB MET A 9 -1.352 22.272 29.725 1.00 1.00 C ATOM 131 CG MET A 9 -1.606 23.024 31.040 1.00 1.00 C ATOM 132 SD MET A 9 -2.893 24.290 30.899 1.00 1.00 S ATOM 133 CE MET A 9 -3.173 24.402 32.682 1.00 1.00 C ATOM 0 H MET A 9 1.323 22.494 28.755 1.00 1.00 H new ATOM 0 HA MET A 9 -0.051 20.795 30.688 1.00 1.00 H new ATOM 0 HB2 MET A 9 -1.244 22.996 28.917 1.00 1.00 H new ATOM 0 HB3 MET A 9 -2.224 21.661 29.491 1.00 1.00 H new ATOM 0 HG2 MET A 9 -1.892 22.309 31.811 1.00 1.00 H new ATOM 0 HG3 MET A 9 -0.678 23.493 31.368 1.00 1.00 H new ATOM 0 HE1 MET A 9 -3.937 25.153 32.884 1.00 1.00 H new ATOM 0 HE2 MET A 9 -3.506 23.435 33.059 1.00 1.00 H new ATOM 0 HE3 MET A 9 -2.245 24.686 33.179 1.00 1.00 H new ATOM 143 N GLN A 10 -0.184 19.103 28.777 1.00 1.00 N ATOM 144 CA GLN A 10 -0.477 18.089 27.768 1.00 1.00 C ATOM 145 C GLN A 10 0.347 18.196 26.476 1.00 1.00 C ATOM 146 O GLN A 10 -0.177 18.087 25.368 1.00 1.00 O ATOM 147 CB GLN A 10 -2.003 18.030 27.444 1.00 1.00 C ATOM 148 CG GLN A 10 -2.943 17.789 28.654 1.00 1.00 C ATOM 149 CD GLN A 10 -2.589 16.533 29.452 1.00 1.00 C ATOM 150 OE1 GLN A 10 -2.002 16.616 30.538 1.00 1.00 O ATOM 151 NE2 GLN A 10 -2.939 15.340 28.924 1.00 1.00 N ATOM 0 H GLN A 10 0.034 18.700 29.688 1.00 1.00 H new ATOM 0 HA GLN A 10 -0.167 17.152 28.230 1.00 1.00 H new ATOM 0 HB2 GLN A 10 -2.290 18.967 26.967 1.00 1.00 H new ATOM 0 HB3 GLN A 10 -2.170 17.237 26.715 1.00 1.00 H new ATOM 0 HG2 GLN A 10 -2.903 18.655 29.315 1.00 1.00 H new ATOM 0 HG3 GLN A 10 -3.970 17.708 28.297 1.00 1.00 H new ATOM 0 HE21 GLN A 10 -3.422 15.302 28.027 1.00 1.00 H new ATOM 0 HE22 GLN A 10 -2.720 14.478 29.423 1.00 1.00 H new ATOM 160 N GLY A 11 1.672 18.431 26.586 1.00 1.00 N ATOM 161 CA GLY A 11 2.578 18.647 25.455 1.00 1.00 C ATOM 162 C GLY A 11 2.586 20.045 24.866 1.00 1.00 C ATOM 163 O GLY A 11 3.373 20.347 23.967 1.00 1.00 O ATOM 0 H GLY A 11 2.145 18.475 27.488 1.00 1.00 H new ATOM 0 HA2 GLY A 11 3.591 18.403 25.775 1.00 1.00 H new ATOM 0 HA3 GLY A 11 2.315 17.943 24.665 1.00 1.00 H new ATOM 167 N LEU A 12 1.760 20.966 25.394 1.00 1.00 N ATOM 168 CA LEU A 12 1.691 22.352 24.970 1.00 1.00 C ATOM 169 C LEU A 12 2.361 23.208 26.030 1.00 1.00 C ATOM 170 O LEU A 12 2.049 23.108 27.216 1.00 1.00 O ATOM 171 CB LEU A 12 0.210 22.796 24.816 1.00 1.00 C ATOM 172 CG LEU A 12 -0.030 24.200 24.221 1.00 1.00 C ATOM 173 CD1 LEU A 12 0.270 24.237 22.717 1.00 1.00 C ATOM 174 CD2 LEU A 12 -1.475 24.656 24.479 1.00 1.00 C ATOM 0 H LEU A 12 1.109 20.748 26.148 1.00 1.00 H new ATOM 0 HA LEU A 12 2.192 22.466 24.009 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -0.301 22.067 24.187 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -0.262 22.756 25.798 1.00 1.00 H new ATOM 0 HG LEU A 12 0.656 24.886 24.718 1.00 1.00 H new ATOM 0 HD11 LEU A 12 0.089 25.242 22.335 1.00 1.00 H new ATOM 0 HD12 LEU A 12 1.312 23.966 22.547 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -0.378 23.530 22.199 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -1.625 25.648 24.052 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -2.167 23.953 24.015 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -1.659 24.691 25.553 1.00 1.00 H new ATOM 186 N SER A 13 3.322 24.064 25.642 1.00 1.00 N ATOM 187 CA SER A 13 4.056 24.894 26.585 1.00 1.00 C ATOM 188 C SER A 13 4.024 26.356 26.185 1.00 1.00 C ATOM 189 O SER A 13 4.295 26.734 25.047 1.00 1.00 O ATOM 190 CB SER A 13 5.513 24.419 26.836 1.00 1.00 C ATOM 191 OG SER A 13 6.295 24.367 25.641 1.00 1.00 O ATOM 0 H SER A 13 3.603 24.192 24.670 1.00 1.00 H new ATOM 0 HA SER A 13 3.533 24.783 27.535 1.00 1.00 H new ATOM 0 HB2 SER A 13 5.991 25.091 27.548 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.494 23.430 27.295 1.00 1.00 H new ATOM 0 HG SER A 13 7.202 24.064 25.856 1.00 1.00 H new ATOM 197 N LEU A 14 3.661 27.235 27.133 1.00 1.00 N ATOM 198 CA LEU A 14 3.497 28.660 26.925 1.00 1.00 C ATOM 199 C LEU A 14 4.405 29.410 27.872 1.00 1.00 C ATOM 200 O LEU A 14 4.407 29.166 29.075 1.00 1.00 O ATOM 201 CB LEU A 14 2.018 29.042 27.178 1.00 1.00 C ATOM 202 CG LEU A 14 1.655 30.546 27.175 1.00 1.00 C ATOM 203 CD1 LEU A 14 0.200 30.718 26.740 1.00 1.00 C ATOM 204 CD2 LEU A 14 1.796 31.232 28.544 1.00 1.00 C ATOM 0 H LEU A 14 3.470 26.951 28.094 1.00 1.00 H new ATOM 0 HA LEU A 14 3.762 28.923 25.901 1.00 1.00 H new ATOM 0 HB2 LEU A 14 1.409 28.548 26.420 1.00 1.00 H new ATOM 0 HB3 LEU A 14 1.724 28.628 28.143 1.00 1.00 H new ATOM 0 HG LEU A 14 2.362 31.013 26.489 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -0.056 31.777 26.738 1.00 1.00 H new ATOM 0 HD12 LEU A 14 0.069 30.311 25.737 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.452 30.188 27.434 1.00 1.00 H new ATOM 0 HD21 LEU A 14 1.523 32.283 28.454 1.00 1.00 H new ATOM 0 HD22 LEU A 14 1.137 30.746 29.264 1.00 1.00 H new ATOM 0 HD23 LEU A 14 2.828 31.153 28.886 1.00 1.00 H new ATOM 216 N ASP A 15 5.209 30.360 27.364 1.00 1.00 N ATOM 217 CA ASP A 15 6.125 31.138 28.171 1.00 1.00 C ATOM 218 C ASP A 15 5.581 32.565 28.238 1.00 1.00 C ATOM 219 O ASP A 15 5.539 33.236 27.200 1.00 1.00 O ATOM 220 CB ASP A 15 7.528 31.086 27.525 1.00 1.00 C ATOM 221 CG ASP A 15 8.616 31.667 28.395 1.00 1.00 C ATOM 222 OD1 ASP A 15 8.582 32.882 28.720 1.00 1.00 O ATOM 223 OD2 ASP A 15 9.578 30.928 28.731 1.00 1.00 O ATOM 0 H ASP A 15 5.231 30.600 26.373 1.00 1.00 H new ATOM 0 HA ASP A 15 6.213 30.744 29.184 1.00 1.00 H new ATOM 0 HB2 ASP A 15 7.774 30.050 27.294 1.00 1.00 H new ATOM 0 HB3 ASP A 15 7.503 31.627 26.579 1.00 1.00 H new ATOM 228 N PRO A 16 5.135 33.084 29.388 1.00 1.00 N ATOM 229 CA PRO A 16 4.521 34.406 29.470 1.00 1.00 C ATOM 230 C PRO A 16 5.484 35.525 29.161 1.00 1.00 C ATOM 231 O PRO A 16 5.054 36.574 28.683 1.00 1.00 O ATOM 232 CB PRO A 16 4.009 34.501 30.917 1.00 1.00 C ATOM 233 CG PRO A 16 3.769 33.043 31.308 1.00 1.00 C ATOM 234 CD PRO A 16 4.921 32.320 30.622 1.00 1.00 C ATOM 0 HA PRO A 16 3.729 34.517 28.729 1.00 1.00 H new ATOM 0 HB2 PRO A 16 4.740 34.977 31.571 1.00 1.00 H new ATOM 0 HB3 PRO A 16 3.094 35.089 30.981 1.00 1.00 H new ATOM 0 HG2 PRO A 16 3.790 32.905 32.389 1.00 1.00 H new ATOM 0 HG3 PRO A 16 2.801 32.684 30.960 1.00 1.00 H new ATOM 0 HD2 PRO A 16 5.815 32.311 31.246 1.00 1.00 H new ATOM 0 HD3 PRO A 16 4.670 31.281 30.410 1.00 1.00 H new ATOM 242 N THR A 17 6.783 35.336 29.456 1.00 1.00 N ATOM 243 CA THR A 17 7.785 36.389 29.320 1.00 1.00 C ATOM 244 C THR A 17 8.275 36.439 27.888 1.00 1.00 C ATOM 245 O THR A 17 8.447 37.500 27.293 1.00 1.00 O ATOM 246 CB THR A 17 8.953 36.219 30.285 1.00 1.00 C ATOM 247 OG1 THR A 17 8.478 36.180 31.628 1.00 1.00 O ATOM 248 CG2 THR A 17 9.925 37.404 30.205 1.00 1.00 C ATOM 0 H THR A 17 7.159 34.450 29.793 1.00 1.00 H new ATOM 0 HA THR A 17 7.308 37.334 29.579 1.00 1.00 H new ATOM 0 HB THR A 17 9.457 35.293 30.007 1.00 1.00 H new ATOM 0 HG1 THR A 17 9.235 36.069 32.240 1.00 1.00 H new ATOM 0 HG21 THR A 17 10.745 37.250 30.906 1.00 1.00 H new ATOM 0 HG22 THR A 17 10.322 37.481 29.193 1.00 1.00 H new ATOM 0 HG23 THR A 17 9.399 38.324 30.459 1.00 1.00 H new ATOM 256 N SER A 18 8.458 35.264 27.253 1.00 1.00 N ATOM 257 CA SER A 18 8.888 35.173 25.862 1.00 1.00 C ATOM 258 C SER A 18 7.762 35.414 24.864 1.00 1.00 C ATOM 259 O SER A 18 7.994 35.679 23.687 1.00 1.00 O ATOM 260 CB SER A 18 9.521 33.788 25.573 1.00 1.00 C ATOM 261 OG SER A 18 10.419 33.849 24.465 1.00 1.00 O ATOM 0 H SER A 18 8.309 34.358 27.698 1.00 1.00 H new ATOM 0 HA SER A 18 9.624 35.966 25.730 1.00 1.00 H new ATOM 0 HB2 SER A 18 10.054 33.438 26.457 1.00 1.00 H new ATOM 0 HB3 SER A 18 8.734 33.062 25.367 1.00 1.00 H new ATOM 0 HG SER A 18 10.804 32.962 24.307 1.00 1.00 H new ATOM 267 N HIS A 19 6.491 35.327 25.324 1.00 1.00 N ATOM 268 CA HIS A 19 5.277 35.510 24.527 1.00 1.00 C ATOM 269 C HIS A 19 5.067 34.403 23.505 1.00 1.00 C ATOM 270 O HIS A 19 4.467 34.616 22.453 1.00 1.00 O ATOM 271 CB HIS A 19 5.183 36.879 23.795 1.00 1.00 C ATOM 272 CG HIS A 19 5.491 38.075 24.647 1.00 1.00 C ATOM 273 ND1 HIS A 19 5.441 38.263 25.984 1.00 1.00 N flip ATOM 274 CD2 HIS A 19 5.801 39.283 24.088 1.00 1.00 C flip ATOM 275 CE1 HIS A 19 5.729 39.583 26.207 1.00 1.00 C flip ATOM 276 NE2 HIS A 19 5.947 40.181 25.049 1.00 1.00 N flip ATOM 0 H HIS A 19 6.287 35.119 26.301 1.00 1.00 H new ATOM 0 HA HIS A 19 4.486 35.476 25.276 1.00 1.00 H new ATOM 0 HB2 HIS A 19 5.869 36.869 22.948 1.00 1.00 H new ATOM 0 HB3 HIS A 19 4.177 36.989 23.390 1.00 1.00 H new ATOM 0 HD1 HIS A 19 5.230 37.558 26.690 1.00 1.00 H new ATOM 0 HD2 HIS A 19 5.910 39.474 23.031 1.00 1.00 H new ATOM 0 HE1 HIS A 19 5.771 40.060 27.175 1.00 1.00 H new ATOM 285 N ARG A 20 5.587 33.196 23.790 1.00 1.00 N ATOM 286 CA ARG A 20 5.775 32.156 22.801 1.00 1.00 C ATOM 287 C ARG A 20 5.097 30.864 23.219 1.00 1.00 C ATOM 288 O ARG A 20 5.186 30.441 24.374 1.00 1.00 O ATOM 289 CB ARG A 20 7.296 31.940 22.635 1.00 1.00 C ATOM 290 CG ARG A 20 7.726 31.124 21.404 1.00 1.00 C ATOM 291 CD ARG A 20 9.246 31.178 21.219 1.00 1.00 C ATOM 292 NE ARG A 20 9.583 30.463 19.945 1.00 1.00 N ATOM 293 CZ ARG A 20 10.500 29.489 19.834 1.00 1.00 C ATOM 294 NH1 ARG A 20 10.985 28.844 20.888 1.00 1.00 N ATOM 295 NH2 ARG A 20 10.927 29.140 18.623 1.00 1.00 N ATOM 0 H ARG A 20 5.887 32.927 24.727 1.00 1.00 H new ATOM 0 HA ARG A 20 5.323 32.458 21.857 1.00 1.00 H new ATOM 0 HB2 ARG A 20 7.779 32.916 22.587 1.00 1.00 H new ATOM 0 HB3 ARG A 20 7.673 31.441 23.528 1.00 1.00 H new ATOM 0 HG2 ARG A 20 7.406 30.088 21.519 1.00 1.00 H new ATOM 0 HG3 ARG A 20 7.233 31.514 20.513 1.00 1.00 H new ATOM 0 HD2 ARG A 20 9.588 32.212 21.178 1.00 1.00 H new ATOM 0 HD3 ARG A 20 9.750 30.709 22.064 1.00 1.00 H new ATOM 0 HE ARG A 20 9.079 30.736 19.101 1.00 1.00 H new ATOM 0 HH11 ARG A 20 10.661 29.083 21.825 1.00 1.00 H new ATOM 0 HH12 ARG A 20 11.681 28.110 20.760 1.00 1.00 H new ATOM 0 HH21 ARG A 20 10.558 29.611 17.797 1.00 1.00 H new ATOM 0 HH22 ARG A 20 11.623 28.402 18.521 1.00 1.00 H new ATOM 309 N VAL A 21 4.390 30.205 22.282 1.00 1.00 N ATOM 310 CA VAL A 21 3.672 28.961 22.518 1.00 1.00 C ATOM 311 C VAL A 21 4.284 27.867 21.652 1.00 1.00 C ATOM 312 O VAL A 21 4.463 28.029 20.445 1.00 1.00 O ATOM 313 CB VAL A 21 2.186 29.084 22.184 1.00 1.00 C ATOM 314 CG1 VAL A 21 1.434 27.801 22.595 1.00 1.00 C ATOM 315 CG2 VAL A 21 1.593 30.295 22.927 1.00 1.00 C ATOM 0 H VAL A 21 4.307 30.539 21.322 1.00 1.00 H new ATOM 0 HA VAL A 21 3.759 28.719 23.577 1.00 1.00 H new ATOM 0 HB VAL A 21 2.075 29.223 21.109 1.00 1.00 H new ATOM 0 HG11 VAL A 21 0.377 27.905 22.350 1.00 1.00 H new ATOM 0 HG12 VAL A 21 1.849 26.948 22.058 1.00 1.00 H new ATOM 0 HG13 VAL A 21 1.544 27.642 23.668 1.00 1.00 H new ATOM 0 HG21 VAL A 21 0.533 30.384 22.690 1.00 1.00 H new ATOM 0 HG22 VAL A 21 1.714 30.158 24.002 1.00 1.00 H new ATOM 0 HG23 VAL A 21 2.112 31.202 22.617 1.00 1.00 H new ATOM 325 N MET A 22 4.633 26.713 22.254 1.00 1.00 N ATOM 326 CA MET A 22 5.201 25.571 21.561 1.00 1.00 C ATOM 327 C MET A 22 4.333 24.346 21.788 1.00 1.00 C ATOM 328 O MET A 22 3.785 24.149 22.871 1.00 1.00 O ATOM 329 CB MET A 22 6.640 25.245 22.036 1.00 1.00 C ATOM 330 CG MET A 22 7.644 26.403 21.873 1.00 1.00 C ATOM 331 SD MET A 22 9.356 25.953 22.299 1.00 1.00 S ATOM 332 CE MET