USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 579 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 79 GLN : amide:sc= 2.22 K(o=3.5,f=-10!) USER MOD Set 1.2: A 104 LYS NZ :NH3+ 128:sc= 1.28 (180deg=0) USER MOD Set 2.1: A 6 SER OG : rot -32:sc= 1.18 USER MOD Set 2.2: A 24 LYS NZ :NH3+ 168:sc= 1.22 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.967 K(o=-0.97,f=-1.8) USER MOD Single : A 12 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-3.4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 42:sc= -3.62! USER MOD Single : A 30 THR OG1 : rot -89:sc= -1.17! USER MOD Single : A 32 GLN :FLIP amide:sc= -0.054 F(o=-1.6!,f=-0.054) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.466 K(o=-0.47,f=-4.7!) USER MOD Single : A 38 THR OG1 : rot 72:sc= 1.16 USER MOD Single : A 40 CYS SG : rot 42:sc= 1.24 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -36:sc= 0.276 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.0458 F(o=-1.5!,f=-0.046) USER MOD Single : A 87 CYS SG : rot 140:sc= -1.1! USER MOD Single : A 90 GLN :FLIP amide:sc= -0.69 F(o=-1.4!,f=-0.69) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 93 SER OG : rot -40:sc= 0.0254 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 175:sc= 0.888 (180deg=0.786) USER MOD Single : A 106 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0481) USER MOD ----------------------------------------------------------------- ATOM 70 N SER A 6 -221.193 75.819 59.046 1.00 0.00 N ATOM 71 CA SER A 6 -222.161 76.896 58.982 1.00 0.00 C ATOM 72 C SER A 6 -223.315 76.510 58.062 1.00 0.00 C ATOM 73 O SER A 6 -223.134 75.761 57.099 1.00 0.00 O ATOM 74 CB SER A 6 -221.489 78.180 58.490 1.00 0.00 C ATOM 75 OG SER A 6 -220.834 77.979 57.246 1.00 0.00 O ATOM 0 HA SER A 6 -222.559 77.074 59.981 1.00 0.00 H new ATOM 0 HB2 SER A 6 -222.236 78.967 58.386 1.00 0.00 H new ATOM 0 HB3 SER A 6 -220.767 78.522 59.232 1.00 0.00 H new ATOM 0 HG SER A 6 -220.497 77.060 57.198 1.00 0.00 H new ATOM 81 N PHE A 7 -224.498 77.002 58.379 1.00 0.00 N ATOM 82 CA PHE A 7 -225.686 76.718 57.602 1.00 0.00 C ATOM 83 C PHE A 7 -226.208 78.018 57.002 1.00 0.00 C ATOM 84 O PHE A 7 -225.976 79.100 57.541 1.00 0.00 O ATOM 85 CB PHE A 7 -226.738 76.027 58.485 1.00 0.00 C ATOM 86 CG PHE A 7 -227.592 76.935 59.326 1.00 0.00 C ATOM 87 CD1 PHE A 7 -227.082 77.543 60.455 1.00 0.00 C ATOM 88 CD2 PHE A 7 -228.917 77.158 58.992 1.00 0.00 C ATOM 89 CE1 PHE A 7 -227.874 78.361 61.236 1.00 0.00 C ATOM 90 CE2 PHE A 7 -229.713 77.972 59.770 1.00 0.00 C ATOM 91 CZ PHE A 7 -229.191 78.575 60.894 1.00 0.00 C ATOM 0 H PHE A 7 -224.661 77.609 59.182 1.00 0.00 H new ATOM 0 HA PHE A 7 -225.451 76.035 56.785 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -227.392 75.438 57.843 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -226.226 75.328 59.146 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -226.051 77.377 60.731 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -229.332 76.689 58.112 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -227.461 78.833 62.115 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -230.745 78.137 59.499 1.00 0.00 H new ATOM 0 HZ PHE A 7 -229.813 79.213 61.505 1.00 0.00 H new ATOM 101 N PHE A 8 -226.884 77.924 55.881 1.00 0.00 N ATOM 102 CA PHE A 8 -227.339 79.123 55.190 1.00 0.00 C ATOM 103 C PHE A 8 -228.720 79.532 55.687 1.00 0.00 C ATOM 104 O PHE A 8 -229.624 78.700 55.776 1.00 0.00 O ATOM 105 CB PHE A 8 -227.387 78.903 53.675 1.00 0.00 C ATOM 106 CG PHE A 8 -226.038 78.705 53.041 1.00 0.00 C ATOM 107 CD1 PHE A 8 -225.391 77.481 53.109 1.00 0.00 C ATOM 108 CD2 PHE A 8 -225.423 79.749 52.370 1.00 0.00 C ATOM 109 CE1 PHE A 8 -224.152 77.304 52.522 1.00 0.00 C ATOM 110 CE2 PHE A 8 -224.186 79.578 51.781 1.00 0.00 C ATOM 111 CZ PHE A 8 -223.550 78.354 51.856 1.00 0.00 C ATOM 0 H PHE A 8 -227.132 77.045 55.427 1.00 0.00 H new ATOM 0 HA PHE A 8 -226.626 79.919 55.405 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -228.007 78.032 53.465 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -227.873 79.760 53.209 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -225.860 76.657 53.626 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -225.917 80.708 52.307 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -223.656 76.347 52.584 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -223.716 80.400 51.262 1.00 0.00 H new ATOM 0 HZ PHE A 8 -222.583 78.218 51.394 1.00 0.00 H new ATOM 121 N VAL A 9 -228.886 80.806 56.010 1.00 0.00 N ATOM 122 CA VAL A 9 -230.179 81.319 56.432 1.00 0.00 C ATOM 123 C VAL A 9 -230.605 82.447 55.521 1.00 0.00 C ATOM 124 O VAL A 9 -229.777 83.085 54.880 1.00 0.00 O ATOM 125 CB VAL A 9 -230.173 81.899 57.862 1.00 0.00 C ATOM 126 CG1 VAL A 9 -231.562 81.831 58.469 1.00 0.00 C ATOM 127 CG2 VAL A 9 -229.169 81.221 58.756 1.00 0.00 C ATOM 0 H VAL A 9 -228.141 81.503 55.988 1.00 0.00 H new ATOM 0 HA VAL A 9 -230.857 80.466 56.395 1.00 0.00 H new ATOM 0 HB VAL A 9 -229.870 82.943 57.782 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -231.539 82.244 59.477 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -232.255 82.407 57.856 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -231.891 80.793 58.510 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -229.207 81.668 59.750 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -229.403 80.159 58.826 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -228.169 81.345 58.340 1.00 0.00 H new ATOM 137 N GLN A 10 -231.894 82.674 55.450 1.00 0.00 N ATOM 138 CA GLN A 10 -232.403 83.907 54.918 1.00 0.00 C ATOM 139 C GLN A 10 -233.410 84.484 55.904 1.00 0.00 C ATOM 140 O GLN A 10 -234.513 83.962 56.080 1.00 0.00 O ATOM 141 CB GLN A 10 -232.981 83.719 53.517 1.00 0.00 C ATOM 142 CG GLN A 10 -234.184 82.813 53.410 1.00 0.00 C ATOM 143 CD GLN A 10 -233.901 81.344 53.708 1.00 0.00 C ATOM 144 OE1 GLN A 10 -232.803 80.839 53.471 1.00 0.00 O ATOM 145 NE2 GLN A 10 -234.900 80.644 54.228 1.00 0.00 N ATOM 0 H GLN A 10 -232.610 82.015 55.756 1.00 0.00 H new ATOM 0 HA GLN A 10 -231.589 84.623 54.799 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -233.253 84.699 53.124 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -232.196 83.324 52.872 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -234.952 83.168 54.097 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -234.595 82.893 52.404 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -235.797 81.094 54.412 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -234.772 79.655 54.444 1.00 0.00 H new ATOM 154 N VAL A 11 -233.002 85.545 56.576 1.00 0.00 N ATOM 155 CA VAL A 11 -233.823 86.161 57.597 1.00 0.00 C ATOM 156 C VAL A 11 -234.212 87.563 57.157 1.00 0.00 C ATOM 157 O VAL A 11 -233.427 88.260 56.534 1.00 0.00 O ATOM 158 CB VAL A 11 -233.135 86.207 58.997 1.00 0.00 C ATOM 159 CG1 VAL A 11 -232.216 85.016 59.215 1.00 0.00 C ATOM 160 CG2 VAL A 11 -232.386 87.500 59.226 1.00 0.00 C ATOM 0 H VAL A 11 -232.100 85.999 56.430 1.00 0.00 H new ATOM 0 HA VAL A 11 -234.711 85.540 57.712 1.00 0.00 H new ATOM 0 HB VAL A 11 -233.939 86.155 59.731 