A 22 9.735 25.075 20.753 1.00 1.00 C ATOM 0 H MET A 22 4.520 26.559 23.256 1.00 1.00 H new ATOM 0 HA MET A 22 5.240 25.832 20.503 1.00 1.00 H new ATOM 0 HB2 MET A 22 6.606 24.956 23.086 1.00 1.00 H new ATOM 0 HB3 MET A 22 7.006 24.382 21.480 1.00 1.00 H new ATOM 0 HG2 MET A 22 7.616 26.754 20.841 1.00 1.00 H new ATOM 0 HG3 MET A 22 7.330 27.236 22.502 1.00 1.00 H new ATOM 0 HE1 MET A 22 10.114 24.079 20.984 1.00 1.00 H new ATOM 0 HE2 MET A 22 8.830 24.988 20.152 1.00 1.00 H new ATOM 0 HE3 MET A 22 10.489 25.630 20.195 1.00 1.00 H new ATOM 342 N ALA A 23 4.173 23.491 20.761 1.00 1.00 N ATOM 343 CA ALA A 23 3.437 22.246 20.856 1.00 1.00 C ATOM 344 C ALA A 23 4.315 21.113 20.360 1.00 1.00 C ATOM 345 O ALA A 23 4.833 21.154 19.243 1.00 1.00 O ATOM 346 CB ALA A 23 2.153 22.301 20.004 1.00 1.00 C ATOM 0 H ALA A 23 4.563 23.661 19.834 1.00 1.00 H new ATOM 0 HA ALA A 23 3.157 22.083 21.897 1.00 1.00 H new ATOM 0 HB1 ALA A 23 1.618 21.356 20.091 1.00 1.00 H new ATOM 0 HB2 ALA A 23 1.517 23.112 20.357 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.416 22.474 18.960 1.00 1.00 H new ATOM 352 N GLY A 24 4.526 20.060 21.178 1.00 1.00 N ATOM 353 CA GLY A 24 5.482 18.995 20.874 1.00 1.00 C ATOM 354 C GLY A 24 6.902 19.504 20.830 1.00 1.00 C ATOM 355 O GLY A 24 7.495 19.810 21.862 1.00 1.00 O ATOM 0 H GLY A 24 4.036 19.932 22.063 1.00 1.00 H new ATOM 0 HA2 GLY A 24 5.402 18.210 21.626 1.00 1.00 H new ATOM 0 HA3 GLY A 24 5.229 18.544 19.915 1.00 1.00 H new ATOM 359 N GLU A 25 7.486 19.625 19.627 1.00 1.00 N ATOM 360 CA GLU A 25 8.765 20.287 19.422 1.00 1.00 C ATOM 361 C GLU A 25 8.644 21.556 18.579 1.00 1.00 C ATOM 362 O GLU A 25 9.652 22.188 18.266 1.00 1.00 O ATOM 363 CB GLU A 25 9.760 19.330 18.715 1.00 1.00 C ATOM 364 CG GLU A 25 9.963 17.998 19.475 1.00 1.00 C ATOM 365 CD GLU A 25 10.992 17.105 18.813 1.00 1.00 C ATOM 366 OE1 GLU A 25 10.798 16.711 17.633 1.00 1.00 O ATOM 367 OE2 GLU A 25 11.991 16.739 19.493 1.00 1.00 O ATOM 0 H GLU A 25 7.073 19.260 18.769 1.00 1.00 H new ATOM 0 HA GLU A 25 9.127 20.563 20.412 1.00 1.00 H new ATOM 0 HB2 GLU A 25 9.397 19.116 17.710 1.00 1.00 H new ATOM 0 HB3 GLU A 25 10.722 19.830 18.607 1.00 1.00 H new ATOM 0 HG2 GLU A 25 10.275 18.210 20.498 1.00 1.00 H new ATOM 0 HG3 GLU A 25 9.012 17.469 19.535 1.00 1.00 H new ATOM 374 N GLU A 26 7.424 21.985 18.193 1.00 1.00 N ATOM 375 CA GLU A 26 7.240 23.018 17.183 1.00 1.00 C ATOM 376 C GLU A 26 6.733 24.334 17.776 1.00 1.00 C ATOM 377 O GLU A 26 5.753 24.315 18.527 1.00 1.00 O ATOM 378 CB GLU A 26 6.203 22.582 16.116 1.00 1.00 C ATOM 379 CG GLU A 26 6.655 21.348 15.300 1.00 1.00 C ATOM 380 CD GLU A 26 5.676 20.937 14.214 1.00 1.00 C ATOM 381 OE1 GLU A 26 4.845 21.765 13.759 1.00 1.00 O ATOM 382 OE2 GLU A 26 5.721 19.745 13.803 1.00 1.00 O ATOM 0 H GLU A 26 6.552 21.621 18.577 1.00 1.00 H new ATOM 0 HA GLU A 26 8.225 23.165 16.740 1.00 1.00 H new ATOM 0 HB2 GLU A 26 5.256 22.358 16.608 1.00 1.00 H new ATOM 0 HB3 GLU A 26 6.020 23.413 15.435 1.00 1.00 H new ATOM 0 HG2 GLU A 26 7.621 21.561 14.843 1.00 1.00 H new ATOM 0 HG3 GLU A 26 6.802 20.509 15.980 1.00 1.00 H new ATOM 389 N PRO A 27 7.313 25.502 17.491 1.00 1.00 N ATOM 390 CA PRO A 27 6.733 26.782 17.884 1.00 1.00 C ATOM 391 C PRO A 27 5.566 27.195 16.995 1.00 1.00 C ATOM 392 O PRO A 27 5.618 27.032 15.772 1.00 1.00 O ATOM 393 CB PRO A 27 7.911 27.758 17.759 1.00 1.00 C ATOM 394 CG PRO A 27 8.788 27.167 16.652 1.00 1.00 C ATOM 395 CD PRO A 27 8.620 25.659 16.843 1.00 1.00 C ATOM 0 HA PRO A 27 6.305 26.750 18.886 1.00 1.00 H new ATOM 0 HB2 PRO A 27 7.569 28.760 17.501 1.00 1.00 H new ATOM 0 HB3 PRO A 27 8.459 27.840 18.698 1.00 1.00 H new ATOM 0 HG2 PRO A 27 8.459 27.487 15.663 1.00 1.00 H new ATOM 0 HG3 PRO A 27 9.829 27.473 16.756 1.00 1.00 H new ATOM 0 HD2 PRO A 27 8.653 25.134 15.888 1.00 1.00 H new ATOM 0 HD3 PRO A 27 9.419 25.248 17.460 1.00 1.00 H new ATOM 403 N LEU A 28 4.502 27.751 17.600 1.00 1.00 N ATOM 404 CA LEU A 28 3.279 28.158 16.932 1.00 1.00 C ATOM 405 C LEU A 28 3.249 29.663 16.704 1.00 1.00 C ATOM 406 O LEU A 28 4.076 30.410 17.231 1.00 1.00 O ATOM 407 CB LEU A 28 2.038 27.724 17.752 1.00 1.00 C ATOM 408 CG LEU A 28 1.959 26.205 18.027 1.00 1.00 C ATOM 409 CD1 LEU A 28 0.740 25.895 18.906 1.00 1.00 C ATOM 410 CD2 LEU A 28 1.901 25.376 16.735 1.00 1.00 C ATOM 0 H LEU A 28 4.481 27.931 18.604 1.00 1.00 H new ATOM 0 HA LEU A 28 3.254 27.663 15.961 1.00 1.00 H new ATOM 0 HB2 LEU A 28 2.042 28.254 18.704 1.00 1.00 H new ATOM 0 HB3 LEU A 28 1.139 28.033 17.219 1.00 1.00 H new ATOM 0 HG LEU A 28 2.873 25.923 18.549 1.00 1.00 H new ATOM 0 HD11 LEU A 28 0.691 24.823 19.095 1.00 1.00 H new ATOM 0 HD12 LEU A 28 0.830 26.427 19.853 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -0.168 26.215 18.395 1.00 1.00 H new ATOM 0 HD21 LEU A 28 1.847 24.316 16.985 1.00 1.00 H new ATOM 0 HD22 LEU A 28 1.019 25.659 16.160 1.00 1.00 H new ATOM 0 HD23 LEU A 28 2.796 25.563 16.142 1.00 1.00 H new ATOM 422 N GLU A 29 2.309 30.157 15.872 1.00 1.00 N ATOM 423 CA GLU A 29 2.206 31.567 15.531 1.00 1.00 C ATOM 424 C GLU A 29 0.830 32.132 15.864 1.00 1.00 C ATOM 425 O GLU A 29 -0.198 31.578 15.477 1.00 1.00 O ATOM 426 CB GLU A 29 2.511 31.772 14.024 1.00 1.00 C ATOM 427 CG GLU A 29 2.382 33.236 13.537 1.00 1.00 C ATOM 428 CD GLU A 29 2.924 33.424 12.135 1.00 1.00 C ATOM 429 OE1 GLU A 29 4.158 33.654 12.004 1.00 1.00 O ATOM 430 OE2 GLU A 29 2.131 33.396 11.158 1.00 1.00 O ATOM 0 H GLU A 29 1.602 29.575 15.422 1.00 1.00 H new ATOM 0 HA GLU A 29 2.940 32.106 16.130 1.00 1.00 H new ATOM 0 HB2 GLU A 29 3.523 31.422 13.820 1.00 1.00 H new ATOM 0 HB3 GLU A 29 1.834 31.147 13.441 1.00 1.00 H new ATOM 0 HG2 GLU A 29 1.334 33.534 13.562 1.00 1.00 H new ATOM 0 HG3 GLU A 29 2.917 33.893 14.222 1.00 1.00 H new ATOM 437 N MET A 30 0.775 33.269 16.587 1.00 1.00 N ATOM 438 CA MET A 30 -0.463 33.968 16.868 1.00 1.00 C ATOM 439 C MET A 30 -0.222 35.449 17.123 1.00 1.00 C ATOM 440 O MET A 30 0.915 35.916 17.255 1.00 1.00 O ATOM 441 CB MET A 30 -1.219 33.343 18.073 1.00 1.00 C ATOM 442 CG MET A 30 -0.472 33.406 19.422 1.00 1.00 C ATOM 443 SD MET A 30 -1.309 32.518 20.776 1.00 1.00 S ATOM 444 CE MET A 30 -0.929 30.839 20.190 1.00 1.00 C ATOM 0 H MET A 30 1.599 33.717 16.987 1.00 1.00 H new ATOM 0 HA MET A 30 -1.086 33.863 15.980 1.00 1.00 H new ATOM 0 HB2 MET A 30 -2.177 33.850 18.183 1.00 1.00 H new ATOM 0 HB3 MET A 30 -1.435 32.299 17.844 1.00 1.00 H new ATOM 0 HG2 MET A 30 0.527 32.990 19.292 1.00 1.00 H new ATOM 0 HG3 MET A 30 -0.348 34.450 19.708 1.00 1.00 H new ATOM 0 HE1 MET A 30 -1.042 30.132 21.012 1.00 1.00 H new ATOM 0 HE2 MET A 30 -1.613 30.571 19.385 1.00 1.00 H new ATOM 0 HE3 MET A 30 0.096 30.806 19.821 1.00 1.00 H new ATOM 454 N GLY A 31 -1.307 36.252 17.156 1.00 1.00 N ATOM 455 CA GLY A 31 -1.261 37.655 17.546 1.00 1.00 C ATOM 456 C GLY A 31 -1.320 37.867 19.050 1.00 1.00 C ATOM 457 O GLY A 31 -1.542 36.928 19.818 1.00 1.00 O ATOM 0 H GLY A 31 -2.243 35.930 16.908 1.00 1.00 H new ATOM 0 HA2 GLY A 31 -0.345 38.102 17.159 1.00 1.00 H new ATOM 0 HA3 GLY A 31 -2.094 38.181 17.080 1.00 1.00 H new ATOM 461 N PRO A 32 -1.175 39.097 19.523 1.00 1.00 N ATOM 462 CA PRO A 32 -0.942 39.356 20.943 1.00 1.00 C ATOM 463 C PRO A 32 -2.221 39.304 21.757 1.00 1.00 C ATOM 464 O PRO A 32 -2.167 38.900 22.920 1.00 1.00 O ATOM 465 CB PRO A 32 -0.304 40.758 20.964 1.00 1.00 C ATOM 466 CG PRO A 32 -0.750 41.408 19.652 1.00 1.00 C ATOM 467 CD PRO A 32 -0.775 40.229 18.687 1.00 1.00 C ATOM 0 HA PRO A 32 -0.304 38.599 21.399 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -0.642 41.334 21.826 1.00 1.00 H new ATOM 0 HB3 PRO A 32 0.783 40.698 21.027 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -1.730 41.877 19.745 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -0.056 42.183 19.327 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.481 40.394 17.873 1.00 1.00 H new ATOM 0 HD3 PRO A 32 0.202 40.064 18.232 1.00 1.00 H new ATOM 475 N THR A 33 -3.387 39.691 21.194 1.00 1.00 N ATOM 476 CA THR A 33 -4.691 39.600 21.867 1.00 1.00 C ATOM 477 C THR A 33 -5.080 38.153 22.102 1.00 1.00 C ATOM 478 O THR A 33 -5.639 37.773 23.133 1.00 1.00 O ATOM 479 CB THR A 33 -5.826 40.291 21.115 1.00 1.00 C ATOM 480 OG1 THR A 33 -5.417 41.584 20.698 1.00 1.00 O ATOM 481 CG2 THR A 33 -7.053 40.492 22.013 1.00 1.00 C ATOM 0 H THR A 33 -3.444 40.078 20.252 1.00 1.00 H new ATOM 0 HA THR A 33 -4.557 40.123 22.814 1.00 1.00 H new ATOM 0 HB THR A 33 -6.076 39.653 20.267 1.00 1.00 H new ATOM 0 HG1 THR A 33 -6.150 42.019 20.215 1.00 1.00 H new ATOM 0 HG21 THR A 33 -7.842 40.986 21.446 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.410 39.524 22.363 1.00 1.00 H new ATOM 0 HG23 THR A 33 -6.780 41.109 22.869 1.00 1.00 H new ATOM 489 N GLU A 34 -4.744 37.288 21.123 1.00 1.00 N ATOM 490 CA GLU A 34 -4.933 35.853 21.183 1.00 1.00 C ATOM 491 C GLU A 34 -4.124 35.215 22.310 1.00 1.00 C ATOM 492 O GLU A 34 -4.620 34.398 23.085 1.00 1.00 O ATOM 493 CB GLU A 34 -4.589 35.181 19.821 1.00 1.00 C ATOM 494 CG GLU A 34 -4.923 35.987 18.526 1.00 1.00 C ATOM 495 CD GLU A 34 -6.377 36.370 18.289 1.00 1.00 C ATOM 496 OE1 GLU A 34 -7.267 36.081 19.123 1.00 1.00 O ATOM 497 OE2 GLU A 34 -6.648 37.017 17.242 1.00 1.00 O ATOM 0 H GLU A 34 -4.321 37.595 20.247 1.00 1.00 H new ATOM 0 HA GLU A 34 -5.988 35.684 21.396 1.00 1.00 H new ATOM 0 HB2 GLU A 34 -3.522 34.957 19.814 1.00 1.00 H new ATOM 0 HB3 GLU A 34 -5.115 34.228 19.771 1.00 1.00 H new ATOM 0 HG2 GLU A 34 -4.332 36.903 18.539 1.00 1.00 H new ATOM 0 HG3 GLU A 34 -4.586 35.402 17.670 1.00 1.00 H new ATOM 504 N PHE A 35 -2.853 35.652 22.468 1.00 1.00 N ATOM 505 CA PHE A 35 -1.974 35.257 23.555 1.00 1.00 C ATOM 506 C PHE A 35 -2.514 35.638 24.937 1.00 1.00 C ATOM 507 O PHE A 35 -2.484 34.826 25.863 1.00 1.00 O ATOM 508 CB PHE A 35 -0.556 35.856 23.323 1.00 1.00 C ATOM 509 CG PHE A 35 0.463 35.258 24.260 1.00 1.00 C ATOM 510 CD1 PHE A 35 1.094 34.045 23.944 1.00 1.00 C ATOM 511 CD2 PHE A 35 0.768 35.888 25.480 1.00 1.00 C ATOM 512 CE1 PHE A 35 2.002 33.462 24.837 1.00 1.00 C ATOM 513 CE2 PHE A 35 1.667 35.303 26.381 1.00 1.00 C ATOM 514 CZ PHE A 35 2.280 34.085 26.059 1.00 1.00 C ATOM 0 H PHE A 35 -2.415 36.305 21.818 1.00 1.00 H new ATOM 0 HA PHE A 35 -1.918 34.168 23.549 1.00 1.00 H new ATOM 0 HB2 PHE A 35 -0.250 35.678 22.292 1.00 1.00 H new ATOM 0 HB3 PHE A 35 -0.590 36.936 23.464 1.00 1.00 H new ATOM 0 HD1 PHE A 35 0.878 33.557 23.005 1.00 1.00 H new ATOM 0 HD2 PHE A 35 0.304 36.832 25.725 1.00 1.00 H new ATOM 0 HE1 PHE A 35 2.488 32.532 24.583 1.00 1.00 H new ATOM 0 HE2 PHE A 35 1.887 35.789 27.320 1.00 1.00 H new ATOM 0 HZ PHE A 35 2.968 33.627 26.754 1.00 1.00 H new ATOM 524 N LYS A 36 -3.076 36.860 25.108 1.00 1.00 N ATOM 525 CA LYS A 36 -3.656 37.286 26.378 1.00 1.00 C ATOM 526 C LYS A 36 -4.805 36.400 26.847 1.00 1.00 C ATOM 527 O LYS A 36 -4.868 36.006 28.013 1.00 1.00 O ATOM 528 CB LYS A 36 -4.213 38.735 26.340 1.00 1.00 C ATOM 529 CG LYS A 36 -3.163 39.843 26.177 1.00 1.00 C ATOM 530 CD LYS A 36 -3.711 41.241 26.542 1.00 1.00 C ATOM 531 CE LYS A 36 -4.875 41.718 25.662 1.00 1.00 C ATOM 532 NZ LYS A 36 -5.372 43.034 26.106 1.00 1.00 N ATOM 0 H LYS A 36 -3.133 37.562 24.370 1.00 1.00 H new