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -231.757 85.086 60.201 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -232.793 84.094 59.148 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -231.438 85.013 58.452 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -231.925 87.483 60.214 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -231.612 87.612 58.466 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -233.080 88.338 59.164 1.00 0.00 H new ATOM 170 N HIS A 12 -235.439 87.954 57.416 1.00 0.00 N ATOM 171 CA HIS A 12 -235.893 89.277 57.017 1.00 0.00 C ATOM 172 C HIS A 12 -235.596 90.302 58.102 1.00 0.00 C ATOM 173 O HIS A 12 -235.933 90.094 59.269 1.00 0.00 O ATOM 174 CB HIS A 12 -237.398 89.285 56.737 1.00 0.00 C ATOM 175 CG HIS A 12 -237.798 88.694 55.425 1.00 0.00 C ATOM 176 ND1 HIS A 12 -237.826 89.422 54.262 1.00 0.00 N ATOM 177 CD2 HIS A 12 -238.239 87.456 55.102 1.00 0.00 C ATOM 178 CE1 HIS A 12 -238.271 88.668 53.279 1.00 0.00 C ATOM 179 NE2 HIS A 12 -238.534 87.466 53.757 1.00 0.00 N ATOM 0 H HIS A 12 -236.138 87.386 57.895 1.00 0.00 H new ATOM 0 HA HIS A 12 -235.354 89.538 56.106 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -237.904 88.739 57.534 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -237.755 90.314 56.779 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -237.545 90.398 54.173 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -238.341 86.617 55.774 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -238.399 88.980 52.253 1.00 0.00 H new ATOM 287 N LEU A 20 -235.145 91.051 52.205 1.00 0.00 N ATOM 288 CA LEU A 20 -234.658 89.777 52.719 1.00 0.00 C ATOM 289 C LEU A 20 -233.163 89.845 52.968 1.00 0.00 C ATOM 290 O LEU A 20 -232.416 90.385 52.155 1.00 0.00 O ATOM 291 CB LEU A 20 -234.957 88.624 51.754 1.00 0.00 C ATOM 292 CG LEU A 20 -234.395 87.267 52.201 1.00 0.00 C ATOM 293 CD1 LEU A 20 -235.080 86.794 53.470 1.00 0.00 C ATOM 294 CD2 LEU A 20 -234.535 86.227 51.106 1.00 0.00 C ATOM 0 HA LEU A 20 -235.181 89.586 53.656 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -236.037 88.536 51.635 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -234.547 88.869 50.774 1.00 0.00 H new ATOM 0 HG LEU A 20 -233.333 87.400 52.408 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -234.667 85.831 53.769 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -234.916 87.522 54.265 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -236.150 86.689 53.289 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -234.128 85.277 51.452 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -235.589 86.101 50.856 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -233.989 86.554 50.221 1.00 0.00 H new ATOM 306 N THR A 21 -232.731 89.297 54.086 1.00 0.00 N ATOM 307 CA THR A 21 -231.323 89.246 54.395 1.00 0.00 C ATOM 308 C THR A 21 -230.819 87.801 54.363 1.00 0.00 C ATOM 309 O THR A 21 -231.127 87.010 55.247 1.00 0.00 O ATOM 310 CB THR A 21 -231.050 89.865 55.783 1.00 0.00 C ATOM 311 OG1 THR A 21 -231.689 91.147 55.867 1.00 0.00 O ATOM 312 CG2 THR A 21 -229.555 90.022 56.028 1.00 0.00 C ATOM 0 H THR A 21 -233.337 88.882 54.793 1.00 0.00 H new ATOM 0 HA THR A 21 -230.789 89.823 53.640 1.00 0.00 H new ATOM 0 HB THR A 21 -231.453 89.197 56.545 1.00 0.00 H new ATOM 0 HG1 THR A 21 -231.518 91.541 56.748 1.00 0.00 H new ATOM 0 HG21 THR A 21 -229.392 90.460 57.013 1.00 0.00 H new ATOM 0 HG22 THR A 21 -229.074 89.045 55.981 1.00 0.00 H new ATOM 0 HG23 THR A 21 -229.128 90.673 55.266 1.00 0.00 H new ATOM 320 N VAL A 22 -230.043 87.453 53.347 1.00 0.00 N ATOM 321 CA VAL A 22 -229.491 86.106 53.254 1.00 0.00 C ATOM 322 C VAL A 22 -228.183 86.045 54.039 1.00 0.00 C ATOM 323 O VAL A 22 -227.184 86.651 53.652 1.00 0.00 O ATOM 324 CB VAL A 22 -229.223 85.686 51.791 1.00 0.00 C ATOM 325 CG1 VAL A 22 -228.712 84.251 51.724 1.00 0.00 C ATOM 326 CG2 VAL A 22 -230.479 85.844 50.946 1.00 0.00 C ATOM 0 H VAL A 22 -229.782 88.076 52.582 1.00 0.00 H new ATOM 0 HA VAL A 22 -230.226 85.416 53.670 1.00 0.00 H new ATOM 0 HB VAL A 22 -228.452 86.343 51.387 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -228.530 83.978 50.685 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -227.783 84.169 52.288 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -229.457 83.579 52.151 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -230.268 85.543 49.920 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -231.272 85.216 51.352 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -230.798 86.886 50.960 1.00 0.00 H new ATOM 336 N ILE A 23 -228.194 85.322 55.141 1.00 0.00 N ATOM 337 CA ILE A 23 -227.036 85.242 56.010 1.00 0.00 C ATOM 338 C ILE A 23 -226.615 83.809 56.254 1.00 0.00 C ATOM 339 O ILE A 23 -227.378 83.009 56.785 1.00 0.00 O ATOM 340 CB ILE A 23 -227.279 85.910 57.378 1.00 0.00 C ATOM 341 CG1 ILE A 23 -228.641 85.512 57.954 1.00 0.00 C ATOM 342 CG2 ILE A 23 -227.153 87.419 57.263 1.00 0.00 C ATOM 343 CD1 ILE A 23 -228.881 86.051 59.346 1.00 0.00 C ATOM 0 H ILE A 23 -228.997 84.778 55.458 1.00 0.00 H new ATOM 0 HA ILE A 23 -226.244 85.777 55.485 1.00 0.00 H new ATOM 0 HB ILE A 23 -226.515 85.556 58.070 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -229.428 85.873 57.291 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -228.715 84.425 57.975 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -227.328 87.874 58.238 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -226.152 87.675 56.917 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -227.889 87.792 56.551 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -229.863 85.733 59.695 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -228.115 85.670 60.021 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -228.838 87.140 59.327 1.00 0.00 H new ATOM 355 N LYS A 24 -225.406 83.475 55.862 1.00 0.00 N ATOM 356 CA LYS A 24 -224.843 82.209 56.261 1.00 0.00 C ATOM 357 C LYS A 24 -224.326 82.346 57.685 1.00 0.00 C ATOM 358 O LYS A 24 -223.456 83.176 57.960 1.00 0.00 O ATOM 359 CB LYS A 24 -223.729 81.764 55.323 1.00 0.00 C ATOM 360 CG LYS A 24 -223.396 80.289 55.478 1.00 0.00 C ATOM 361 CD LYS A 24 -222.219 79.871 54.608 1.00 0.00 C ATOM 362 CE LYS A 24 -220.963 80.689 54.877 1.00 0.00 C ATOM 363 NZ LYS A 24 -220.425 80.476 56.247 1.00 0.00 N ATOM 0 H LYS A 24 -224.803 84.053 55.277 1.00 0.00 H new ATOM 0 HA LYS A 24 -225.616 81.442 56.212 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -224.025 81.961 54.293 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -222.836 82.358 55.517 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -223.167 80.078 56.522 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -224.269 79.692 55.216 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -222.003 78.816 54.780 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -222.495 79.973 53.559 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -220.199 80.426 54.146 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -221.186 81.747 54.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -219.472 80.888 56.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -221.050 80.935 56.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -220.376 79.456 56.446 1.00 0.00 H new ATOM 377 N ALA A 25 -224.889 81.561 58.581 1.00 0.00 N ATOM 378 CA ALA A 25 -224.556 81.618 59.991 1.00 0.00 C ATOM 379 C ALA A 25 -224.247 80.230 60.483 1.00 0.00 C ATOM 380 O ALA A 25 -224.585 79.256 59.838 1.00 0.00 O ATOM 381 CB ALA A 25 -225.712 82.245 60.768 1.00 0.00 C ATOM 0 H ALA A 25 -225.595 80.861 58.351 1.00 0.00 H new ATOM 0 HA ALA A 25 -223.674 82.240 60.145 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -225.458 82.286 61.827 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -225.894 83.254 60.399 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -226.610 81.642 60.633 1.00 0.00 H new ATOM 387 N PRO A 26 -223.580 80.120 61.615 1.00 0.00 N ATOM 388 CA PRO A 26 -223.148 78.837 62.127 1.00 0.00 C ATOM 389 C PRO A 26 -224.319 77.931 62.441 1.00 0.00 C ATOM 390 O PRO A 26 -225.351 78.392 62.916 1.00 0.00 O ATOM 391 CB PRO A 26 -222.335 79.183 63.372 1.00 0.00 C ATOM 392 CG PRO A 26 -222.169 80.664 63.381 1.00 0.00 C ATOM 393 CD PRO A 26 -223.232 81.228 62.499 1.00 0.00 C ATOM 0 HA PRO A 26 -222.561 78.277 61.399 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -222.847 78.846 64.274 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -221.365 78.686 63.351 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -222.260 81.056 64.394 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -221.179 80.943 63.019 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -224.093 81.564 63.076 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -222.870 82.089 61.937 1.00 0.00 H new ATOM 401 N ARG A 27 -224.153 76.632 62.167 1.00 0.00 N ATOM 402 CA ARG A 27 -225.213 75.644 62.394 1.00 0.00 C ATOM 403 C ARG A 27 -225.540 75.559 63.891 1.00 0.00 C ATOM 404 O ARG A 27 -226.397 74.792 64.317 1.00 0.00 O ATOM 405 CB ARG A 27 -224.798 74.264 61.867 1.00 0.00 C ATOM 406 CG ARG A 27 -224.388 74.278 60.404 1.00 0.00 C ATOM 407 CD ARG A 27 -224.172 72.878 59.850 1.00 0.00 C ATOM 408 NE ARG A 27 -225.415 72.256 59.385 1.00 0.00 N ATOM 409 CZ ARG A 27 -225.671 70.948 59.446 1.00 0.00 C ATOM 410 NH1 ARG A 27 -224.841 70.119 60.068 1.00 0.00 N ATOM 411 NH2 ARG A 27 -226.779 70.465 58.896 1.00 0.00 N ATOM 0 H ARG A 27 -223.292 76.240 61.787 1.00 0.00 H new ATOM 0 HA ARG A 27 -226.102 75.964 61.850 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -223.968 73.888 62.466 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -225.627 73.568 61.998 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -225.156 74.783 59.819 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -223.471 74.856 60.292 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -223.462 72.924 59.024 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -223.723 72.252 60.621 1.00 0.00 H new ATOM 0 HE ARG A 27 -226.132 72.863 58.988 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -223.994 70.480 60.508 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -225.050 69.121 60.106 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -227.432 71.094 58.428 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -226.977 69.465 58.941 1.00 0.00 H new ATOM 425 N VAL A 28 -224.815 76.345 64.679 1.00 0.00 N ATOM 426 CA VAL A 28 -225.024 76.427 66.112 1.00 0.00 C ATOM 427 C VAL A 28 -225.668 77.759 66.502 1.00 0.00 C ATOM 428 O VAL A 28 -226.089 77.923 67.646 1.00 0.00 O ATOM 429 CB VAL A 28 -223.701 76.260 66.895 1.00 0.00 C ATOM 430 CG1 VAL A 28 -223.061 74.920 66.583 1.00 0.00 C ATOM 431 CG2 VAL A 28 -222.738 77.401 66.593 1.00 0.00 C ATOM 0 H VAL A 28 -224.064 76.944 64.336 1.00 0.00 H new ATOM 0 HA VAL A 28 -225.695 75.609 66.375 1.00 0.00 H new ATOM 0 HB VAL A 28 -223.933 76.290 67.960 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -222.131 74.821 67.143 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -223.742 74.117 66.865 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -222.849 74.858 65.516 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -221.816 77.258 67.157 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -222.513 77.414 65.527 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -223.195 78.348 66.879 1.00 0.00 H new ATOM 441 N SER A 29 -225.722 78.722 65.570 1.00 0.00 N ATOM 442 CA SER A 29 -226.388 79.998 65.850 1.00 0.00 C ATOM 443 C SER A 29 -227.826 79.823 66.323 1.00 0.00 C ATOM 444 O SER A 29 -228.650 79.180 65.669 1.00 0.00 O ATOM 445 CB SER A 29 -226.350 80.919 64.636 1.00 0.00 C ATOM 446 OG SER A 29 -225.154 81.678 64.628 1.00 0.00 O ATOM 0 H SER A 29 -225.321 78.643 64.635 1.00 0.00 H new ATOM 0 HA SER A 29 -225.829 80.457 66.665 1.00 0.00 H new ATOM 0 HB2 SER A 29 -226.420 80.329 63.722 1.00 0.00 H new ATOM 0 HB3 SER A 29 -227.212 81.587 64.651 1.00 0.00 H new ATOM 0 HG SER A 29 -224.401 81.105 64.882 1.00 0.00 H new ATOM 452 N THR A 30 -228.100 80.384 67.490 1.00 0.00 N ATOM 453 CA THR A 30 -229.447 80.478 68.003 1.00 0.00 C ATOM 454 C THR A 30 -230.005 81.859 67.714 1.00 0.00 C ATOM 455 O THR A 30 -229.298 82.692 67.139 1.00 0.00 O ATOM 456 CB THR A 30 -229.504 80.134 69.503 1.00 0.00 C ATOM 457 OG1 THR A 30 -230.786 80.457 70.067 1.00 0.00 O ATOM 458 CG2 THR A 30 -228.410 80.842 70.276 1.00 0.00 C ATOM 0 H THR A 30 -227.391 80.785 68.104 1.00 0.00 H new ATOM 0 HA THR A 30 -230.071 79.742 67.496 1.00 0.00 H new ATOM 0 HB THR A 30 -229.348 79.059 69.587 1.00 0.00 H new ATOM 0 HG1 THR A 30 -230.780 81.384 70.384 1.00 0.00 H new ATOM 0 HG21 THR A 30 -228.480 80.577 71.331 1.00 0.00 H new ATOM 0 HG22 THR A 30 -227.437 80.539 69.889 1.00 0.00 H new ATOM 0 HG23 THR A 30 -228.525 81.920 70.165 1.00 0.00 H new ATOM 466 N ALA A 31 -231.263 82.092 68.079 1.00 0.00 N ATOM 467 CA ALA A 31 -231.959 83.315 67.705 1.00 0.00 C ATOM 468 C ALA A 31 -231.114 84.542 67.993 1.00 0.00 C ATOM 469 O ALA A 31 -230.860 85.324 67.097 1.00 0.00 O ATOM 470 CB ALA A 31 -233.305 83.403 68.414 1.00 0.00 C ATOM 0 H ALA A 31 -231.821 81.445 68.636 1.00 0.00 H new ATOM 0 HA ALA A 31 -232.138 83.284 66.630 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -233.810 84.324 68.122 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -233.920 82.547 68.135 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -233.149 83.401 69.493 1.00 0.00 H new ATOM 476 N GLN A 32 -230.602 84.656 69.208 1.00 0.00 N ATOM 477 CA GLN A 32 -229.811 85.824 69.586 1.00 0.00 C ATOM 478 C GLN A 32 -228.506 85.915 68.784 1.00 0.00 C ATOM 479 O GLN A 32 -228.034 87.012 68.488 1.00 0.00 O ATOM 480 CB GLN A 32 -229.503 85.795 71.086 1.00 0.00 C ATOM 481 CG GLN A 32 -230.165 86.916 71.878 1.00 0.00 C ATOM 482 CD GLN A 32 -229.424 88.244 71.785 1.00 0.00 C ATOM 483 OE1 GLN A 32 -228.745 88.486 70.673 1.00 0.00 O flip ATOM 484 NE2 GLN A 32 -229.460 89.045 72.718 1.00 0.00 N flip ATOM 0 H GLN A 32 -230.717 83.962 69.947 1.00 0.00 H new ATOM 0 HA GLN A 32 -230.405 86.708 69.356 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -229.825 84.837 71.494 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -228.424 85.854 71.226 