ATOM 0 HA LYS A 36 -2.815 37.215 27.068 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -4.926 38.810 25.519 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -4.768 38.917 27.261 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -2.303 39.618 26.807 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -2.809 39.854 25.146 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -4.039 41.229 27.581 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -2.899 41.965 26.473 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -4.548 41.781 24.624 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -5.685 40.989 25.698 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -5.688 43.582 25.281 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -6.170 42.901 26.760 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -4.609 43.548 26.591 1.00 1.00 H new ATOM 546 N LEU A 37 -5.730 36.041 25.933 1.00 1.00 N ATOM 547 CA LEU A 37 -6.813 35.116 26.230 1.00 1.00 C ATOM 548 C LEU A 37 -6.325 33.708 26.561 1.00 1.00 C ATOM 549 O LEU A 37 -6.763 33.083 27.524 1.00 1.00 O ATOM 550 CB LEU A 37 -7.815 35.078 25.051 1.00 1.00 C ATOM 551 CG LEU A 37 -9.064 34.192 25.261 1.00 1.00 C ATOM 552 CD1 LEU A 37 -9.886 34.594 26.495 1.00 1.00 C ATOM 553 CD2 LEU A 37 -9.959 34.217 24.014 1.00 1.00 C ATOM 0 H LEU A 37 -5.736 36.390 24.975 1.00 1.00 H new ATOM 0 HA LEU A 37 -7.311 35.488 27.125 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -8.145 36.096 24.846 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -7.289 34.728 24.163 1.00 1.00 H new ATOM 0 HG LEU A 37 -8.696 33.181 25.433 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -10.749 33.935 26.588 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -9.267 34.509 27.388 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -10.226 35.624 26.386 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -10.833 33.588 24.181 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -10.281 35.240 23.817 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -9.400 33.841 23.157 1.00 1.00 H new ATOM 565 N LEU A 38 -5.349 33.190 25.791 1.00 1.00 N ATOM 566 CA LEU A 38 -4.750 31.882 26.020 1.00 1.00 C ATOM 567 C LEU A 38 -4.022 31.758 27.354 1.00 1.00 C ATOM 568 O LEU A 38 -4.182 30.780 28.083 1.00 1.00 O ATOM 569 CB LEU A 38 -3.782 31.519 24.870 1.00 1.00 C ATOM 570 CG LEU A 38 -3.171 30.099 24.940 1.00 1.00 C ATOM 571 CD1 LEU A 38 -4.231 28.984 24.957 1.00 1.00 C ATOM 572 CD2 LEU A 38 -2.194 29.885 23.776 1.00 1.00 C ATOM 0 H LEU A 38 -4.958 33.681 24.987 1.00 1.00 H new ATOM 0 HA LEU A 38 -5.584 31.181 26.051 1.00 1.00 H new ATOM 0 HB2 LEU A 38 -4.314 31.621 23.924 1.00 1.00 H new ATOM 0 HB3 LEU A 38 -2.970 32.246 24.859 1.00 1.00 H new ATOM 0 HG LEU A 38 -2.636 30.035 25.888 1.00 1.00 H new ATOM 0 HD11 LEU A 38 -3.737 28.013 25.007 1.00 1.00 H new ATOM 0 HD12 LEU A 38 -4.876 29.108 25.827 1.00 1.00 H new ATOM 0 HD13 LEU A 38 -4.832 29.039 24.049 1.00 1.00 H new ATOM 0 HD21 LEU A 38 -1.771 28.882 23.836 1.00 1.00 H new ATOM 0 HD22 LEU A 38 -2.724 29.999 22.830 1.00 1.00 H new ATOM 0 HD23 LEU A 38 -1.392 30.621 23.834 1.00 1.00 H new ATOM 584 N HIS A 39 -3.235 32.782 27.743 1.00 1.00 N ATOM 585 CA HIS A 39 -2.581 32.843 29.044 1.00 1.00 C ATOM 586 C HIS A 39 -3.582 32.859 30.197 1.00 1.00 C ATOM 587 O HIS A 39 -3.402 32.174 31.205 1.00 1.00 O ATOM 588 CB HIS A 39 -1.657 34.080 29.124 1.00 1.00 C ATOM 589 CG HIS A 39 -0.806 34.178 30.361 1.00 1.00 C ATOM 590 ND1 HIS A 39 -0.308 35.420 30.702 1.00 1.00 N ATOM 591 CD2 HIS A 39 -0.366 33.237 31.239 1.00 1.00 C ATOM 592 CE1 HIS A 39 0.427 35.212 31.781 1.00 1.00 C ATOM 593 NE2 HIS A 39 0.424 33.910 32.149 1.00 1.00 N ATOM 0 H HIS A 39 -3.041 33.590 27.151 1.00 1.00 H new ATOM 0 HA HIS A 39 -1.984 31.937 29.145 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -1.001 34.078 28.253 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -2.273 34.976 29.057 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -0.589 32.180 31.227 1.00 1.00 H new ATOM 0 HE1 HIS A 39 0.965 35.988 32.305 1.00 1.00 H new ATOM 0 HE2 HIS A 39 0.912 33.503 32.947 1.00 1.00 H new ATOM 601 N PHE A 40 -4.699 33.602 30.046 1.00 1.00 N ATOM 602 CA PHE A 40 -5.809 33.603 30.986 1.00 1.00 C ATOM 603 C PHE A 40 -6.475 32.226 31.110 1.00 1.00 C ATOM 604 O PHE A 40 -6.730 31.740 32.208 1.00 1.00 O ATOM 605 CB PHE A 40 -6.833 34.696 30.568 1.00 1.00 C ATOM 606 CG PHE A 40 -7.843 34.970 31.651 1.00 1.00 C ATOM 607 CD1 PHE A 40 -7.465 35.664 32.812 1.00 1.00 C ATOM 608 CD2 PHE A 40 -9.172 34.530 31.520 1.00 1.00 C ATOM 609 CE1 PHE A 40 -8.394 35.904 33.833 1.00 1.00 C ATOM 610 CE2 PHE A 40 -10.103 34.771 32.539 1.00 1.00 C ATOM 611 CZ PHE A 40 -9.710 35.449 33.700 1.00 1.00 C ATOM 0 H PHE A 40 -4.844 34.224 29.250 1.00 1.00 H new ATOM 0 HA PHE A 40 -5.418 33.835 31.977 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -6.302 35.617 30.327 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -7.350 34.380 29.662 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -6.449 36.016 32.919 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -9.477 34.003 30.628 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -8.094 36.440 34.722 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -11.123 34.434 32.429 1.00 1.00 H new ATOM 0 HZ PHE A 40 -10.423 35.620 34.493 1.00 1.00 H new ATOM 621 N PHE A 41 -6.722 31.524 29.986 1.00 1.00 N ATOM 622 CA PHE A 41 -7.216 30.155 29.998 1.00 1.00 C ATOM 623 C PHE A 41 -6.283 29.144 30.667 1.00 1.00 C ATOM 624 O PHE A 41 -6.713 28.332 31.481 1.00 1.00 O ATOM 625 CB PHE A 41 -7.493 29.657 28.552 1.00 1.00 C ATOM 626 CG PHE A 41 -8.782 30.156 27.945 1.00 1.00 C ATOM 627 CD1 PHE A 41 -9.983 30.244 28.678 1.00 1.00 C ATOM 628 CD2 PHE A 41 -8.820 30.427 26.566 1.00 1.00 C ATOM 629 CE1 PHE A 41 -11.178 30.623 28.052 1.00 1.00 C ATOM 630 CE2 PHE A 41 -10.016 30.788 25.934 1.00 1.00 C ATOM 631 CZ PHE A 41 -11.195 30.895 26.681 1.00 1.00 C ATOM 0 H PHE A 41 -6.581 31.901 29.049 1.00 1.00 H new ATOM 0 HA PHE A 41 -8.129 30.203 30.592 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -6.665 29.963 27.913 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -7.508 28.567 28.555 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -9.982 30.017 29.734 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.912 30.356 25.985 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -12.087 30.705 28.629 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -10.029 30.984 24.872 1.00 1.00 H new ATOM 0 HZ PHE A 41 -12.116 31.187 26.199 1.00 1.00 H new ATOM 641 N MET A 42 -4.964 29.180 30.393 1.00 1.00 N ATOM 642 CA MET A 42 -4.020 28.223 30.962 1.00 1.00 C ATOM 643 C MET A 42 -3.701 28.484 32.434 1.00 1.00 C ATOM 644 O MET A 42 -3.243 27.604 33.164 1.00 1.00 O ATOM 645 CB MET A 42 -2.711 28.203 30.140 1.00 1.00 C ATOM 646 CG MET A 42 -2.915 27.631 28.720 1.00 1.00 C ATOM 647 SD MET A 42 -1.420 27.549 27.684 1.00 1.00 S ATOM 648 CE MET A 42 -0.570 26.186 28.532 1.00 1.00 C ATOM 0 H MET A 42 -4.535 29.870 29.776 1.00 1.00 H new ATOM 0 HA MET A 42 -4.509 27.250 30.912 1.00 1.00 H new ATOM 0 HB2 MET A 42 -2.316 29.216 30.067 1.00 1.00 H new ATOM 0 HB3 MET A 42 -1.965 27.607 30.665 1.00 1.00 H new ATOM 0 HG2 MET A 42 -3.330 26.627 28.808 1.00 1.00 H new ATOM 0 HG3 MET A 42 -3.659 28.239 28.206 1.00 1.00 H new ATOM 0 HE1 MET A 42 0.297 25.879 27.948 1.00 1.00 H new ATOM 0 HE2 MET A 42 -0.244 26.518 29.518 1.00 1.00 H new ATOM 0 HE3 MET A 42 -1.252 25.343 28.640 1.00 1.00 H new ATOM 658 N THR A 43 -3.998 29.695 32.938 1.00 1.00 N ATOM 659 CA THR A 43 -3.889 30.016 34.361 1.00 1.00 C ATOM 660 C THR A 43 -5.222 29.828 35.062 1.00 1.00 C ATOM 661 O THR A 43 -5.331 29.987 36.278 1.00 1.00 O ATOM 662 CB THR A 43 -3.388 31.432 34.631 1.00 1.00 C ATOM 663 OG1 THR A 43 -4.075 32.409 33.859 1.00 1.00 O ATOM 664 CG2 THR A 43 -1.903 31.533 34.254 1.00 1.00 C ATOM 0 H THR A 43 -4.320 30.475 32.365 1.00 1.00 H new ATOM 0 HA THR A 43 -3.148 29.322 34.757 1.00 1.00 H new ATOM 0 HB THR A 43 -3.559 31.624 35.690 1.00 1.00 H new ATOM 0 HG1 THR A 43 -3.850 32.295 32.912 1.00 1.00 H new ATOM 0 HG21 THR A 43 -1.547 32.545 34.447 1.00 1.00 H new ATOM 0 HG22 THR A 43 -1.327 30.825 34.850 1.00 1.00 H new ATOM 0 HG23 THR A 43 -1.780 31.301 33.196 1.00 1.00 H new ATOM 672 N HIS A 44 -6.271 29.422 34.314 1.00 1.00 N ATOM 673 CA HIS A 44 -7.576 29.101 34.871 1.00 1.00 C ATOM 674 C HIS A 44 -8.231 27.882 34.198 1.00 1.00 C ATOM 675 O HIS A 44 -9.300 28.038 33.599 1.00 1.00 O ATOM 676 CB HIS A 44 -8.527 30.318 34.714 1.00 1.00 C ATOM 677 CG HIS A 44 -8.029 31.577 35.379 1.00 1.00 C ATOM 678 ND1 HIS A 44 -7.481 32.707 34.871 1.00 1.00 N flip ATOM 679 CD2 HIS A 44 -8.045 31.723 36.736 1.00 1.00 C flip ATOM 680 CE1 HIS A 44 -7.169 33.508 35.938 1.00 1.00 C flip ATOM 681 NE2 HIS A 44 -7.523 32.897 37.054 1.00 1.00 N flip ATOM 0 H HIS A 44 -6.222 29.311 33.301 1.00 1.00 H new ATOM 0 HA HIS A 44 -7.415 28.859 35.921 1.00 1.00 H new ATOM 0 HB2 HIS A 44 -8.676 30.515 33.652 1.00 1.00 H new ATOM 0 HB3 HIS A 44 -9.501 30.061 35.130 1.00 1.00 H new ATOM 0 HD1 HIS A 44 -7.330 32.920 33.885 1.00 1.00 H new ATOM 0 HD2 HIS A 44 -8.424 30.996 37.439 1.00 1.00 H new ATOM 0 HE1 HIS A 44 -6.708 34.483 35.876 1.00 1.00 H new ATOM 690 N PRO A 45 -7.690 26.658 34.242 1.00 1.00 N ATOM 691 CA PRO A 45 -8.285 25.486 33.599 1.00 1.00 C ATOM 692 C PRO A 45 -9.439 24.916 34.414 1.00 1.00 C ATOM 693 O PRO A 45 -9.464 25.052 35.639 1.00 1.00 O ATOM 694 CB PRO A 45 -7.116 24.487 33.558 1.00 1.00 C ATOM 695 CG PRO A 45 -6.327 24.802 34.831 1.00 1.00 C ATOM 696 CD PRO A 45 -6.429 26.326 34.915 1.00 1.00 C ATOM 0 HA PRO A 45 -8.707 25.716 32.621 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -7.470 23.456 33.551 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -6.506 24.621 32.665 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -6.759 24.317 35.707 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -5.292 24.468 34.760 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -6.433 26.665 35.951 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -5.582 26.806 34.426 1.00 1.00 H new ATOM 704 N GLU A 46 -10.419 24.289 33.736 1.00 1.00 N ATOM 705 CA GLU A 46 -11.621 23.684 34.291 1.00 1.00 C ATOM 706 C GLU A 46 -12.540 24.712 34.952 1.00 1.00 C ATOM 707 O GLU A 46 -13.160 24.460 35.981 1.00 1.00 O ATOM 708 CB GLU A 46 -11.353 22.488 35.252 1.00 1.00 C ATOM 709 CG GLU A 46 -10.184 21.529 34.887 1.00 1.00 C ATOM 710 CD GLU A 46 -10.297 20.764 33.582 1.00 1.00 C ATOM 711 OE1 GLU A 46 -11.419 20.412 33.131 1.00 1.00 O ATOM 712 OE2 GLU A 46 -9.224 20.409 33.027 1.00 1.00 O ATOM 0 H GLU A 46 -10.379 24.191 32.721 1.00 1.00 H new ATOM 0 HA GLU A 46 -12.136 23.269 33.424 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -11.161 22.891 36.247 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -12.266 21.897 35.318 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.264 22.113 34.858 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -10.076 20.805 35.695 1.00 1.00 H new ATOM 719 N ARG A 47 -12.639 25.918 34.363 1.00 1.00 N ATOM 720 CA ARG A 47 -13.309 27.059 34.961 1.00 1.00 C ATOM 721 C ARG A 47 -14.142 27.766 