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -231.185 87.052 71.518 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -230.234 86.620 72.925 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -229.993 88.825 73.559 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -228.956 89.929 72.651 1.00 0.00 H new ATOM 493 N ASP A 33 -227.941 84.774 68.405 1.00 0.00 N ATOM 494 CA ASP A 33 -226.655 84.766 67.712 1.00 0.00 C ATOM 495 C ASP A 33 -226.839 85.178 66.265 1.00 0.00 C ATOM 496 O ASP A 33 -226.053 85.952 65.718 1.00 0.00 O ATOM 497 CB ASP A 33 -226.003 83.381 67.771 1.00 0.00 C ATOM 498 CG ASP A 33 -225.122 83.197 68.990 1.00 0.00 C ATOM 499 OD1 ASP A 33 -225.648 82.831 70.061 1.00 0.00 O ATOM 500 OD2 ASP A 33 -223.893 83.400 68.876 1.00 0.00 O ATOM 0 H ASP A 33 -228.347 83.851 68.563 1.00 0.00 H new ATOM 0 HA ASP A 33 -226.000 85.478 68.214 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -226.781 82.618 67.773 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -225.407 83.227 66.871 1.00 0.00 H new ATOM 505 N VAL A 34 -227.883 84.644 65.657 1.00 0.00 N ATOM 506 CA VAL A 34 -228.245 84.987 64.294 1.00 0.00 C ATOM 507 C VAL A 34 -228.831 86.401 64.256 1.00 0.00 C ATOM 508 O VAL A 34 -228.707 87.110 63.256 1.00 0.00 O ATOM 509 CB VAL A 34 -229.222 83.950 63.719 1.00 0.00 C ATOM 510 CG1 VAL A 34 -230.651 84.270 64.083 1.00 0.00 C ATOM 511 CG2 VAL A 34 -229.030 83.816 62.224 1.00 0.00 C ATOM 0 H VAL A 34 -228.503 83.961 66.094 1.00 0.00 H new ATOM 0 HA VAL A 34 -227.353 84.973 63.668 1.00 0.00 H new ATOM 0 HB VAL A 34 -228.999 82.983 64.170 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -231.312 83.515 63.659 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -230.757 84.277 65.168 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -230.917 85.250 63.686 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -229.730 83.078 61.832 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -229.213 84.778 61.746 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -228.009 83.495 62.016 1.00 0.00 H new ATOM 521 N ILE A 35 -229.456 86.803 65.365 1.00 0.00 N ATOM 522 CA ILE A 35 -229.907 88.175 65.551 1.00 0.00 C ATOM 523 C ILE A 35 -228.723 89.119 65.393 1.00 0.00 C ATOM 524 O ILE A 35 -228.708 89.980 64.518 1.00 0.00 O ATOM 525 CB ILE A 35 -230.538 88.365 66.954 1.00 0.00 C ATOM 526 CG1 ILE A 35 -231.985 87.877 66.969 1.00 0.00 C ATOM 527 CG2 ILE A 35 -230.465 89.818 67.412 1.00 0.00 C ATOM 528 CD1 ILE A 35 -232.931 88.751 66.201 1.00 0.00 C ATOM 0 H ILE A 35 -229.661 86.187 66.152 1.00 0.00 H new ATOM 0 HA ILE A 35 -230.665 88.397 64.800 1.00 0.00 H new ATOM 0 HB ILE A 35 -229.958 87.764 67.654 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -232.022 86.869 66.557 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -232.325 87.811 68.003 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -230.917 89.911 68.399 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -229.422 90.133 67.459 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -231.003 90.450 66.705 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -233.938 88.337 66.260 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -232.926 89.755 66.626 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -232.618 88.797 65.158 1.00 0.00 H new ATOM 540 N GLN A 36 -227.703 88.895 66.211 1.00 0.00 N ATOM 541 CA GLN A 36 -226.488 89.700 66.193 1.00 0.00 C ATOM 542 C GLN A 36 -225.746 89.541 64.863 1.00 0.00 C ATOM 543 O GLN A 36 -225.075 90.465 64.408 1.00 0.00 O ATOM 544 CB GLN A 36 -225.594 89.293 67.365 1.00 0.00 C ATOM 545 CG GLN A 36 -224.256 90.005 67.414 1.00 0.00 C ATOM 546 CD GLN A 36 -223.390 89.503 68.547 1.00 0.00 C ATOM 547 OE1 GLN A 36 -223.421 90.037 69.656 1.00 0.00 O ATOM 548 NE2 GLN A 36 -222.633 88.453 68.289 1.00 0.00 N ATOM 0 H GLN A 36 -227.694 88.149 66.907 1.00 0.00 H new ATOM 0 HA GLN A 36 -226.757 90.751 66.295 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -226.127 89.485 68.296 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -225.418 88.219 67.315 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -223.734 89.862 66.468 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -224.419 91.077 67.529 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -222.635 88.039 67.357 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -222.046 88.055 69.022 1.00 0.00 H new ATOM 557 N GLN A 37 -225.851 88.366 64.252 1.00 0.00 N ATOM 558 CA GLN A 37 -225.264 88.132 62.952 1.00 0.00 C ATOM 559 C GLN A 37 -225.923 89.042 61.916 1.00 0.00 C ATOM 560 O GLN A 37 -225.254 89.617 61.055 1.00 0.00 O ATOM 561 CB GLN A 37 -225.431 86.662 62.567 1.00 0.00 C ATOM 562 CG GLN A 37 -225.110 86.389 61.120 1.00 0.00 C ATOM 563 CD GLN A 37 -223.624 86.454 60.808 1.00 0.00 C ATOM 564 OE1 GLN A 37 -222.869 87.181 61.451 1.00 0.00 O ATOM 565 NE2 GLN A 37 -223.194 85.693 59.818 1.00 0.00 N ATOM 0 H GLN A 37 -226.341 87.562 64.644 1.00 0.00 H new ATOM 0 HA GLN A 37 -224.199 88.362 62.986 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -224.784 86.052 63.198 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -226.457 86.354 62.770 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -225.487 85.402 60.852 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -225.636 87.111 60.496 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -223.850 85.102 59.307 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -222.206 85.696 59.565 1.00 0.00 H new ATOM 574 N THR A 38 -227.235 89.187 62.023 1.00 0.00 N ATOM 575 CA THR A 38 -227.967 90.105 61.169 1.00 0.00 C ATOM 576 C THR A 38 -227.586 91.540 61.512 1.00 0.00 C ATOM 577 O THR A 38 -227.551 92.402 60.647 1.00 0.00 O ATOM 578 CB THR A 38 -229.489 89.915 61.311 1.00 0.00 C ATOM 579 OG1 THR A 38 -229.814 88.524 61.199 1.00 0.00 O ATOM 580 CG2 THR A 38 -230.236 90.696 60.237 1.00 0.00 C ATOM 0 H THR A 38 -227.813 88.680 62.693 1.00 0.00 H new ATOM 0 HA THR A 38 -227.700 89.892 60.134 1.00 0.00 H new ATOM 0 HB THR A 38 -229.792 90.289 62.289 1.00 0.00 H new ATOM 0 HG1 THR A 38 -229.518 88.053 62.006 1.00 0.00 H new ATOM 0 HG21 THR A 38 -231.309 90.546 60.358 1.00 0.00 H new ATOM 0 HG22 THR A 38 -230.005 91.757 60.332 1.00 0.00 H new ATOM 0 HG23 THR A 38 -229.929 90.344 59.252 1.00 0.00 H new ATOM 588 N LEU A 39 -227.276 91.776 62.785 1.00 0.00 N ATOM 589 CA LEU A 39 -226.754 93.066 63.236 1.00 0.00 C ATOM 590 C LEU A 39 -225.424 93.378 62.556 1.00 0.00 C ATOM 591 O LEU A 39 -225.102 94.534 62.287 1.00 0.00 O ATOM 592 CB LEU A 39 -226.558 93.066 64.757 1.00 0.00 C ATOM 593 CG LEU A 39 -227.719 93.624 65.575 1.00 0.00 C ATOM 594 CD1 LEU A 39 -228.962 92.757 65.467 1.00 0.00 C ATOM 595 CD2 LEU A 39 -227.311 93.801 67.026 1.00 0.00 C ATOM 0 H LEU A 39 -227.378 91.085 63.528 1.00 0.00 H new ATOM 0 HA LEU A 39 -227.481 93.832 62.967 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -226.369 92.042 65.080 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -225.663 93.644 64.989 1.00 0.00 H new ATOM 0 HG LEU A 39 -227.971 94.600 65.160 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -229.762 93.192 66.065 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -229.277 92.701 64.425 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -228.740 91.755 65.833 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -228.151 94.200 67.594 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -227.017 92.837 67.441 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -226.471 94.493 67.086 1.00 0.00 H new ATOM 607 N CYS A 40 -224.652 92.334 62.299 1.00 0.00 N ATOM 608 CA CYS A 40 -223.362 92.470 61.634 1.00 0.00 C ATOM 609 C CYS A 40 -223.538 92.881 60.173 1.00 0.00 C ATOM 610 O CYS A 40 -222.775 93.695 59.644 1.00 0.00 O ATOM 611 CB CYS A 40 -222.586 91.152 61.720 1.00 0.00 C ATOM 612 SG CYS A 40 -222.276 90.588 63.410 1.00 0.00 S ATOM 0 H CYS A 40 -224.898 91.374 62.543 1.00 0.00 H new ATOM 0 HA CYS A 40 -222.798 93.253 62.141 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -223.141 90.380 61.187 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -221.632 91.270 61.207 1.00 0.00 H new ATOM 0 HG CYS A 40 -223.343 90.768 64.130 1.00 0.00 H new ATOM 618 N LYS A 41 -224.545 92.316 59.519 1.00 0.00 N ATOM 619 CA LYS A 41 -224.810 92.626 58.117 1.00 0.00 C ATOM 620 C LYS A 41 -225.533 93.963 57.983 1.00 0.00 C ATOM 621 O LYS A 41 -225.128 94.826 57.201 1.00 0.00 O ATOM 622 CB LYS A 41 -225.627 91.507 57.466 1.00 0.00 C ATOM 623 CG LYS A 41 -224.922 90.160 57.478 1.00 0.00 C ATOM 624 CD LYS A 41 -223.564 90.239 56.799 1.00 0.00 C ATOM 625 CE LYS A 41 -222.826 88.912 56.862 1.00 0.00 C ATOM 626 NZ LYS A 41 -221.461 89.012 56.281 1.00 0.00 N ATOM 0 H LYS A 41 -225.190 91.643 59.933 1.00 0.00 H new ATOM 0 HA LYS A 41 -223.854 92.704 57.599 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -226.581 91.414 57.985 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -225.851 91.783 56.435 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -224.797 89.822 58.507 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -225.541 89.419 56.972 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -223.694 90.534 55.758 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -222.963 91.013 57.276 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -222.757 88.583 57.899 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -223.395 88.153 56.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -220.989 88.087 56.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -221.528 89.301 55.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -220.910 89.718 56.810 1.00 0.00 H new ATOM 640 N ALA A 42 -226.598 94.127 58.752 1.00 0.00 N ATOM 641 CA ALA A 42 -227.334 95.377 58.787 1.00 0.00 C ATOM 642 C ALA A 42 -226.604 96.375 59.668 1.00 0.00 C ATOM 643 O ALA A 42 -226.879 96.508 60.860 1.00 0.00 O ATOM 644 CB ALA A 42 -228.759 95.154 59.276 1.00 0.00 C ATOM 0 H ALA A 42 -226.973 93.402 59.364 1.00 0.00 H new ATOM 0 HA ALA A 42 -227.394 95.781 57.776 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -229.291 96.105 59.294 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -229.271 94.465 58.604 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -228.737 94.732 60.281 1.00 0.00 H new ATOM 852 N ASP A 56 -233.099 93.514 72.573 1.00 0.00 N ATOM 853 CA ASP A 56 -234.489 93.908 72.372 1.00 0.00 C ATOM 854 C ASP A 56 -235.078 93.231 71.141 1.00 0.00 C ATOM 855 O ASP A 56 -236.243 93.437 70.800 1.00 0.00 O ATOM 856 CB ASP A 56 -234.603 95.438 72.232 1.00 0.00 C ATOM 857 CG ASP A 56 -233.432 96.086 71.521 1.00 0.00 C ATOM 858 OD1 ASP A 56 -232.273 95.896 71.959 1.00 0.00 O ATOM 859 OD2 ASP A 56 -233.670 96.820 70.542 1.00 0.00 O ATOM 0 HA ASP A 56 -235.055 93.588 73.247 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -235.519 95.675 71.690 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -234.698 95.876 73.225 1.00 0.00 H new ATOM 864 N TYR A 57 -234.284 92.388 70.515 1.00 0.00 N ATOM 865 CA TYR A 57 -234.663 91.739 69.271 1.00 0.00 C ATOM 866 C TYR A 57 -234.991 90.280 69.521 1.00 0.00 C ATOM 867 O TYR A 57 -234.226 89.571 70.174 1.00 0.00 O ATOM 868 CB TYR A 57 -233.511 91.823 68.260 1.00 0.00 C ATOM 869 CG TYR A 57 -233.349 93.193 67.673 1.00 0.00 C ATOM 870 CD1 TYR A 57 -232.979 94.260 68.474 1.00 0.00 C ATOM 871 CD2 TYR A 57 -233.627 93.433 66.335 1.00 0.00 C ATOM 872 CE1 TYR A 57 -232.884 95.532 67.964 1.00 0.00 C ATOM 873 CE2 TYR A 57 -233.542 94.706 65.814 1.00 0.00 C ATOM 874 CZ TYR A 57 -233.170 95.753 66.631 1.00 0.00 C ATOM 875 OH TYR A 57 -233.095 97.022 66.114 1.00 0.00 O ATOM 0 H TYR A 57 -233.356 92.131 70.852 1.00 0.00 H new ATOM 0 HA TYR A 57 -235.540 92.248 68.871 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -232.582 91.531 68.750 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -233.686 91.107 67.457 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -232.761 94.089 69.518 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -233.913 92.612 65.694 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -232.588 96.353 68.600 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -233.765 94.883 64.772 1.00 0.00 H new ATOM 0 HH TYR A 57 -233.326 97.002 65.162 1.00 0.00 H new ATOM 885 N VAL A 58 -236.125 89.836 69.022 1.00 0.00 N ATOM 886 CA VAL A 58 -236.402 88.408 68.983 1.00 0.00 C ATOM 887 C VAL A 58 -236.442 87.941 67.543 1.00 0.00 C ATOM 888 O VAL A 58 -236.504 88.750 66.612 1.00 0.00 O ATOM 889 CB VAL A 58 -237.714 87.991 69.694 1.00 0.00 C ATOM 890 CG1 VAL A 58 -237.484 87.757 71.172 1.00 0.00 C ATOM 891 CG2 VAL A 58 -238.793 89.040 69.545 1.00 0.00 C ATOM 0 H VAL A 58 -236.863 90.429 68.642 1.00 0.00 H new ATOM 0 HA VAL A 58 -235.593 87.929 69.534 1.00 0.00 H new ATOM 0 HB VAL A 58 -238.040 87.067 69.215 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -238.422 87.466 71.645 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -236.749 86.963 71.305 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -237.115 88.674 71.632 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -239.696 88.709 70.058 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -238.451 89.978 69.982 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -239.011 89.190 68.488 1.00 0.00 H new ATOM 901 N LEU A 59 -236.389 86.644 67.353 1.00 0.00 N ATOM 902 CA LEU A 59 -236.398 86.088 66.021 1.00 0.00 C ATOM 903 C LEU A 59 -237.618 85.206 65.842 1.00 0.00 C ATOM 904 O LEU A 59 -238.006 84.472 66.748 1.00 0.00 O ATOM 905 CB LEU A 59 -235.117 85.298 65.772 1.00 0.00 C ATOM 906 CG LEU A 59 -234.962 84.723 64.367 1.00 0.00 C ATOM 907 CD1 LEU A 59 -234.550 85.808 63.388 1.00 0.00 C ATOM 908 CD2 LEU A 59 -233.953 83.593 64.363 1.00 0.00 C ATOM 0 H LEU A 59 -236.339 85.955 68.103 1.00 0.00 H new ATOM 0 HA LEU A 59 -236.445 86.898 65.293 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -234.265 85.947 65.976 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -235.072 84.478 66.488 1.00 0.00 H new ATOM 0 HG LEU A 59 -235.926 84.324 64.052 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -234.445 85.378 62.392 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -235.311 86.588 63.368 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -233.598 86.238 