33.912 1.00 1.00 C ATOM 722 O ARG A 47 -13.639 28.116 32.843 1.00 1.00 O ATOM 723 CB ARG A 47 -12.238 28.050 35.489 1.00 1.00 C ATOM 724 CG ARG A 47 -12.746 29.195 36.393 1.00 1.00 C ATOM 725 CD ARG A 47 -13.350 28.781 37.744 1.00 1.00 C ATOM 726 NE ARG A 47 -12.334 27.929 38.432 1.00 1.00 N ATOM 727 CZ ARG A 47 -12.223 27.743 39.753 1.00 1.00 C ATOM 728 NH1 ARG A 47 -13.028 28.313 40.635 1.00 1.00 N ATOM 729 NH2 ARG A 47 -11.216 26.983 40.171 1.00 1.00 N ATOM 0 H ARG A 47 -12.245 26.117 33.443 1.00 1.00 H new ATOM 0 HA ARG A 47 -13.950 26.719 35.775 1.00 1.00 H new ATOM 0 HB2 ARG A 47 -11.492 27.482 36.044 1.00 1.00 H new ATOM 0 HB3 ARG A 47 -11.730 28.492 34.632 1.00 1.00 H new ATOM 0 HG2 ARG A 47 -11.915 29.874 36.584 1.00 1.00 H new ATOM 0 HG3 ARG A 47 -13.498 29.759 35.841 1.00 1.00 H new ATOM 0 HD2 ARG A 47 -13.589 29.658 38.345 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -14.280 28.231 37.599 1.00 1.00 H new ATOM 0 HE ARG A 47 -11.661 27.443 37.839 1.00 1.00 H new ATOM 0 HH11 ARG A 47 -13.777 28.928 40.318 1.00 1.00 H new ATOM 0 HH12 ARG A 47 -12.899 28.137 41.631 1.00 1.00 H new ATOM 0 HH21 ARG A 47 -10.572 26.573 39.495 1.00 1.00 H new ATOM 0 HH22 ARG A 47 -11.087 26.810 41.168 1.00 1.00 H new ATOM 743 N VAL A 48 -15.443 27.996 34.166 1.00 1.00 N ATOM 744 CA VAL A 48 -16.330 28.575 33.173 1.00 1.00 C ATOM 745 C VAL A 48 -16.401 30.088 33.310 1.00 1.00 C ATOM 746 O VAL A 48 -16.620 30.653 34.386 1.00 1.00 O ATOM 747 CB VAL A 48 -17.731 27.978 33.190 1.00 1.00 C ATOM 748 CG1 VAL A 48 -18.557 28.459 31.976 1.00 1.00 C ATOM 749 CG2 VAL A 48 -17.630 26.438 33.160 1.00 1.00 C ATOM 0 H VAL A 48 -15.893 27.785 35.057 1.00 1.00 H new ATOM 0 HA VAL A 48 -15.892 28.324 32.207 1.00 1.00 H new ATOM 0 HB VAL A 48 -18.233 28.306 34.100 1.00 1.00 H new ATOM 0 HG11 VAL A 48 -19.552 28.017 32.015 1.00 1.00 H new ATOM 0 HG12 VAL A 48 -18.642 29.545 32.001 1.00 1.00 H new ATOM 0 HG13 VAL A 48 -18.061 28.155 31.055 1.00 1.00 H new ATOM 0 HG21 VAL A 48 -18.631 26.007 33.172 1.00 1.00 H new ATOM 0 HG22 VAL A 48 -17.111 26.125 32.254 1.00 1.00 H new ATOM 0 HG23 VAL A 48 -17.076 26.093 34.033 1.00 1.00 H new ATOM 759 N TYR A 49 -16.204 30.769 32.172 1.00 1.00 N ATOM 760 CA TYR A 49 -16.243 32.209 32.028 1.00 1.00 C ATOM 761 C TYR A 49 -17.159 32.538 30.875 1.00 1.00 C ATOM 762 O TYR A 49 -17.063 31.969 29.788 1.00 1.00 O ATOM 763 CB TYR A 49 -14.856 32.826 31.707 1.00 1.00 C ATOM 764 CG TYR A 49 -13.911 32.733 32.872 1.00 1.00 C ATOM 765 CD1 TYR A 49 -14.178 33.402 34.079 1.00 1.00 C ATOM 766 CD2 TYR A 49 -12.706 32.025 32.746 1.00 1.00 C ATOM 767 CE1 TYR A 49 -13.259 33.364 35.140 1.00 1.00 C ATOM 768 CE2 TYR A 49 -11.795 31.972 33.807 1.00 1.00 C ATOM 769 CZ TYR A 49 -12.066 32.647 35.001 1.00 1.00 C ATOM 770 OH TYR A 49 -11.117 32.609 36.041 1.00 1.00 O ATOM 0 H TYR A 49 -16.004 30.296 31.291 1.00 1.00 H new ATOM 0 HA TYR A 49 -16.585 32.622 32.977 1.00 1.00 H new ATOM 0 HB2 TYR A 49 -14.422 32.314 30.848 1.00 1.00 H new ATOM 0 HB3 TYR A 49 -14.981 33.872 31.425 1.00 1.00 H new ATOM 0 HD1 TYR A 49 -15.101 33.952 34.192 1.00 1.00 H new ATOM 0 HD2 TYR A 49 -12.479 31.516 31.821 1.00 1.00 H new ATOM 0 HE1 TYR A 49 -13.473 33.887 36.061 1.00 1.00 H new ATOM 0 HE2 TYR A 49 -10.880 31.408 33.703 1.00 1.00 H new ATOM 0 HH TYR A 49 -11.574 32.691 36.904 1.00 1.00 H new ATOM 780 N SER A 50 -18.076 33.490 31.103 1.00 1.00 N ATOM 781 CA SER A 50 -18.906 34.110 30.089 1.00 1.00 C ATOM 782 C SER A 50 -18.103 35.082 29.245 1.00 1.00 C ATOM 783 O SER A 50 -17.001 35.492 29.609 1.00 1.00 O ATOM 784 CB SER A 50 -20.103 34.862 30.731 1.00 1.00 C ATOM 785 OG SER A 50 -19.656 35.804 31.714 1.00 1.00 O ATOM 0 H SER A 50 -18.258 33.855 32.038 1.00 1.00 H new ATOM 0 HA SER A 50 -19.285 33.311 29.451 1.00 1.00 H new ATOM 0 HB2 SER A 50 -20.667 35.381 29.956 1.00 1.00 H new ATOM 0 HB3 SER A 50 -20.781 34.144 31.193 1.00 1.00 H new ATOM 0 HG SER A 50 -20.430 36.265 32.101 1.00 1.00 H new ATOM 791 N ARG A 51 -18.644 35.510 28.084 1.00 1.00 N ATOM 792 CA ARG A 51 -18.015 36.520 27.244 1.00 1.00 C ATOM 793 C ARG A 51 -17.832 37.834 27.980 1.00 1.00 C ATOM 794 O ARG A 51 -16.793 38.475 27.866 1.00 1.00 O ATOM 795 CB ARG A 51 -18.826 36.768 25.951 1.00 1.00 C ATOM 796 CG ARG A 51 -18.840 35.536 25.035 1.00 1.00 C ATOM 797 CD ARG A 51 -19.922 35.582 23.956 1.00 1.00 C ATOM 798 NE ARG A 51 -19.790 34.325 23.172 1.00 1.00 N ATOM 799 CZ ARG A 51 -20.225 33.124 23.567 1.00 1.00 C ATOM 800 NH1 ARG A 51 -20.917 32.925 24.687 1.00 1.00 N ATOM 801 NH2 ARG A 51 -20.012 32.058 22.799 1.00 1.00 N ATOM 0 H ARG A 51 -19.527 35.158 27.714 1.00 1.00 H new ATOM 0 HA ARG A 51 -17.033 36.129 26.979 1.00 1.00 H new ATOM 0 HB2 ARG A 51 -19.850 37.038 26.211 1.00 1.00 H new ATOM 0 HB3 ARG A 51 -18.400 37.615 25.413 1.00 1.00 H new ATOM 0 HG2 ARG A 51 -17.866 35.440 24.556 1.00 1.00 H new ATOM 0 HG3 ARG A 51 -18.985 34.644 25.644 1.00 1.00 H new ATOM 0 HD2 ARG A 51 -20.913 35.658 24.403 1.00 1.00 H new ATOM 0 HD3 ARG A 51 -19.794 36.454 23.315 1.00 1.00 H new ATOM 0 HE ARG A 51 -19.332 34.384 22.262 1.00 1.00 H new ATOM 0 HH11 ARG A 51 -21.141 33.713 25.295 1.00 1.00 H new ATOM 0 HH12 ARG A 51 -21.223 31.985 24.937 1.00 1.00 H new ATOM 0 HH21 ARG A 51 -19.518 32.159 21.912 1.00 1.00 H new ATOM 0 HH22 ARG A 51 -20.342 31.140 23.097 1.00 1.00 H new ATOM 815 N GLU A 52 -18.813 38.216 28.816 1.00 1.00 N ATOM 816 CA GLU A 52 -18.738 39.357 29.709 1.00 1.00 C ATOM 817 C GLU A 52 -17.564 39.292 30.688 1.00 1.00 C ATOM 818 O GLU A 52 -16.826 40.266 30.838 1.00 1.00 O ATOM 819 CB GLU A 52 -20.084 39.473 30.466 1.00 1.00 C ATOM 820 CG GLU A 52 -20.226 40.727 31.361 1.00 1.00 C ATOM 821 CD GLU A 52 -21.628 40.862 31.929 1.00 1.00 C ATOM 822 OE1 GLU A 52 -22.595 40.979 31.129 1.00 1.00 O ATOM 823 OE2 GLU A 52 -21.788 40.866 33.183 1.00 1.00 O ATOM 0 H GLU A 52 -19.700 37.717 28.881 1.00 1.00 H new ATOM 0 HA GLU A 52 -18.557 40.246 29.104 1.00 1.00 H new ATOM 0 HB2 GLU A 52 -20.895 39.472 29.737 1.00 1.00 H new ATOM 0 HB3 GLU A 52 -20.212 38.586 31.087 1.00 1.00 H new ATOM 0 HG2 GLU A 52 -19.507 40.673 32.178 1.00 1.00 H new ATOM 0 HG3 GLU A 52 -19.982 41.617 30.780 1.00 1.00 H new ATOM 830 N GLN A 53 -17.292 38.128 31.331 1.00 1.00 N ATOM 831 CA GLN A 53 -16.133 37.984 32.200 1.00 1.00 C ATOM 832 C GLN A 53 -14.815 38.058 31.433 1.00 1.00 C ATOM 833 O GLN A 53 -13.858 38.710 31.848 1.00 1.00 O ATOM 834 CB GLN A 53 -16.225 36.673 33.020 1.00 1.00 C ATOM 835 CG GLN A 53 -17.368 36.716 34.064 1.00 1.00 C ATOM 836 CD GLN A 53 -17.510 35.385 34.803 1.00 1.00 C ATOM 837 OE1 GLN A 53 -16.766 35.080 35.743 1.00 1.00 O ATOM 838 NE2 GLN A 53 -18.479 34.557 34.358 1.00 1.00 N ATOM 0 H GLN A 53 -17.866 37.289 31.254 1.00 1.00 H new ATOM 0 HA GLN A 53 -16.142 38.829 32.889 1.00 1.00 H new ATOM 0 HB2 GLN A 53 -16.384 35.833 32.343 1.00 1.00 H new ATOM 0 HB3 GLN A 53 -15.277 36.497 33.528 1.00 1.00 H new ATOM 0 HG2 GLN A 53 -17.174 37.512 34.783 1.00 1.00 H new ATOM 0 HG3 GLN A 53 -18.307 36.957 33.566 1.00 1.00 H new ATOM 0 HE21 GLN A 53 -19.075 34.841 33.580 1.00 1.00 H new ATOM 0 HE22 GLN A 53 -18.615 33.648 34.800 1.00 1.00 H new ATOM 847 N LEU A 54 -14.740 37.425 30.246 1.00 1.00 N ATOM 848 CA LEU A 54 -13.583 37.523 29.371 1.00 1.00 C ATOM 849 C LEU A 54 -13.316 38.932 28.852 1.00 1.00 C ATOM 850 O LEU A 54 -12.169 39.371 28.805 1.00 1.00 O ATOM 851 CB LEU A 54 -13.688 36.535 28.189 1.00 1.00 C ATOM 852 CG LEU A 54 -13.741 35.054 28.620 1.00 1.00 C ATOM 853 CD1 LEU A 54 -13.955 34.163 27.393 1.00 1.00 C ATOM 854 CD2 LEU A 54 -12.488 34.606 29.389 1.00 1.00 C ATOM 0 H LEU A 54 -15.486 36.835 29.878 1.00 1.00 H new ATOM 0 HA LEU A 54 -12.730 37.255 29.995 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.582 36.768 27.611 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -12.834 36.681 27.528 1.00 1.00 H new ATOM 0 HG LEU A 54 -14.581 34.952 29.307 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -13.992 33.119 27.704 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -14.894 34.431 26.908 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -13.132 34.305 26.693 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -12.586 33.556 29.664 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -11.608 34.735 28.758 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -12.380 35.209 30.291 1.00 1.00 H new ATOM 866 N LEU A 55 -14.362 39.705 28.492 1.00 1.00 N ATOM 867 CA LEU A 55 -14.237 41.115 28.158 1.00 1.00 C ATOM 868 C LEU A 55 -13.690 41.946 29.308 1.00 1.00 C ATOM 869 O LEU A 55 -12.752 42.720 29.120 1.00 1.00 O ATOM 870 CB LEU A 55 -15.584 41.716 27.682 1.00 1.00 C ATOM 871 CG LEU A 55 -16.037 41.239 26.284 1.00 1.00 C ATOM 872 CD1 LEU A 55 -17.445 41.758 25.965 1.00 1.00 C ATOM 873 CD2 LEU A 55 -15.058 41.671 25.185 1.00 1.00 C ATOM 0 H LEU A 55 -15.317 39.354 28.429 1.00 1.00 H new ATOM 0 HA LEU A 55 -13.519 41.157 27.339 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -16.357 41.463 28.407 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -15.500 42.803 27.672 1.00 1.00 H new ATOM 0 HG LEU A 55 -16.053 40.149 26.307 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -17.745 41.411 24.976 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -18.148 41.384 26.710 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -17.444 42.848 25.982 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -15.415 41.315 24.219 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -14.988 42.759 25.167 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -14.074 41.247 25.387 1.00 1.00 H new ATOM 885 N ASN A 56 -14.198 41.741 30.542 1.00 1.00 N ATOM 886 CA ASN A 56 -13.693 42.414 31.729 1.00 1.00 C ATOM 887 C ASN A 56 -12.218 42.119 32.013 1.00 1.00 C ATOM 888 O ASN A 56 -11.431 43.021 32.298 1.00 1.00 O ATOM 889 CB ASN A 56 -14.482 41.983 32.996 1.00 1.00 C ATOM 890 CG ASN A 56 -15.951 42.391 32.942 1.00 1.00 C ATOM 891 OD1 ASN A 56 -16.374 43.314 32.236 1.00 1.00 O ATOM 892 ND2 ASN A 56 -16.765 41.702 33.773 1.00 1.00 N ATOM 0 H ASN A 56 -14.970 41.101 30.730 1.00 1.00 H new ATOM 0 HA ASN A 56 -13.817 43.476 31.518 1.00 1.00 H new ATOM 0 HB2 ASN A 56 -14.414 40.901 33.111 1.00 1.00 H new ATOM 0 HB3 ASN A 56 -14.018 42.427 33.877 1.00 1.00 H new ATOM 0 HD21 ASN A 56 -17.756 41.939 33.829 1.00 1.00 H new ATOM 0 HD22 ASN A 56 -16.389 40.945 34.344 1.00 1.00 H new ATOM 899 N HIS A 57 -11.806 40.838 31.931 1.00 1.00 N ATOM 900 CA HIS A 57 -10.441 40.435 32.223 1.00 1.00 C ATOM 901 C HIS A 57 -9.425 40.675 31.112 1.00 1.00 C ATOM 902 O HIS A 57 -8.316 41.139 31.377 1.00 1.00 O ATOM 903 CB HIS A 57 -10.375 38.946 32.632 1.00 1.00 C ATOM 904 CG HIS A 57 -11.175 38.653 33.863 1.00 1.00 C ATOM 905 ND1 HIS A 57 -10.934 39.375 35.019 1.00 1.00 N ATOM 906 CD2 HIS A 57 -12.157 37.739 34.074 1.00 1.00 C ATOM 907 CE1 HIS A 57 -11.781 38.885 35.909 1.00 1.00 C ATOM 908 NE2 HIS A 57 -12.541 37.897 35.386 1.00 1.00 N ATOM 0 H HIS A 57 -12.417 40.067 31.661 1.00 1.00 H new ATOM 0 HA HIS A 57 -10.156 41.090 33.047 1.00 1.00 H new ATOM 0 HB2 HIS A 57 -10.741 38.330 31.810 1.00 1.00 H new ATOM 0 HB3 HIS A 57 -9.336 38.665 32.803 1.00 1.00 H new ATOM 0 HD2 HIS A 57 -12.555 37.034 33.359 1.00 1.00 H new ATOM 0 HE1 HIS A 57 -11.856 39.232 36.929 1.00 1.00 H new ATOM 0 HE2 HIS A 57 -13.264 37.367 35.873 1.00 1.00 H new ATOM 916 N VAL A 58 -9.735 40.342 29.841 1.00 1.00 N ATOM 917 CA VAL A 58 -8.742 40.355 28.769 1.00 1.00 C ATOM 918 C VAL A 58 -8.641 41.704 28.089 1.00 1.00 C ATOM 919 O VAL A 58 -7.552 42.224 27.857 1.00 1.00 O ATOM 920 CB VAL A 58 -9.032 39.271 27.735 1.00 1.00 C ATOM 921 CG1 VAL A 58 -8.047 39.313 26.548 1.00 1.00 C ATOM 922 CG2 VAL A 58 -8.925 37.909 28.440 1.00 1.00 C ATOM 0 H VAL A 58 -10.669 40.062 29.541 1.00 1.00 H new ATOM 0 HA VAL A 58 -7.781 40.149 29.240 1.00 1.00 H new ATOM 0 HB VAL A 58 -10.029 39.436 27.327 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -8.296 38.522 25.841 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -8.118 40.280 26.051 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -7.031 39.166 26.913 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -9.128 37.112 27.725 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -7.920 37.787 28.844 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -9.651 37.861 29.252 1.00 1.00 H new ATOM 932 N TRP A 59 -9.786 42.318 27.744 1.00 1.00 N ATOM 933 CA TRP A 59 -9.809 43.627 27.121 1.00 1.00 C ATOM 934 C TRP A 59 -9.741 44.728 28.164 1.00 1.00 C ATOM 935 O TRP A 59 -8.995 45.699 28.015 1.00 1.00 O ATOM 936 CB TRP A 59 -11.076 43.792 26.242 1.00 1.00 C ATOM 937 CG TRP A 59 -10.990 43.111 24.882 1.00 1.00 C ATOM 938 CD1 TRP A 59 -10.713 43.699 23.678 1.00 1.00 C ATOM 939 CD2 TRP A 59 -11.233 41.716 24.600 1.00 1.00 C ATOM 940 NE1 TRP A 59 -10.755 42.765 22.666 1.00 1.00 N ATOM 941 CE2 TRP A 59 -11.104 41.549 23.206 1.00 1.00 C ATOM 942 CE3 TRP A 59 -11.560 40.637 25.419 1.00 1.00 C ATOM 943 CZ2 TRP A 59 -11.333 40.316 22.610 1.00 1.00 C ATOM 944 CZ3 TRP A 59 -11.800 39.392 24.816 1.00 1.00 C ATOM 945 CH2 TRP A 59 -11.703 39.234 23.425 1.00 1.00 C ATOM 0 H TRP A 59 -10.710 41.913 27.894 1.00 1.00 H new ATOM 0 HA TRP A 59 -8.930 43.710 26.482 1.00 1.00 H new ATOM 0 HB2 TRP A 59 -11.933 43.391 26.782 1.00 1.00 H new ATOM 0 HB3 TRP A 59 -11.263 44.855 26.091 1.00 1.00 H new ATOM 0 HD1 TRP A 59 -10.493 44.747 23.540 1.00 1.00 H new ATOM 0 HE1 TRP A 59 -10.560 42.945 21.681 1.00 1.00 H new ATOM 0 HE3 TRP A 59 -11.627 40.755 26.490 1.00 1.00 H new ATOM 0 HZ2 TRP A 59 -11.229 40.192 21.542 1.00 1.00 H new ATOM 0 HZ3 TRP A 59 -12.063 38.544 25.431 1.00 1.00 H new ATOM 0 HH2 TRP A 59 -11.914 38.274 22.978 1.00 1.00 H new ATOM 956 N GLY A 60 -10.497 44.572 29.267 1.00 1.00 N ATOM 957 CA GLY A 60 -10.651 45.604 30.293 1.00 1.00 C ATOM 958 C GLY A 60 -12.048 46.153 30.387 1.00 1.00 C ATOM 959 O GLY A 60 -12.900 45.942 29.526 1.00 1.00 O ATOM 0 H GLY A 60 -11.019 43.719 29.466 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -10.366 45.189 31.260 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -9.961 46.421 30.081 1.00 1.00 H new ATOM 963 N THR A 61 -12.339 46.895 31.471 1.00 1.00 N ATOM 964 CA THR A 61 -13.700 47.302 31.813 1.00 1.00 C ATOM 965 C THR A 61 -14.065 48.708 31.369 1.00 1.00 C ATOM 966 O THR A 61 -15.242 49.066 31.351 1.00 1.00 O ATOM 967 CB THR A 61 -14.010 47.176 33.303 1.00 1.00 C ATOM 968 OG1 THR A 61 -13.068 47.853 34.127 1.00 1.00 O ATOM 969 CG2 THR A 61 -13.959 45.697 33.703 1.00 1.00 C ATOM 0 H THR A 61 -11.633 47.225 32.129 1.00 1.00 H new ATOM 0 HA THR A 61 -14.311 46.596 31.251 1.00 1.00 H new ATOM 0 HB THR A 61 -14.994 47.621 33.452 1.00 1.00 H new ATOM 0 HG1 THR A 61 -13.316 47.740 35.068 1.00 1.00 H new ATOM 0 HG21 THR A 61 -14.179 45.600 34.766 1.00 1.00 H new ATOM 0 HG22 THR A 61 -14.697 45.139 33.127 1.00 1.00 H new ATOM 0 HG23 THR A 61 -12.964 45.300 33.501 1.00 1.00 H new ATOM 977 N ASN A 62 -13.108 49.533 30.894 1.00 1.00 N ATOM 978 CA ASN A 62 -13.422 50.806 30.249 1.00 1.00 C ATOM 979 C ASN A 62 -13.446 50.613 28.732 1.00 1.00 C ATOM 980 O ASN A 62 -13.769 51.524 27.968 1.00 1.00 O ATOM 981 CB ASN A 62 -12.388 51.919 30.586 1.00 1.00 C ATOM 982 CG ASN A 62 -12.370 52.255 32.075 1.00 1.00 C ATOM 983 OD1 ASN A 62 -13.125 53.106 32.557 1.00 1.00 O ATOM 984 ND2 ASN A 62 -11.457 51.615 32.838 1.00 1.00 N ATOM 0 H ASN A 62 -12.110 49.330 30.950 1.00 1.00 H new ATOM 0 HA ASN A 62 -14.395 51.124 30.625 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -11.394 51.596 30.276 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -12.624 52.817 30.015 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -11.381 51.831 33.832 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -10.843 50.916 32.420 1.00 1.00 H new ATOM 991 N VAL A 63 -13.138 49.386 28.270 1.00 1.00 N ATOM 992 CA VAL A 63 -13.199 48.959 26.884 1.00 1.00 C ATOM 993 C VAL A 63 -14.565 48.336 26.619 1.00 1.00 C ATOM 994 O VAL A 63 -15.170 47.717 27.501 1.00 1.00 O ATOM 995 CB VAL A 63 -12.081 47.962 26.565 1.00 1.00 C ATOM 996 CG1 VAL A 63 -12.061 47.583 25.069 1.00 1.00 C ATOM 997 CG2 VAL A 63 -10.723 48.588 26.944 1.00 1.00 C ATOM 0 H VAL A 63 -12.827 48.640 28.893 1.00 1.00 H new ATOM 0 HA VAL A 63 -13.059 49.824 26.236 1.00 1.00 H new ATOM 0 HB VAL A 63 -12.264 47.055 27.141 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -11.254 46.874 24.884 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -13.013 47.128 24.796 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -11.902 48.479 24.469 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -9.922 47.883 26.720 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -10.572 49.503 26.372 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -10.714 48.820 28.009 1.00 1.00 H new ATOM 1007 N TYR A 64 -15.111 48.500 25.400 1.00 1.00 N ATOM 1008 CA TYR A 64 -16.378 47.904 25.018 1.00 1.00 C ATOM 1009 C TYR A 64 -16.345 47.518 23.544 1.00 1.00 C ATOM 1010 O TYR A 64 -15.793 48.229 22.708 1.00 1.00 O ATOM 1011 CB TYR A 64 -17.611 48.799 25.360 1.00 1.00 C ATOM 1012 CG TYR A 64 -17.516 50.207 24.818 1.00 1.00 C ATOM 1013 CD1 TYR A 64 -16.838 51.210 25.535 1.00 1.00 C ATOM 1014 CD2 TYR A 64 -18.131 50.545 23.600 1.00 1.00 C ATOM 1015 CE1 TYR A 64 -16.751 52.517 25.032 1.00 1.00 C ATOM 1016 CE2 TYR A 64 -18.059 51.854 23.103 1.00 1.00 C ATOM 1017 CZ TYR A 64 -17.364 52.838 23.817 1.00 1.00 C ATOM 1018 OH TYR A 64 -17.241 54.127 23.262 1.00 1.00 O ATOM 0 H TYR A 64 -14.676 49.052 24.661 1.00 1.00 H new ATOM 0 HA TYR A 64 -16.508 47.002 25.617 1.00 1.00 H new ATOM 0 HB2 TYR A 64 -18.510 48.328 24.964 1.00 1.00 H new ATOM 0 HB3 TYR A 64 -17.725 48.844 26.443 1.00 1.00 H new ATOM 0 HD1 TYR A 64 -16.379 50.971 26.483 1.00 1.00 H new ATOM 0 HD2 TYR A 64 -18.664 49.789 23.042 1.00 1.00 H new ATOM 0 HE1 TYR A 64 -16.212 53.274 25.582 1.00 1.00 H new ATOM 0 HE2 TYR A 64 -18.540 52.104 22.169 1.00 1.00 H new ATOM 0 HH TYR A 64 -17.732 54.167 22.415 1.00 1.00 H new ATOM 1028 N VAL A 65 -16.929 46.352 23.209 1.00 1.00 N ATOM 1029 CA VAL A 65 -16.993 45.758 21.880 1.00 1.00 C ATOM 1030 C VAL A 65 -18.214 44.860 21.917 1.00 1.00 C ATOM 1031 O VAL A 65 -18.790 44.627 22.984 1.00 1.00 O ATOM 1032 CB VAL A 65 -15.789 44.908 21.451 1.00 1.00 C ATOM 1033 CG1 VAL A 65 -14.594 45.793 21.092 1.00 1.00 C ATOM 1034 CG2 VAL A 65 -15.348 43.906 22.522 1.00 1.00 C ATOM 0 H VAL A 65 -17.394 45.773 23.908 1.00 1.00 H new ATOM 0 HA VAL A 65 -17.018 46.572 21.156 1.00 1.00 H new ATOM 0 HB VAL A 65 -16.123 44.347 20.578 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -13.754 45.166 20.792 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -14.865 46.455 20.270 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -14.310 46.389 21.959 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -14.493 43.336 22.157 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -15.067 44.442 23.428 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -16.170 43.225 22.744 1.00 1.00 H new ATOM 1044 N GLU A 66 -18.656 44.321 20.759 1.00 1.00 N ATOM 1045 CA GLU A 66 -19.705 43.327 20.709 1.00 1.00 C ATOM 1046 C GLU A 66 -19.213 42.002 21.263 1.00 1.00 C ATOM 1047 O GLU A 66 -18.019 41.702 21.288 1.00 1.00 O ATOM 1048 CB GLU A 66 -20.262 43.115 19.275 1.00 1.00 C ATOM 1049 CG GLU A 66 -20.835 44.392 18.610 1.00 1.00 C ATOM 1050 CD GLU A 66 -21.970 45.022 19.411 1.00 1.00 C ATOM 1051 OE1 GLU A 66 -21.880 46.015 20.115 1.00 1.00 O ATOM 1052 OE2 GLU A 66 -23.165 44.368 19.273 1.00 1.00 O ATOM 0 H GLU A 66 -18.284 44.575 19.844 1.00 1.00 H new ATOM 0 HA GLU A 66 -20.519 43.706 21.326 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -19.465 42.719 18.645 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -21.045 42.358 19.312 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -20.035 45.122 18.488 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -21.196 44.145 17.612 1.00 1.00 H new ATOM 1060 N ASP A 67 -20.145 41.148 21.711 1.00 1.00 N ATOM 1061 CA ASP A 67 -19.894 39.876 22.347 1.00 1.00 C ATOM 1062 C ASP A 67 -19.222 38.912 21.381 1.00 1.00 C ATOM 1063 O ASP A 67 -18.403 38.072 21.744 1.00 1.00 O ATOM 1064 CB ASP A 67 -21.230 39.337 22.940 1.00 1.00 C ATOM 1065 CG ASP A 67 -22.419 39.384 21.994 1.00 1.00 C ATOM 1066 OD1 ASP A 67 -22.744 40.467 21.444 1.00 1.00 O ATOM 1067 OD2 ASP A 67 -23.082 38.328 21.825 1.00 1.00 O ATOM 0 H ASP A 67 -21.141 41.350 21.628 1.00 1.00 H new ATOM 0 HA ASP A 67 -19.193 39.994 23.173 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -21.079 38.305 23.258 1.00 1.00 H new ATOM 0 HB3 ASP A 67 -21.472 39.914 23.833 1.00 1.00 H new ATOM 1072 N ARG A 68 -19.514 39.107 20.088 1.00 1.00 N ATOM 1073 CA ARG A 68 -19.031 38.338 18.978 1.00 1.00 C ATOM 1074 C ARG A 68 -17.570 38.595 18.641 1.00 1.00 C ATOM 1075 O ARG A 68 -16.925 37.789 17.972 1.00 1.00 O ATOM 1076 CB ARG A 68 -19.972 38.625 17.789 1.00 1.00 C ATOM 1077 CG ARG A 68 -21.058 37.541 17.653 1.00 1.00 C ATOM 1078 CD ARG A 68 -21.976 37.265 18.854 1.00 1.00 C ATOM 1079 NE ARG A 68 -21.902 35.791 19.081 1.00 1.00 N ATOM 1080 CZ ARG A 68 -22.348 35.153 20.167 1.00 1.00 C ATOM 1081 NH1 ARG A 68 -23.047 35.758 21.117 1.00 1.00 N ATOM 1082 NH2 ARG A 68 -22.081 33.861 20.306 1.00 1.00 N ATOM 0 H ARG A 68 -20.135 39.859 19.791 1.00 1.00 H new ATOM 0 HA ARG A 68 -19.047 37.279 19.237 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -20.443 39.599 17.924 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -19.391 38.677 16.868 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -21.691 37.811 16.808 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -20.562 36.606 17.394 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -21.646 37.815 19.735 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -22.999 37.579 18.647 1.00 1.00 H new ATOM 0 HE ARG A 68 -21.476 35.225 18.347 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -23.265 36.751 21.036 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -23.367 35.230 21.929 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -21.544 33.371 19.591 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -22.413 33.357 21.128 1.00 1.00 H new ATOM 1096 N THR A 69 -16.957 39.682 19.156 1.00 1.00 N ATOM 1097 CA THR A 69 -15.513 39.869 19.084 1.00 1.00 C ATOM 1098 C THR A 69 -14.763 38.813 19.886 1.00 1.00 C ATOM 1099 O THR A 69 -13.667 38.389 19.512 1.00 1.00 O ATOM 1100 CB THR A 69 -15.153 