63.700 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -233.856 83.196 63.353 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -232.986 83.967 64.700 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -234.290 82.802 65.033 1.00 0.00 H new ATOM 920 N LEU A 60 -238.242 85.313 64.689 1.00 0.00 N ATOM 921 CA LEU A 60 -239.414 84.516 64.385 1.00 0.00 C ATOM 922 C LEU A 60 -239.017 83.320 63.543 1.00 0.00 C ATOM 923 O LEU A 60 -238.365 83.474 62.510 1.00 0.00 O ATOM 924 CB LEU A 60 -240.457 85.338 63.613 1.00 0.00 C ATOM 925 CG LEU A 60 -241.254 86.384 64.416 1.00 0.00 C ATOM 926 CD1 LEU A 60 -242.267 85.705 65.315 1.00 0.00 C ATOM 927 CD2 LEU A 60 -240.343 87.292 65.230 1.00 0.00 C ATOM 0 H LEU A 60 -237.957 85.947 63.942 1.00 0.00 H new ATOM 0 HA LEU A 60 -239.849 84.187 65.329 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -239.948 85.852 62.798 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -241.167 84.646 63.160 1.00 0.00 H new ATOM 0 HG LEU A 60 -241.783 87.011 63.698 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -242.820 86.459 65.874 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -242.960 85.123 64.708 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -241.750 85.044 66.011 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -240.946 88.014 65.780 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -239.765 86.692 65.933 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -239.665 87.821 64.561 1.00 0.00 H new ATOM 939 N GLU A 61 -239.393 82.138 63.990 1.00 0.00 N ATOM 940 CA GLU A 61 -239.260 80.961 63.168 1.00 0.00 C ATOM 941 C GLU A 61 -240.532 80.808 62.341 1.00 0.00 C ATOM 942 O GLU A 61 -241.491 80.143 62.731 1.00 0.00 O ATOM 943 CB GLU A 61 -238.968 79.692 64.006 1.00 0.00 C ATOM 944 CG GLU A 61 -240.127 79.216 64.881 1.00 0.00 C ATOM 945 CD GLU A 61 -239.887 77.866 65.526 1.00 0.00 C ATOM 946 OE1 GLU A 61 -239.941 76.839 64.814 1.00 0.00 O ATOM 947 OE2 GLU A 61 -239.679 77.818 66.756 1.00 0.00 O ATOM 0 H GLU A 61 -239.791 81.972 64.914 1.00 0.00 H new ATOM 0 HA GLU A 61 -238.402 81.081 62.506 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -238.688 78.885 63.330 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -238.106 79.887 64.645 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -240.309 79.955 65.662 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -241.031 79.164 64.275 1.00 0.00 H new ATOM 954 N GLU A 62 -240.585 81.493 61.224 1.00 0.00 N ATOM 955 CA GLU A 62 -241.701 81.327 60.351 1.00 0.00 C ATOM 956 C GLU A 62 -241.437 80.147 59.441 1.00 0.00 C ATOM 957 O GLU A 62 -240.431 80.104 58.748 1.00 0.00 O ATOM 958 CB GLU A 62 -241.887 82.583 59.525 1.00 0.00 C ATOM 959 CG GLU A 62 -243.292 82.761 59.034 1.00 0.00 C ATOM 960 CD GLU A 62 -243.406 83.838 57.977 1.00 0.00 C ATOM 961 OE1 GLU A 62 -243.188 83.526 56.785 1.00 0.00 O ATOM 962 OE2 GLU A 62 -243.693 84.995 58.334 1.00 0.00 O ATOM 0 H GLU A 62 -239.878 82.157 60.910 1.00 0.00 H new ATOM 0 HA GLU A 62 -242.606 81.147 60.931 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -241.605 83.449 60.123 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -241.211 82.552 58.671 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -243.653 81.817 58.626 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -243.938 83.013 59.875 1.00 0.00 H new ATOM 969 N VAL A 63 -242.331 79.188 59.460 1.00 0.00 N ATOM 970 CA VAL A 63 -242.203 78.020 58.614 1.00 0.00 C ATOM 971 C VAL A 63 -243.365 77.949 57.630 1.00 0.00 C ATOM 972 O VAL A 63 -244.512 77.679 57.998 1.00 0.00 O ATOM 973 CB VAL A 63 -242.074 76.721 59.447 1.00 0.00 C ATOM 974 CG1 VAL A 63 -242.967 76.764 60.677 1.00 0.00 C ATOM 975 CG2 VAL A 63 -242.380 75.499 58.603 1.00 0.00 C ATOM 0 H VAL A 63 -243.160 79.191 60.054 1.00 0.00 H new ATOM 0 HA VAL A 63 -241.281 78.115 58.041 1.00 0.00 H new ATOM 0 HB VAL A 63 -241.040 76.648 59.785 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -242.854 75.838 61.241 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -242.682 77.608 61.304 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -244.006 76.876 60.368 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -242.282 74.601 59.213 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -243.398 75.567 58.219 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -241.681 75.449 57.769 1.00 0.00 H new ATOM 985 N VAL A 64 -243.048 78.205 56.372 1.00 0.00 N ATOM 986 CA VAL A 64 -244.045 78.314 55.320 1.00 0.00 C ATOM 987 C VAL A 64 -244.541 76.943 54.874 1.00 0.00 C ATOM 988 O VAL A 64 -243.793 75.965 54.868 1.00 0.00 O ATOM 989 CB VAL A 64 -243.463 79.077 54.106 1.00 0.00 C ATOM 990 CG1 VAL A 64 -244.473 79.193 52.975 1.00 0.00 C ATOM 991 CG2 VAL A 64 -242.984 80.455 54.529 1.00 0.00 C ATOM 0 H VAL A 64 -242.090 78.343 56.051 1.00 0.00 H new ATOM 0 HA VAL A 64 -244.892 78.867 55.726 1.00 0.00 H new ATOM 0 HB VAL A 64 -242.615 78.503 53.732 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -244.026 79.735 52.142 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -244.765 78.196 52.644 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -245.353 79.731 53.327 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -242.577 80.980 53.665 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -243.821 81.022 54.937 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -242.210 80.353 55.289 1.00 0.00 H new ATOM 1199 N SER A 77 -248.200 80.823 55.873 1.00 0.00 N ATOM 1200 CA SER A 77 -247.013 81.049 56.672 1.00 0.00 C ATOM 1201 C SER A 77 -247.338 80.852 58.152 1.00 0.00 C ATOM 1202 O SER A 77 -248.313 81.406 58.664 1.00 0.00 O ATOM 1203 CB SER A 77 -246.468 82.455 56.410 1.00 0.00 C ATOM 1204 OG SER A 77 -247.506 83.420 56.443 1.00 0.00 O ATOM 0 HA SER A 77 -246.244 80.328 56.392 1.00 0.00 H new ATOM 0 HB2 SER A 77 -245.715 82.701 57.158 1.00 0.00 H new ATOM 0 HB3 SER A 77 -245.974 82.481 55.439 1.00 0.00 H new ATOM 0 HG SER A 77 -248.323 83.035 56.062 1.00 0.00 H new ATOM 1210 N SER A 78 -246.553 80.024 58.824 1.00 0.00 N ATOM 1211 CA SER A 78 -246.726 79.806 60.248 1.00 0.00 C ATOM 1212 C SER A 78 -245.570 80.435 61.010 1.00 0.00 C ATOM 1213 O SER A 78 -244.477 79.874 61.068 1.00 0.00 O ATOM 1214 CB SER A 78 -246.814 78.308 60.549 1.00 0.00 C ATOM 1215 OG SER A 78 -247.904 77.714 59.862 1.00 0.00 O ATOM 0 H SER A 78 -245.790 79.493 58.404 1.00 0.00 H new ATOM 0 HA SER A 78 -247.656 80.275 60.569 1.00 0.00 H new ATOM 0 HB2 SER A 78 -245.885 77.819 60.255 1.00 0.00 H new ATOM 0 HB3 SER A 78 -246.929 78.155 61.622 1.00 0.00 H new ATOM 0 HG SER A 78 -247.938 76.757 60.069 1.00 0.00 H new ATOM 1221 N GLN A 79 -245.810 81.606 61.572 1.00 0.00 N ATOM 1222 CA GLN A 79 -244.766 82.344 62.260 1.00 0.00 C ATOM 1223 C GLN A 79 -244.822 82.038 63.758 1.00 0.00 C ATOM 1224 O GLN A 79 -245.891 82.088 64.366 1.00 0.00 O ATOM 1225 CB GLN A 79 -244.972 83.842 62.022 1.00 0.00 C ATOM 1226 CG GLN A 79 -243.683 84.644 61.978 1.00 0.00 C ATOM 1227 CD GLN A 79 -243.930 86.126 61.758 1.00 0.00 C ATOM 1228 OE1 GLN A 79 -244.070 86.896 62.713 1.00 0.00 O ATOM 1229 NE2 GLN A 79 -243.994 86.537 