41.294 19.465 1.00 1.00 C ATOM 1101 OG1 THR A 69 -15.738 42.126 18.473 1.00 1.00 O ATOM 1102 CG2 THR A 69 -13.642 41.560 19.434 1.00 1.00 C ATOM 0 H THR A 69 -17.452 40.440 19.626 1.00 1.00 H new ATOM 0 HA THR A 69 -15.188 39.723 18.054 1.00 1.00 H new ATOM 0 HB THR A 69 -15.504 41.482 20.480 1.00 1.00 H new ATOM 0 HG1 THR A 69 -15.537 43.064 18.673 1.00 1.00 H new ATOM 0 HG21 THR A 69 -13.449 42.595 19.716 1.00 1.00 H new ATOM 0 HG22 THR A 69 -13.141 40.893 20.136 1.00 1.00 H new ATOM 0 HG23 THR A 69 -13.262 41.381 18.428 1.00 1.00 H new ATOM 1110 N VAL A 70 -15.362 38.294 20.982 1.00 1.00 N ATOM 1111 CA VAL A 70 -14.856 37.117 21.679 1.00 1.00 C ATOM 1112 C VAL A 70 -14.939 35.851 20.821 1.00 1.00 C ATOM 1113 O VAL A 70 -13.943 35.148 20.661 1.00 1.00 O ATOM 1114 CB VAL A 70 -15.551 36.888 23.018 1.00 1.00 C ATOM 1115 CG1 VAL A 70 -14.818 35.787 23.813 1.00 1.00 C ATOM 1116 CG2 VAL A 70 -15.560 38.198 23.832 1.00 1.00 C ATOM 0 H VAL A 70 -16.207 38.687 21.397 1.00 1.00 H new ATOM 0 HA VAL A 70 -13.804 37.325 21.876 1.00 1.00 H new ATOM 0 HB VAL A 70 -16.577 36.571 22.834 1.00 1.00 H new ATOM 0 HG11 VAL A 70 -15.321 35.631 24.767 1.00 1.00 H new ATOM 0 HG12 VAL A 70 -14.827 34.859 23.242 1.00 1.00 H new ATOM 0 HG13 VAL A 70 -13.787 36.093 23.992 1.00 1.00 H new ATOM 0 HG21 VAL A 70 -16.057 38.029 24.787 1.00 1.00 H new ATOM 0 HG22 VAL A 70 -14.535 38.523 24.009 1.00 1.00 H new ATOM 0 HG23 VAL A 70 -16.094 38.968 23.276 1.00 1.00 H new ATOM 1126 N ASP A 71 -16.091 35.583 20.163 1.00 1.00 N ATOM 1127 CA ASP A 71 -16.316 34.438 19.279 1.00 1.00 C ATOM 1128 C ASP A 71 -15.330 34.356 18.117 1.00 1.00 C ATOM 1129 O ASP A 71 -14.781 33.294 17.815 1.00 1.00 O ATOM 1130 CB ASP A 71 -17.728 34.520 18.626 1.00 1.00 C ATOM 1131 CG ASP A 71 -18.842 34.206 19.591 1.00 1.00 C ATOM 1132 OD1 ASP A 71 -18.946 34.823 20.671 1.00 1.00 O ATOM 1133 OD2 ASP A 71 -19.654 33.295 19.260 1.00 1.00 O ATOM 0 H ASP A 71 -16.911 36.184 20.242 1.00 1.00 H new ATOM 0 HA ASP A 71 -16.197 33.566 19.923 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -17.877 35.521 18.221 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -17.775 33.826 17.787 1.00 1.00 H new ATOM 1138 N VAL A 72 -15.072 35.498 17.451 1.00 1.00 N ATOM 1139 CA VAL A 72 -14.083 35.634 16.393 1.00 1.00 C ATOM 1140 C VAL A 72 -12.663 35.390 16.896 1.00 1.00 C ATOM 1141 O VAL A 72 -11.876 34.672 16.283 1.00 1.00 O ATOM 1142 CB VAL A 72 -14.227 36.991 15.710 1.00 1.00 C ATOM 1143 CG1 VAL A 72 -13.086 37.248 14.712 1.00 1.00 C ATOM 1144 CG2 VAL A 72 -15.576 37.014 14.958 1.00 1.00 C ATOM 0 H VAL A 72 -15.566 36.369 17.648 1.00 1.00 H new ATOM 0 HA VAL A 72 -14.273 34.859 15.650 1.00 1.00 H new ATOM 0 HB VAL A 72 -14.186 37.772 16.470 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -13.223 38.224 14.246 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -12.131 37.228 15.238 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -13.093 36.475 13.944 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -15.700 37.977 14.462 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -15.591 36.218 14.214 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -16.390 36.864 15.667 1.00 1.00 H new ATOM 1154 N HIS A 73 -12.296 35.925 18.078 1.00 1.00 N ATOM 1155 CA HIS A 73 -11.007 35.644 18.696 1.00 1.00 C ATOM 1156 C HIS A 73 -10.830 34.197 19.149 1.00 1.00 C ATOM 1157 O HIS A 73 -9.740 33.639 19.060 1.00 1.00 O ATOM 1158 CB HIS A 73 -10.765 36.593 19.884 1.00 1.00 C ATOM 1159 CG HIS A 73 -10.262 37.924 19.418 1.00 1.00 C ATOM 1160 ND1 HIS A 73 -8.992 38.081 18.946 1.00 1.00 N ATOM 1161 CD2 HIS A 73 -10.840 39.142 19.396 1.00 1.00 C ATOM 1162 CE1 HIS A 73 -8.786 39.355 18.665 1.00 1.00 C ATOM 1163 NE2 HIS A 73 -9.895 40.019 18.938 1.00 1.00 N ATOM 0 H HIS A 73 -12.887 36.557 18.618 1.00 1.00 H new ATOM 0 HA HIS A 73 -10.265 35.812 17.915 1.00 1.00 H new ATOM 0 HB2 HIS A 73 -11.692 36.726 20.442 1.00 1.00 H new ATOM 0 HB3 HIS A 73 -10.043 36.147 20.568 1.00 1.00 H new ATOM 0 HD1 HIS A 73 -8.309 37.333 18.829 1.00 1.00 H new ATOM 0 HD2 HIS A 73 -11.853 39.379 19.684 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -7.871 39.780 18.279 1.00 1.00 H new ATOM 1172 N ILE A 74 -11.896 33.526 19.617 1.00 1.00 N ATOM 1173 CA ILE A 74 -11.907 32.094 19.904 1.00 1.00 C ATOM 1174 C ILE A 74 -11.619 31.251 18.664 1.00 1.00 C ATOM 1175 O ILE A 74 -10.803 30.330 18.706 1.00 1.00 O ATOM 1176 CB ILE A 74 -13.229 31.724 20.573 1.00 1.00 C ATOM 1177 CG1 ILE A 74 -13.236 32.226 22.039 1.00 1.00 C ATOM 1178 CG2 ILE A 74 -13.568 30.221 20.481 1.00 1.00 C ATOM 1179 CD1 ILE A 74 -12.401 31.393 23.020 1.00 1.00 C ATOM 0 H ILE A 74 -12.789 33.980 19.808 1.00 1.00 H new ATOM 0 HA ILE A 74 -11.095 31.868 20.596 1.00 1.00 H new ATOM 0 HB ILE A 74 -14.021 32.227 20.019 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -12.870 33.253 22.056 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -14.267 32.249 22.393 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -14.520 30.032 20.977 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -13.640 29.928 19.434 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -12.784 29.641 20.967 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -12.472 31.827 24.018 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -12.778 30.370 23.041 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -11.359 31.389 22.699 1.00 1.00 H new ATOM 1191 N ARG A 75 -12.218 31.595 17.503 1.00 1.00 N ATOM 1192 CA ARG A 75 -11.883 30.992 16.220 1.00 1.00 C ATOM 1193 C ARG A 75 -10.423 31.221 15.817 1.00 1.00 C ATOM 1194 O ARG A 75 -9.721 30.291 15.424 1.00 1.00 O ATOM 1195 CB ARG A 75 -12.851 31.527 15.123 1.00 1.00 C ATOM 1196 CG ARG A 75 -12.476 31.206 13.656 1.00 1.00 C ATOM 1197 CD ARG A 75 -12.296 29.716 13.348 1.00 1.00 C ATOM 1198 NE ARG A 75 -11.745 29.615 11.960 1.00 1.00 N ATOM 1199 CZ ARG A 75 -11.017 28.580 11.526 1.00 1.00 C ATOM 1200 NH1 ARG A 75 -10.687 27.551 12.298 1.00 1.00 N ATOM 1201 NH2 ARG A 75 -10.612 28.526 10.262 1.00 1.00 N ATOM 0 H ARG A 75 -12.949 32.303 17.443 1.00 1.00 H new ATOM 0 HA ARG A 75 -12.004 29.914 16.323 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -13.844 31.123 15.318 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -12.921 32.610 15.228 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -13.251 31.606 13.002 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -11.551 31.727 13.410 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -11.618 29.254 14.066 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -13.248 29.190 13.424 1.00 1.00 H new ATOM 0 HE ARG A 75 -11.935 30.377 11.309 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -10.991 27.525 13.271 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -10.130 26.786 11.918 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -10.856 29.277 9.616 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -10.057 27.734 9.938 1.00 1.00 H new ATOM 1215 N ARG A 76 -9.903 32.455 15.963 1.00 1.00 N ATOM 1216 CA ARG A 76 -8.511 32.781 15.687 1.00 1.00 C ATOM 1217 C ARG A 76 -7.514 32.037 16.574 1.00 1.00 C ATOM 1218 O ARG A 76 -6.465 31.587 16.109 1.00 1.00 O ATOM 1219 CB ARG A 76 -8.283 34.309 15.781 1.00 1.00 C ATOM 1220 CG ARG A 76 -9.004 35.072 14.651 1.00 1.00 C ATOM 1221 CD ARG A 76 -9.004 36.594 14.816 1.00 1.00 C ATOM 1222 NE ARG A 76 -9.716 37.130 13.613 1.00 1.00 N ATOM 1223 CZ ARG A 76 -10.069 38.408 13.423 1.00 1.00 C ATOM 1224 NH1 ARG A 76 -9.712 39.389 14.246 1.00 1.00 N ATOM 1225 NH2 ARG A 76 -10.832 38.695 12.370 1.00 1.00 N ATOM 0 H ARG A 76 -10.452 33.254 16.280 1.00 1.00 H new ATOM 0 HA ARG A 76 -8.320 32.442 14.669 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -8.639 34.670 16.746 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -7.214 34.519 15.736 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -8.532 34.822 13.701 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -10.036 34.725 14.595 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -9.511 36.889 15.735 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -7.987 36.982 14.875 1.00 1.00 H new ATOM 0 HE ARG A 76 -9.952 36.466 12.876 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -9.143 39.184 15.067 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -10.007 40.347 14.056 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -11.129 37.952 11.738 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -11.119 39.658 12.196 1.00 1.00 H new ATOM 1239 N LEU A 77 -7.827 31.868 17.875 1.00 1.00 N ATOM 1240 CA LEU A 77 -7.064 31.047 18.801 1.00 1.00 C ATOM 1241 C LEU A 77 -7.069 29.560 18.457 1.00 1.00 C ATOM 1242 O LEU A 77 -6.024 28.912 18.435 1.00 1.00 O ATOM 1243 CB LEU A 77 -7.585 31.253 20.244 1.00 1.00 C ATOM 1244 CG LEU A 77 -6.815 30.508 21.354 1.00 1.00 C ATOM 1245 CD1 LEU A 77 -5.319 30.858 21.359 1.00 1.00 C ATOM 1246 CD2 LEU A 77 -7.431 30.822 22.727 1.00 1.00 C ATOM 0 H LEU A 77 -8.636 32.313 18.307 1.00 1.00 H new ATOM 0 HA LEU A 77 -6.029 31.378 18.717 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -7.564 32.320 20.468 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -8.629 30.940 20.280 1.00 1.00 H new ATOM 0 HG LEU A 77 -6.901 29.441 21.148 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -4.820 30.309 22.157 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -4.878 30.585 20.400 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -5.196 31.929 21.523 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -6.880 30.291 23.503 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -7.377 31.895 22.913 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -8.473 30.503 22.740 1.00 1.00 H new ATOM 1258 N ARG A 78 -8.236 28.973 18.120 1.00 1.00 N ATOM 1259 CA ARG A 78 -8.308 27.611 17.619 1.00 1.00 C ATOM 1260 C ARG A 78 -7.543 27.399 16.319 1.00 1.00 C ATOM 1261 O ARG A 78 -6.780 26.445 16.192 1.00 1.00 O ATOM 1262 CB ARG A 78 -9.778 27.201 17.424 1.00 1.00 C ATOM 1263 CG ARG A 78 -10.507 26.947 18.754 1.00 1.00 C ATOM 1264 CD ARG A 78 -12.020 26.852 18.567 1.00 1.00 C ATOM 1265 NE ARG A 78 -12.579 26.470 19.897 1.00 1.00 N ATOM 1266 CZ ARG A 78 -13.878 26.573 20.217 1.00 1.00 C ATOM 1267 NH1 ARG A 78 -14.762 27.130 19.397 1.00 1.00 N ATOM 1268 NH2 ARG A 78 -14.289 26.109 21.393 1.00 1.00 N ATOM 0 H ARG A 78 -9.141 29.437 18.192 1.00 1.00 H new ATOM 0 HA ARG A 78 -7.831 26.982 18.370 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -10.299 27.984 16.873 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -9.821 26.299 16.813 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -10.138 26.023 19.199 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -10.278 27.752 19.453 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -12.431 27.804 18.230 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -12.273 26.110 17.810 1.00 1.00 H new ATOM 0 HE ARG A 78 -11.937 26.110 20.603 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -14.460 27.495 18.494 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -15.743 27.193 19.671 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -13.621 25.683 22.035 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -15.273 