60.501 1.00 0.00 N ATOM 0 H GLN A 79 -246.720 82.067 61.565 1.00 0.00 H new ATOM 0 HA GLN A 79 -243.790 82.048 61.876 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -245.506 83.980 61.082 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -245.609 84.241 62.812 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -243.139 84.504 62.912 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -243.048 84.262 61.179 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -243.873 85.869 59.739 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -244.164 87.521 60.294 1.00 0.00 H new ATOM 1238 N ARG A 80 -243.679 81.714 64.346 1.00 0.00 N ATOM 1239 CA ARG A 80 -243.603 81.399 65.765 1.00 0.00 C ATOM 1240 C ARG A 80 -242.414 82.128 66.381 1.00 0.00 C ATOM 1241 O ARG A 80 -241.316 82.054 65.856 1.00 0.00 O ATOM 1242 CB ARG A 80 -243.445 79.886 65.923 1.00 0.00 C ATOM 1243 CG ARG A 80 -244.094 79.326 67.171 1.00 0.00 C ATOM 1244 CD ARG A 80 -243.303 79.644 68.434 1.00 0.00 C ATOM 1245 NE ARG A 80 -241.987 79.004 68.436 1.00 0.00 N ATOM 1246 CZ ARG A 80 -241.337 78.636 69.542 1.00 0.00 C ATOM 1247 NH1 ARG A 80 -241.882 78.828 70.738 1.00 0.00 N ATOM 1248 NH2 ARG A 80 -240.141 78.065 69.438 1.00 0.00 N ATOM 0 H ARG A 80 -242.785 81.662 63.857 1.00 0.00 H new ATOM 0 HA ARG A 80 -244.511 81.721 66.276 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -243.874 79.393 65.050 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -242.383 79.641 65.937 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -245.101 79.731 67.266 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -244.193 78.245 67.071 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -243.181 80.724 68.522 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -243.867 79.315 69.307 1.00 0.00 H new ATOM 0 HE ARG A 80 -241.539 78.828 67.537 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -242.803 79.259 70.815 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -241.379 78.544 71.579 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -239.727 77.911 68.518 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -239.637 77.781 70.278 1.00 0.00 H new ATOM 1262 N VAL A 81 -242.613 82.830 67.482 1.00 0.00 N ATOM 1263 CA VAL A 81 -241.541 83.647 68.030 1.00 0.00 C ATOM 1264 C VAL A 81 -240.633 82.829 68.942 1.00 0.00 C ATOM 1265 O VAL A 81 -241.098 82.029 69.750 1.00 0.00 O ATOM 1266 CB VAL A 81 -242.071 84.870 68.800 1.00 0.00 C ATOM 1267 CG1 VAL A 81 -241.216 86.091 68.493 1.00 0.00 C ATOM 1268 CG2 VAL A 81 -243.538 85.139 68.489 1.00 0.00 C ATOM 0 H VAL A 81 -243.487 82.853 68.007 1.00 0.00 H new ATOM 0 HA VAL A 81 -240.966 84.006 67.176 1.00 0.00 H new ATOM 0 HB VAL A 81 -242.004 84.653 69.866 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -241.599 86.951 69.042 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -240.186 85.898 68.793 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -241.250 86.299 67.424 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -243.875 86.010 69.051 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -243.655 85.329 67.422 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -244.135 84.271 68.771 1.00 0.00 H new ATOM 1278 N LEU A 82 -239.333 83.036 68.786 1.00 0.00 N ATOM 1279 CA LEU A 82 -238.328 82.298 69.536 1.00 0.00 C ATOM 1280 C LEU A 82 -237.915 83.040 70.789 1.00 0.00 C ATOM 1281 O LEU A 82 -237.959 84.270 70.845 1.00 0.00 O ATOM 1282 CB LEU A 82 -237.076 82.106 68.688 1.00 0.00 C ATOM 1283 CG LEU A 82 -237.288 81.470 67.325 1.00 0.00 C ATOM 1284 CD1 LEU A 82 -236.067 81.692 66.464 1.00 0.00 C ATOM 1285 CD2 LEU A 82 -237.580 79.988 67.468 1.00 0.00 C ATOM 0 H LEU A 82 -238.946 83.720 68.136 1.00 0.00 H new ATOM 0 HA LEU A 82 -238.772 81.339 69.804 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -236.606 83.079 68.544 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -236.372 81.491 69.249 1.00 0.00 H new ATOM 0 HG LEU A 82 -238.148 81.938 66.845 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -236.223 81.234 65.487 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -235.898 82.762 66.341 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -235.198 81.240 66.942 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -237.729 79.550 66.481 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -236.740 79.497 67.960 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -238.481 79.851 68.066 1.00 0.00 H new ATOM 1297 N LEU A 83 -237.502 82.279 71.782 1.00 0.00 N ATOM 1298 CA LEU A 83 -236.761 82.830 72.892 1.00 0.00 C ATOM 1299 C LEU A 83 -235.313 82.985 72.444 1.00 0.00 C ATOM 1300 O LEU A 83 -234.926 82.435 71.406 1.00 0.00 O ATOM 1301 CB LEU A 83 -236.856 81.926 74.131 1.00 0.00 C ATOM 1302 CG LEU A 83 -238.226 81.884 74.826 1.00 0.00 C ATOM 1303 CD1 LEU A 83 -239.246 81.118 73.999 1.00 0.00 C ATOM 1304 CD2 LEU A 83 -238.098 81.267 76.207 1.00 0.00 C ATOM 0 H LEU A 83 -237.669 81.274 71.841 1.00 0.00 H new ATOM 0 HA LEU A 83 -237.178 83.796 73.177 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -236.587 80.911 73.838 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -236.112 82.256 74.856 1.00 0.00 H new ATOM 0 HG LEU A 83 -238.580 82.910 74.926 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -240.203 81.108 74.520 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -239.366 81.602 73.030 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -238.901 80.094 73.854 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -239.076 81.244 76.687 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -237.714 80.251 76.117 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -237.412 81.863 76.809 1.00 0.00 H new ATOM 1316 N ASP A 84 -234.518 83.712 73.210 1.00 0.00 N ATOM 1317 CA ASP A 84 -233.151 84.050 72.806 1.00 0.00 C ATOM 1318 C ASP A 84 -232.331 82.802 72.456 1.00 0.00 C ATOM 1319 O ASP A 84 -231.464 82.847 71.576 1.00 0.00 O ATOM 1320 CB ASP A 84 -232.450 84.854 73.908 1.00 0.00 C ATOM 1321 CG ASP A 84 -232.055 84.013 75.106 1.00 0.00 C ATOM 1322 OD1 ASP A 84 -232.951 83.550 75.842 1.00 0.00 O ATOM 1323 OD2 ASP A 84 -230.844 83.822 75.324 1.00 0.00 O ATOM 0 H ASP A 84 -234.791 84.084 74.120 1.00 0.00 H new ATOM 0 HA ASP A 84 -233.220 84.661 71.906 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -231.558 85.324 73.493 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -233.110 85.657 74.238 1.00 0.00 H new ATOM 1328 N GLN A 85 -232.619 81.689 73.121 1.00 0.00 N ATOM 1329 CA GLN A 85 -231.882 80.464 72.900 1.00 0.00 C ATOM 1330 C GLN A 85 -232.785 79.307 72.465 1.00 0.00 C ATOM 1331 O GLN A 85 -232.588 78.170 72.887 1.00 0.00 O ATOM 1332 CB GLN A 85 -231.119 80.102 74.166 1.00 0.00 C ATOM 1333 CG GLN A 85 -231.942 80.219 75.441 1.00 0.00 C ATOM 1334 CD GLN A 85 -231.109 80.031 76.694 1.00 0.00 C ATOM 1335 OE1 GLN A 85 -229.850 80.431 76.635 1.00 0.00 O flip ATOM 1336 NE2 GLN A 85 -231.599 79.542 77.711 1.00 0.00 N flip ATOM 0 H GLN A 85 -233.360 81.616 73.818 1.00 0.00 H new ATOM 0 HA GLN A 85 -231.183 80.636 72.081 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -230.751 79.080 