26.179 21.653 1.00 1.00 H new ATOM 1282 N LYS A 79 -7.649 28.322 15.344 1.00 1.00 N ATOM 1283 CA LYS A 79 -6.865 28.274 14.119 1.00 1.00 C ATOM 1284 C LYS A 79 -5.354 28.331 14.371 1.00 1.00 C ATOM 1285 O LYS A 79 -4.563 27.653 13.714 1.00 1.00 O ATOM 1286 CB LYS A 79 -7.292 29.407 13.156 1.00 1.00 C ATOM 1287 CG LYS A 79 -6.716 29.247 11.740 1.00 1.00 C ATOM 1288 CD LYS A 79 -6.994 30.459 10.838 1.00 1.00 C ATOM 1289 CE LYS A 79 -6.236 30.422 9.504 1.00 1.00 C ATOM 1290 NZ LYS A 79 -4.785 30.606 9.709 1.00 1.00 N ATOM 0 H LYS A 79 -8.284 29.118 15.394 1.00 1.00 H new ATOM 0 HA LYS A 79 -7.071 27.308 13.657 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -8.380 29.435 13.098 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -6.970 30.364 13.566 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -5.639 29.091 11.807 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -7.140 28.354 11.280 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -8.064 30.513 10.636 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -6.724 31.369 11.374 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -6.418 29.470 9.006 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -6.615 31.204 8.846 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -4.320 30.746 8.790 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -4.622 31.439 10.310 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -4.390 29.763 10.172 1.00 1.00 H new ATOM 1304 N ALA A 80 -4.914 29.126 15.367 1.00 1.00 N ATOM 1305 CA ALA A 80 -3.542 29.170 15.829 1.00 1.00 C ATOM 1306 C ALA A 80 -3.015 27.870 16.444 1.00 1.00 C ATOM 1307 O ALA A 80 -1.857 27.505 16.228 1.00 1.00 O ATOM 1308 CB ALA A 80 -3.358 30.322 16.834 1.00 1.00 C ATOM 0 H ALA A 80 -5.529 29.763 15.873 1.00 1.00 H new ATOM 0 HA ALA A 80 -2.949 29.330 14.928 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -2.323 30.346 17.175 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -3.603 31.268 16.352 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -4.018 30.169 17.688 1.00 1.00 H new ATOM 1314 N LEU A 81 -3.842 27.129 17.221 1.00 1.00 N ATOM 1315 CA LEU A 81 -3.408 25.946 17.933 1.00 1.00 C ATOM 1316 C LEU A 81 -3.680 24.678 17.134 1.00 1.00 C ATOM 1317 O LEU A 81 -3.231 23.596 17.510 1.00 1.00 O ATOM 1318 CB LEU A 81 -4.170 25.839 19.277 1.00 1.00 C ATOM 1319 CG LEU A 81 -3.892 26.960 20.299 1.00 1.00 C ATOM 1320 CD1 LEU A 81 -4.915 26.887 21.443 1.00 1.00 C ATOM 1321 CD2 LEU A 81 -2.467 26.895 20.870 1.00 1.00 C ATOM 0 H LEU A 81 -4.828 27.352 17.359 1.00 1.00 H new ATOM 0 HA LEU A 81 -2.335 26.039 18.097 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -5.239 25.823 19.066 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -3.922 24.883 19.738 1.00 1.00 H new ATOM 0 HG LEU A 81 -3.987 27.909 19.772 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -4.714 27.681 22.162 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -5.921 27.008 21.040 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.837 25.920 21.939 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -2.324 27.706 21.584 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -2.320 25.939 21.372 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -1.745 26.994 20.059 1.00 1.00 H new ATOM 1333 N GLU A 82 -4.386 24.789 15.990 1.00 1.00 N ATOM 1334 CA GLU A 82 -4.642 23.717 15.040 1.00 1.00 C ATOM 1335 C GLU A 82 -3.388 23.120 14.391 1.00 1.00 C ATOM 1336 O GLU A 82 -3.289 21.891 14.381 1.00 1.00 O ATOM 1337 CB GLU A 82 -5.717 24.160 14.010 1.00 1.00 C ATOM 1338 CG GLU A 82 -6.037 23.125 12.905 1.00 1.00 C ATOM 1339 CD GLU A 82 -7.300 23.481 12.127 1.00 1.00 C ATOM 1340 OE1 GLU A 82 -8.135 24.309 12.443 1.00 1.00 O ATOM 1341 OE2 GLU A 82 -7.445 22.731 10.991 1.00 1.00 O ATOM 0 H GLU A 82 -4.807 25.672 15.702 1.00 1.00 H new ATOM 0 HA GLU A 82 -5.041 22.880 15.613 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -6.637 24.391 14.546 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -5.384 25.083 13.535 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -5.195 23.060 12.216 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -6.156 22.140 13.356 1.00 1.00 H new ATOM 1349 N PRO A 83 -2.360 23.846 13.922 1.00 1.00 N ATOM 1350 CA PRO A 83 -1.073 23.263 13.536 1.00 1.00 C ATOM 1351 C PRO A 83 -0.384 22.483 14.637 1.00 1.00 C ATOM 1352 O PRO A 83 0.443 21.623 14.341 1.00 1.00 O ATOM 1353 CB PRO A 83 -0.223 24.471 13.110 1.00 1.00 C ATOM 1354 CG PRO A 83 -1.250 25.475 12.586 1.00 1.00 C ATOM 1355 CD PRO A 83 -2.462 25.242 13.488 1.00 1.00 C ATOM 0 HA PRO A 83 -1.216 22.524 12.748 1.00 1.00 H new ATOM 0 HB2 PRO A 83 0.342 24.878 13.949 1.00 1.00 H new ATOM 0 HB3 PRO A 83 0.500 24.200 12.340 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -0.885 26.499 12.660 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -1.489 25.296 11.538 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -2.453 25.920 14.341 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -3.393 25.419 12.949 1.00 1.00 H new ATOM 1363 N GLY A 84 -0.679 22.794 15.913 1.00 1.00 N ATOM 1364 CA GLY A 84 -0.148 22.093 17.073 1.00 1.00 C ATOM 1365 C GLY A 84 -1.049 21.020 17.608 1.00 1.00 C ATOM 1366 O GLY A 84 -0.731 20.413 18.626 1.00 1.00 O ATOM 0 H GLY A 84 -1.308 23.558 16.160 1.00 1.00 H new ATOM 0 HA2 GLY A 84 0.811 21.648 16.807 1.00 1.00 H new ATOM 0 HA3 GLY A 84 0.046 22.817 17.864 1.00 1.00 H new ATOM 1370 N GLY A 85 -2.225 20.781 16.988 1.00 1.00 N ATOM 1371 CA GLY A 85 -3.200 19.784 17.431 1.00 1.00 C ATOM 1372 C GLY A 85 -3.757 19.996 18.819 1.00 1.00 C ATOM 1373 O GLY A 85 -4.087 19.041 19.516 1.00 1.00 O ATOM 0 H GLY A 85 -2.520 21.288 16.153 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -4.029 19.771 16.723 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -2.732 18.800 17.392 1.00 1.00 H new ATOM 1377 N HIS A 86 -3.825 21.258 19.288 1.00 1.00 N ATOM 1378 CA HIS A 86 -4.233 21.569 20.654 1.00 1.00 C ATOM 1379 C HIS A 86 -5.355 22.595 20.703 1.00 1.00 C ATOM 1380 O HIS A 86 -5.702 23.098 21.768 1.00 1.00 O ATOM 1381 CB HIS A 86 -3.046 22.041 21.534 1.00 1.00 C ATOM 1382 CG HIS A 86 -2.168 20.918 22.037 1.00 1.00 C ATOM 1383 ND1 HIS A 86 -1.270 20.235 21.262 1.00 1.00 N ATOM 1384 CD2 HIS A 86 -2.087 20.387 23.280 1.00 1.00 C ATOM 1385 CE1 HIS A 86 -0.660 19.322 22.003 1.00 1.00 C ATOM 1386 NE2 HIS A 86 -1.135 19.405 23.232 1.00 1.00 N ATOM 0 H HIS A 86 -3.598 22.079 18.727 1.00 1.00 H new ATOM 0 HA HIS A 86 -4.609 20.632 21.066 1.00 1.00 H new ATOM 0 HB2 HIS A 86 -2.435 22.736 20.959 1.00 1.00 H new ATOM 0 HB3 HIS A 86 -3.438 22.593 22.389 1.00 1.00 H new ATOM 0 HD1 HIS A 86 -1.098 20.403 20.271 1.00 1.00 H new ATOM 0 HD2 HIS A 86 -2.664 20.682 24.144 1.00 1.00 H new ATOM 0 HE1 HIS A 86 0.095 18.630 21.661 1.00 1.00 H new ATOM 0 HE2 HIS A 86 -0.840 18.829 24.020 1.00 1.00 H new ATOM 1395 N ASP A 87 -6.013 22.888 19.565 1.00 1.00 N ATOM 1396 CA ASP A 87 -7.251 23.639 19.469 1.00 1.00 C ATOM 1397 C ASP A 87 -8.406 23.056 20.295 1.00 1.00 C ATOM 1398 O ASP A 87 -9.238 23.783 20.837 1.00 1.00 O ATOM 1399 CB ASP A 87 -7.619 23.795 17.964 1.00 1.00 C ATOM 1400 CG ASP A 87 -7.688 22.488 17.198 1.00 1.00 C ATOM 1401 OD1 ASP A 87 -6.655 21.775 17.103 1.00 1.00 O ATOM 1402 OD2 ASP A 87 -8.782 22.151 16.677 1.00 1.00 O ATOM 0 H ASP A 87 -5.669 22.588 18.653 1.00 1.00 H new ATOM 0 HA ASP A 87 -7.084 24.620 19.915 1.00 1.00 H new ATOM 0 HB2 ASP A 87 -8.583 24.298 17.888 1.00 1.00 H new ATOM 0 HB3 ASP A 87 -6.883 24.443 17.488 1.00 1.00 H new ATOM 1407 N ARG A 88 -8.419 21.718 20.452 1.00 1.00 N ATOM 1408 CA ARG A 88 -9.364 20.920 21.209 1.00 1.00 C ATOM 1409 C ARG A 88 -9.520 21.278 22.687 1.00 1.00 C ATOM 1410 O ARG A 88 -10.578 21.065 23.274 1.00 1.00 O ATOM 1411 CB ARG A 88 -8.972 19.424 21.081 1.00 1.00 C ATOM 1412 CG ARG A 88 -7.525 19.102 21.517 1.00 1.00 C ATOM 1413 CD ARG A 88 -7.118 17.630 21.365 1.00 1.00 C ATOM 1414 NE ARG A 88 -6.834 17.358 19.926 1.00 1.00 N ATOM 1415 CZ ARG A 88 -6.377 16.185 19.469 1.00 1.00 C ATOM 1416 NH1 ARG A 88 -6.166 15.144 20.271 1.00 1.00 N ATOM 1417 NH2 ARG A 88 -6.103 16.048 18.176 1.00 1.00 N ATOM 0 H ARG A 88 -7.707 21.135 20.012 1.00 1.00 H new ATOM 0 HA ARG A 88 -10.337 21.138 20.769 1.00 1.00 H new ATOM 0 HB2 ARG A 88 -9.660 18.828 21.681 1.00 1.00 H new ATOM 0 HB3 ARG A 88 -9.103 19.114 20.044 1.00 1.00 H new ATOM 0 HG2 ARG A 88 -6.840 19.716 20.933 1.00 1.00 H new ATOM 0 HG3 ARG A 88 -7.402 19.392 22.560 1.00 1.00 H new ATOM 0 HD2 ARG A 88 -6.237 17.417 21.971 1.00 1.00 H new ATOM 0 HD3 ARG A 88 -7.916 16.979 21.722 1.00 1.00 H new ATOM 0 HE ARG A 88 -6.997 18.107 19.253 1.00 1.00 H new ATOM 0 HH11 ARG A 88 -6.353 15.224 21.270 1.00 1.00 H new ATOM 0 HH12 ARG A 88 -5.817 14.266 19.886 1.00 1.00 H new ATOM 0 HH21 ARG A 88 -6.241 16.833 17.539 1.00 1.00 H new ATOM 0 HH22 ARG A 88 -5.755 15.158 17.820 1.00 1.00 H new ATOM 1431 N MET A 89 -8.479 21.816 23.358 1.00 1.00 N ATOM 1432 CA MET A 89 -8.543 22.166 24.775 1.00 1.00 C ATOM 1433 C MET A 89 -9.525 23.288 25.089 1.00 1.00 C ATOM 1434 O MET A 89 -10.143 23.322 26.151 1.00 1.00 O ATOM 1435 CB MET A 89 -7.169 22.584 25.344 1.00 1.00 C ATOM 1436 CG MET A 89 -6.003 21.675 24.915 1.00 1.00 C ATOM 1437 SD MET A 89 -4.376 22.218 25.513 1.00 1.00 S ATOM 1438 CE MET A 89 -4.730 21.778 27.232 1.00 1.00 C ATOM 0 H MET A 89 -7.577 22.016 22.925 1.00 1.00 H new ATOM 0 HA MET A 89 -8.889 21.247 25.249 1.00 1.00 H new ATOM 0 HB2 MET A 89 -6.954 23.605 25.029 1.00 1.00 H new ATOM 0 HB3 MET A 89 -7.227 22.592 26.432 1.00 1.00 H new ATOM 0 HG2 MET A 89 -6.192 20.665 25.278 1.00 1.00 H new ATOM 0 HG3 MET A 89 -5.979 21.623 23.826 1.00 1.00 H new ATOM 0 HE1 MET A 89 -3.806 21.793 27.809 1.00 1.00 H new ATOM 0 HE2 MET A 89 -5.433 22.496 27.654 1.00 1.00 H new ATOM 0 HE3 MET A 89 -5.165 20.779 27.270 1.00 1.00 H new ATOM 1448 N VAL A 90 -9.653 24.246 24.148 1.00 1.00 N ATOM 1449 CA VAL A 90 -10.605 25.348 24.186 1.00 1.00 C ATOM 1450 C VAL A 90 -12.013 24.870 23.833 1.00 1.00 C ATOM 1451 O VAL A 90 -12.315 24.523 22.687 1.00 1.00 O ATOM 1452 CB VAL A 90 -10.217 26.473 23.220 1.00 1.00 C ATOM 1453 CG1 VAL A 90 -11.174 27.676 23.364 1.00 1.00 C ATOM 1454 CG2 VAL A 90 -8.769 26.934 23.485 1.00 1.00 C ATOM 0 H VAL A 90 -9.068 24.263 23.313 1.00 1.00 H new ATOM 0 HA VAL A 90 -10.588 25.733 25.206 1.00 1.00 H new ATOM 0 HB VAL A 90 -10.292 26.083 22.205 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -10.878 28.461 22.668 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -12.193 27.359 23.142 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -11.127 28.058 24.384 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -8.509 27.733 22.791 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -8.685 27.300 24.508 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -8.088 26.095 23.343 1.00 1.00 H new ATOM 1464 N GLN A 91 -12.936 24.871 24.808 1.00 1.00 N ATOM 1465 CA GLN A 91 -14.266 24.304 24.695 1.00 1.00 C ATOM 1466 C GLN A 91 -15.325 25.380 24.849 1.00 1.00 C ATOM 1467 O GLN A 91 -15.135 26.384 25.534 1.00 1.00 O ATOM 1468 CB GLN A 91 -14.488 23.249 25.803 1.00 1.00 C ATOM 1469 CG GLN A 91 -13.513 22.056 25.701 1.00 1.00 C ATOM 1470 CD GLN A 91 -13.610 21.165 26.934 1.00 1.00 C ATOM 1471 OE1 GLN A 91 -14.218 21.495 27.957 1.00 1.00 O ATOM 1472 NE2 GLN A 91 -12.975 19.978 26.852 1.00 1.00 N ATOM 0 H GLN A 91 -12.759 25.284 25.724 1.00 1.00 H new ATOM 0 HA GLN A 91 -14.349 23.845 23.710 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -14.373 23.723 26.778 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -15.512 22.880 25.747 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -13.738 21.473 24.808 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -12.493 22.424 25.593 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -12.478 19.723 25.998 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -12.992 19.335 27.644 1.00 1.00 H new ATOM 1481 N THR A 92 -16.480 25.191 24.193 1.00 1.00 N ATOM 1482 CA THR A 92 -17.567 26.160 24.167 1.00 1.00 C ATOM 1483 C THR A 92 -18.744 25.615 24.940 1.00 1.00 C ATOM 1484 O THR A 92 -19.095 24.438 24.835 1.00 1.00 O ATOM 1485 CB THR A 92 -18.058 26.480 22.760 1.00 1.00 C ATOM 1486 OG1 THR A 92 -16.972 26.850 21.922 1.00 1.00 O ATOM 1487 CG2 THR A 92 -19.011 27.684 22.787 1.00 1.00 C ATOM 0 H THR A 92 -16.680 24.345 23.660 1.00 1.00 H new ATOM 0 HA THR A 92 -17.169 27.074 24.607 1.00 1.00 H new ATOM 0 HB THR A 92 -18.557 25.587 22.384 1.00 1.00 H new ATOM 0 HG1 THR A 92 -17.044 26.379 21.066 1.00 1.00 H new ATOM 0 HG21 THR A 92 -19.353 27.900 21.775 1.00 1.00 H new ATOM 0 HG22 THR A 92 -19.869 27.455 23.419 1.00 1.00 H new ATOM 0 HG23 THR A 92 -18.488 28.553 23.187 1.00 1.00 H new ATOM 1495 N VAL A 93 -19.397 26.457 25.760 1.00 1.00 N ATOM 1496 CA VAL A 93 -20.554 26.087 26.549 1.00 1.00 C ATOM 1497 C VAL A 93 -21.724 26.962 26.105 1.00 1.00 C ATOM 1498 O VAL A 93 -21.743 28.171 26.345 1.00 1.00 O ATOM 1499 CB VAL A 93 -20.292 26.269 28.041 1.00 1.00 C ATOM 1500 CG1 VAL A 93 -21.436 25.617 28.832 1.00 1.00 C ATOM 1501 CG2 VAL A 93 -18.954 25.613 28.443 1.00 1.00 C ATOM 0 H VAL A 93 -19.119 27.430 25.885 1.00 1.00 H new ATOM 0 HA VAL A 93 -20.781 25.033 26.391 1.00 1.00 H new ATOM 0 HB VAL A 93 -20.237 27.335 28.264 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -21.257 25.742 29.900 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -22.380 26.091 28.564 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -21.483 24.554 28.594 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -18.786 25.754 29.511 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -18.990 24.547 28.219 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -18.140 26.074 27.884 1.00 1.00 H new ATOM 1511 N ARG A 94 -22.731 26.375 25.416 1.00 1.00 N ATOM 1512 CA ARG A 94 -23.837 27.089 24.781 1.00 1.00 C ATOM 1513 C ARG A 94 -24.629 28.015 25.705 1.00 1.00 C ATOM 1514 O ARG A 94 -25.350 27.579 26.601 1.00 1.00 O ATOM 1515 CB ARG A 94 -24.837 26.096 24.122 1.00 1.00 C ATOM 1516 CG ARG A 94 -26.089 26.762 23.502 1.00 1.00 C ATOM 1517 CD ARG A 94 -27.057 25.785 22.821 1.00 1.00 C ATOM 1518 NE ARG A 94 -28.334 26.526 22.550 1.00 1.00 N ATOM 1519 CZ ARG A 94 -28.464 27.495 21.634 1.00 1.00 C ATOM 1520 NH1 ARG A 94 -27.590 27.680 20.655 1.00 1.00 N ATOM 1521 NH2 ARG A 94 -29.484 28.338 21.722 1.00 1.00 N ATOM 0 H ARG A 94 -22.788 25.364 25.290 1.00 1.00 H new ATOM 0 HA ARG A 94 -23.349 27.719 24.038 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -24.316 25.538 23.345 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -25.159 25.373 24.872 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -26.625 27.299 24.285 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -25.766 27.503 22.771 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -26.629 25.407 21.892 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -27.243 24.922 23.461 1.00 1.00 H new ATOM 0 HE ARG A 94 -29.156 26.275 23.099 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -26.776 27.070 20.576 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -27.731 28.432 19.980 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -30.159 28.245 22.481 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -29.594 29.080 21.031 1.00 1.00 H new ATOM 1535 N GLY A 95 -24.529 29.344 25.493 1.00 1.00 N ATOM 1536 CA GLY A 95 -25.290 30.350 26.227 1.00 1.00 C ATOM 1537 C GLY A 95 -24.710 30.685 27.572 1.00 1.00 C ATOM 1538 O GLY A 95 -25.232 31.534 28.295 1.00 1.00 O ATOM 0 H GLY A 95 -23.904 29.744 24.793 1.00 1.00 H new ATOM 0 HA2 GLY A 95 -25.345 31.259 25.628 1.00 1.00 H new ATOM 0 HA3 GLY A 95 -26.312 29.994 26.360 1.00 1.00 H new ATOM 1542 N THR A 96 -23.580 30.049 27.924 1.00 1.00 N ATOM 1543 CA THR A 96 -22.951 30.170 29.234 1.00 1.00 C ATOM 1544 C THR A 96 -21.554 30.721 29.076 1.00 1.00 C ATOM 1545 O THR A 96 -21.101 31.528 29.887 1.00 1.00 O ATOM 1546 CB THR A 96 -22.846 28.823 29.951 1.00 1.00 C ATOM 1547 OG1 THR A 96 -24.118 28.196 30.009 1.00 1.00 O ATOM 1548 CG2 THR A 96 -22.385 28.988 31.404 1.00 1.00 C ATOM 0 H THR A 96 -23.076 29.428 27.290 1.00 1.00 H new ATOM 0 HA THR A 96 -23.577 30.836 29.828 1.00 1.00 H new ATOM 0 HB THR A 96 -22.126 28.230 29.387 1.00 1.00 H new ATOM 0 HG1 THR A 96 -24.037 27.334 30.469 1.00 1.00 H new ATOM 0 HG21 THR A 96 -22.323 28.009 31.879 1.00 1.00 H new ATOM 0 HG22 THR A 96 -21.404 29.464 31.423 1.00 1.00 H new ATOM 0 HG23 THR A 96 -23.100 29.609 31.944 1.00 1.00 H new ATOM 1556 N GLY A 97 -20.827 30.347 28.001 1.00 1.00 N ATOM 1557 CA GLY A 97 -19.490 30.871 27.753 1.00 1.00 C ATOM 1558 C GLY A 97 -18.536 29.820 27.273 1.00 1.00 C ATOM 1559 O GLY A 97 -18.802 29.111 26.307 1.00 1.00 O ATOM 0 H GLY A 97 -21.154 29.684 27.298 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -19.549 31.668 27.012 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -19.103 31.316 28.670 1.00 1.00 H new ATOM 1563 N TYR A 98 -17.362 29.720 27.919 1.00 1.00 N ATOM 1564 CA TYR A 98 -16.289 28.853 27.466 1.00 1.00 C ATOM 1565 C TYR A 98 -15.626 28.156 28.629 1.00 1.00 C ATOM 1566 O TYR A 98 -15.772 28.553 29.787 1.00 1.00 O ATOM 1567 CB TYR A 98 -15.158 29.621 26.743 1.00 1.00 C ATOM 1568 CG TYR A 98 -15.711 30.444 25.628 1.00 1.00 C ATOM 1569 CD1 TYR A 98 -15.940 29.895 24.356 1.00 1.00 C ATOM 1570 CD2 TYR A 98 -16.005 31.794 25.862 1.00 1.00 C ATOM 1571 CE1 TYR A 98 -16.396 30.715 23.312 1.00 1.00 C ATOM 1572 CE2 TYR A 98 -16.432 32.615 24.818 1.00 1.00 C ATOM 1573 CZ TYR A 98 -16.606 32.081 23.542 1.00 1.00 C ATOM 1574 OH TYR A 98 -16.950 32.945 22.491 1.00 1.00 O ATOM 0 H TYR A 98 -17.142 30.242 28.767 1.00 1.00 H new ATOM 0 HA TYR A 98 -16.768 28.151 26.783 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -14.636 30.264 27.452 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -14.424 28.916 26.352 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -15.766 28.844 24.181 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -15.900 32.201 26.857 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -16.584 30.295 22.335 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -16.627 33.662 24.998 1.00 1.00 H new ATOM 0 HH TYR A 98 -17.057 33.855 22.838 1.00 1.00 H new ATOM 1584 N ARG A 99 -14.835 27.114 28.327 1.00 1.00 N ATOM 1585 CA ARG A 99 -14.099 26.335 29.296 1.00 1.00 C ATOM 1586 C ARG A 99 -12.783 25.897 28.667 1.00 1.00 C ATOM 1587 O ARG A 99 -12.701 25.673 27.462 1.00 1.00 O ATOM 1588 CB ARG A 99 -14.949 25.106 29.707 1.00 1.00 C ATOM 1589 CG ARG A 99 -14.389 24.270 30.872 1.00 1.00 C ATOM 1590 CD ARG A 99 -15.369 23.204 31.379 1.00 1.00 C ATOM 1591 NE ARG A 99 -15.481 22.132 30.335 1.00 1.00 N ATOM 1592 CZ ARG A 99 -16.343 21.105 30.397 1.00 1.00 C ATOM 1593 NH1 ARG A 99 -17.143 20.917 31.436 1.00 1.00 N ATOM 1594 NH2 ARG A 99 -16.365 20.240 29.386 1.00 1.00 N ATOM 0 H ARG A 99 -14.696 26.793 27.369 1.00 1.00 H new ATOM 0 HA ARG A 99 -13.888 26.925 30.188 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -15.947 25.451 29.978 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -15.061 24.457 28.838 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -13.468 23.784 30.551 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -14.128 24.935 31.695 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -15.017 22.782 32.320 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -16.345 23.648 31.574 1.00 1.00 H new ATOM 0 HE ARG A 99 -14.862 22.187 29.526 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -17.116 21.564 32.224 1.00 1.00 H new ATOM 0 HH12 ARG A 99 -17.786 20.125 31.448 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -15.737 20.367 28.592 1.00 1.00 H new ATOM 0 HH22 ARG A 99 -17.009 19.450 29.405 1.00 1.00 H new ATOM 1608 N PHE A 100 -11.703 25.780 29.457 1.00 1.00 N ATOM 1609 CA PHE A 100 -10.426 25.260 29.015 1.00 1.00 C ATOM 1610 C PHE A 100 -10.160 24.008 29.825 1.00 1.00 C ATOM 1611 O PHE A 100 -10.502 23.959 31.005 1.00 1.00 O ATOM 1612 CB PHE A 100 -9.321 26.320 29.240 1.00 1.00 C ATOM 1613 CG PHE A 100 -8.042 25.959 28.540 1.00 1.00 C ATOM 1614 CD1 PHE A 100 -7.873 26.263 27.180 1.00 1.00 C ATOM 1615 CD2 PHE A 100 -6.988 25.355 29.242 1.00 1.00 C ATOM 1616 CE1 PHE A 100 -6.655 26.001 26.536 1.00 1.00 C ATOM 1617 CE2 PHE A 100 -5.782 25.067 28.594 1.00 1.00 C ATOM 1618 CZ PHE A 100 -5.608 25.401 27.246 1.00 1.00 C ATOM 0 H PHE A 100 -11.707 26.054 30.440 1.00 1.00 H new ATOM 0 HA PHE A 100 -10.434 25.025 27.951 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -9.670 27.288 28.881 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -9.132 26.425 30.308 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -8.688 26.703 26.625 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -7.108 25.111 30.287 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -6.525 26.261 25.496 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -4.982 24.585 29.136 1.00 1.00 H new ATOM 0 HZ PHE A 100 -4.668 25.196 26.755 1.00 1.00 H new ATOM 1628 N SER A 101 -9.582 22.941 29.237 1.00 1.00 N ATOM 1629 CA SER A 101 -9.462 21.693 29.992 1.00 1.00 C ATOM 1630 C SER A 101 -8.182 20.952 29.693 1.00 1.00 C ATOM 1631 O SER A 101 -7.731 20.885 28.551 1.00 1.00 O ATOM 1632 CB SER A 101 -10.657 20.728 29.741 1.00 1.00 C ATOM 1633 OG SER A 101 -10.626 19.579 30.595 1.00 1.00 O ATOM 0 H SER A 101 -9.209 22.921 28.288 1.00 1.00 H new ATOM 0 HA SER A 101 -9.460 22.002 31.037 1.00 1.00 H new ATOM 0 HB2 SER A 101 -11.592 21.266 29.896 1.00 1.00 H new ATOM 0 HB3 SER A 101 -10.645 20.403 28.701 1.00 1.00 H new ATOM 0 HG SER A 101 -11.048 19.797 31.452 1.00 1.00 H new ATOM 1639 N THR A 102 -7.572 20.355 30.738 1.00 1.00 N ATOM 1640 CA THR A 102 -6.394 19.498 30.613 1.00 1.00 C ATOM 1641 C THR A 102 -6.743 18.035 30.775 1.00 1.00 C ATOM 1642 O THR A 102 -5.883 17.175 30.592 1.00 1.00 O ATOM 1643 CB THR A 102 -5.264 19.808 31.590 1.00 1.00 C ATOM 1644 OG1 THR A 102 -5.683 19.919 32.946 1.00 1.00 O ATOM 1645 CG2 THR A 102 -4.666 21.153 31.185 1.00 1.00 C ATOM 0 H THR A 102 -7.894 20.461 31.700 1.00 1.00 H new ATOM 0 HA THR A 102 -6.036 19.713 29.606 1.00 1.00 H new ATOM 0 HB THR A 102 -4.558 18.979 31.539 1.00 1.00 H new ATOM 0 HG1 THR A 102 -4.908 20.116 33.513 1.00 1.00 H new ATOM 0 HG21 THR A 102 -3.852 21.408 31.864 1.00 1.00 H new ATOM 0 HG22 THR A 102 -4.283 21.089 30.167 1.00 1.00 H new ATOM 0 HG23 THR A 102 -5.436 21.923 31.235 1.00 1.00 H new