74.076 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -230.246 80.749 74.249 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -232.421 81.198 75.471 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -232.739 79.475 75.424 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -232.575 79.246 77.715 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -231.029 79.433 78.550 1.00 0.00 H new ATOM 1345 N GLU A 86 -233.764 79.587 71.610 1.00 0.00 N ATOM 1346 CA GLU A 86 -234.565 78.522 71.009 1.00 0.00 C ATOM 1347 C GLU A 86 -233.800 77.818 69.889 1.00 0.00 C ATOM 1348 O GLU A 86 -234.260 76.804 69.363 1.00 0.00 O ATOM 1349 CB GLU A 86 -235.875 79.081 70.465 1.00 0.00 C ATOM 1350 CG GLU A 86 -236.960 79.209 71.515 1.00 0.00 C ATOM 1351 CD GLU A 86 -237.422 77.864 72.029 1.00 0.00 C ATOM 1352 OE1 GLU A 86 -236.785 77.331 72.956 1.00 0.00 O ATOM 1353 OE2 GLU A 86 -238.425 77.337 71.497 1.00 0.00 O ATOM 0 H GLU A 86 -234.021 80.530 71.319 1.00 0.00 H new ATOM 0 HA GLU A 86 -234.783 77.793 71.789 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -235.688 80.061 70.026 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -236.231 78.435 69.663 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -236.588 79.806 72.348 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -237.810 79.746 71.093 1.00 0.00 H new ATOM 1360 N CYS A 87 -232.633 78.372 69.545 1.00 0.00 N ATOM 1361 CA CYS A 87 -231.764 77.842 68.489 1.00 0.00 C ATOM 1362 C CYS A 87 -232.379 78.051 67.106 1.00 0.00 C ATOM 1363 O CYS A 87 -233.535 77.724 66.874 1.00 0.00 O ATOM 1364 CB CYS A 87 -231.489 76.353 68.687 1.00 0.00 C ATOM 1365 SG CYS A 87 -230.121 75.730 67.683 1.00 0.00 S ATOM 0 H CYS A 87 -232.262 79.208 69.996 1.00 0.00 H new ATOM 0 HA CYS A 87 -230.825 78.392 68.553 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -231.270 76.169 69.739 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -232.391 75.790 68.446 1.00 0.00 H new ATOM 0 HG CYS A 87 -229.413 74.895 68.384 1.00 0.00 H new ATOM 1371 N VAL A 88 -231.598 78.591 66.184 1.00 0.00 N ATOM 1372 CA VAL A 88 -232.058 78.818 64.828 1.00 0.00 C ATOM 1373 C VAL A 88 -232.024 77.523 64.054 1.00 0.00 C ATOM 1374 O VAL A 88 -232.985 77.153 63.386 1.00 0.00 O ATOM 1375 CB VAL A 88 -231.200 79.877 64.113 1.00 0.00 C ATOM 1376 CG1 VAL A 88 -231.613 80.041 62.661 1.00 0.00 C ATOM 1377 CG2 VAL A 88 -231.308 81.194 64.840 1.00 0.00 C ATOM 0 H VAL A 88 -230.635 78.881 66.355 1.00 0.00 H new ATOM 0 HA VAL A 88 -233.081 79.191 64.876 1.00 0.00 H new ATOM 0 HB VAL A 88 -230.164 79.540 64.124 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -230.986 80.797 62.187 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -231.494 79.091 62.139 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -232.656 80.353 62.612 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -230.699 81.941 64.331 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -232.348 81.519 64.851 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -230.955 81.074 65.864 1.00 0.00 H new ATOM 1387 N PHE A 89 -230.910 76.820 64.176 1.00 0.00 N ATOM 1388 CA PHE A 89 -230.711 75.607 63.399 1.00 0.00 C ATOM 1389 C PHE A 89 -231.591 74.484 63.927 1.00 0.00 C ATOM 1390 O PHE A 89 -232.187 73.734 63.154 1.00 0.00 O ATOM 1391 CB PHE A 89 -229.236 75.195 63.393 1.00 0.00 C ATOM 1392 CG PHE A 89 -228.988 73.871 62.725 1.00 0.00 C ATOM 1393 CD1 PHE A 89 -228.904 73.783 61.346 1.00 0.00 C ATOM 1394 CD2 PHE A 89 -228.856 72.712 63.475 1.00 0.00 C ATOM 1395 CE1 PHE A 89 -228.692 72.569 60.729 1.00 0.00 C ATOM 1396 CE2 PHE A 89 -228.645 71.494 62.862 1.00 0.00 C ATOM 1397 CZ PHE A 89 -228.563 71.421 61.487 1.00 0.00 C ATOM 0 H PHE A 89 -230.138 77.064 64.797 1.00 0.00 H new ATOM 0 HA PHE A 89 -231.002 75.810 62.368 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -228.654 75.964 62.886 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -228.875 75.148 64.421 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -229.006 74.676 60.747 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -228.919 72.763 64.552 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -228.627 72.515 59.652 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -228.544 70.599 63.458 1.00 0.00 H new ATOM 0 HZ PHE A 89 -228.398 70.469 61.004 1.00 0.00 H new ATOM 1407 N GLN A 90 -231.683 74.376 65.246 1.00 0.00 N ATOM 1408 CA GLN A 90 -232.567 73.400 65.854 1.00 0.00 C ATOM 1409 C GLN A 90 -234.017 73.709 65.505 1.00 0.00 C ATOM 1410 O GLN A 90 -234.764 72.807 65.141 1.00 0.00 O ATOM 1411 CB GLN A 90 -232.356 73.346 67.365 1.00 0.00 C ATOM 1412 CG GLN A 90 -231.235 72.415 67.787 1.00 0.00 C ATOM 1413 CD GLN A 90 -231.268 71.084 67.061 1.00 0.00 C ATOM 1414 OE1 GLN A 90 -230.559 71.005 65.946 1.00 0.00 O flip ATOM 1415 NE2 GLN A 90 -231.917 70.135 67.501 1.00 0.00 N flip ATOM 0 H GLN A 90 -231.159 74.949 65.908 1.00 0.00 H new ATOM 0 HA GLN A 90 -232.327 72.415 65.454 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -232.140 74.350 67.730 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -233.282 73.026 67.842 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -230.277 72.901 67.601 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -231.300 72.239 68.861 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -232.450 70.238 68.364 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -231.922 69.245 67.002 1.00 0.00 H new ATOM 1424 N ALA A 91 -234.398 74.988 65.577 1.00 0.00 N ATOM 1425 CA ALA A 91 -235.739 75.414 65.171 1.00 0.00 C ATOM 1426 C ALA A 91 -236.001 75.034 63.720 1.00 0.00 C ATOM 1427 O ALA A 91 -237.026 74.434 63.400 1.00 0.00 O ATOM 1428 CB ALA A 91 -235.910 76.914 65.347 1.00 0.00 C ATOM 0 H ALA A 91 -233.799 75.743 65.911 1.00 0.00 H new ATOM 0 HA ALA A 91 -236.460 74.904 65.810 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -236.914 77.204 65.038 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -235.762 77.177 66.394 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -235.176 77.438 64.734 1.00 0.00 H new ATOM 1434 N GLN A 92 -235.050 75.375 62.854 1.00 0.00 N ATOM 1435 CA GLN A 92 -235.140 75.093 61.431 1.00 0.00 C ATOM 1436 C GLN A 92 -235.313 73.599 61.172 1.00 0.00 C ATOM 1437 O GLN A 92 -236.012 73.193 60.246 1.00 0.00 O ATOM 1438 CB GLN A 92 -233.876 75.586 60.732 1.00 0.00 C ATOM 1439 CG GLN A 92 -234.105 75.909 59.279 1.00 0.00 C ATOM 1440 CD GLN A 92 -232.831 76.244 58.527 1.00 0.00 C ATOM 1441 OE1 GLN A 92 -231.760 75.719 58.830 1.00 0.00 O ATOM 1442 NE2 GLN A 92 -232.937 77.123 57.541 1.00 0.00 N ATOM 0 H GLN A 92 -234.193 75.857 63.125 1.00 0.00 H new ATOM 0 HA GLN A 92 -236.013 75.612 61.036 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -233.506 76.474 61.244 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -233.100 74.825 60.813 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -234.589 75.059 58.798 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -234.793 76.751 59.206 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -233.843 77.536 57.321 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -232.112 77.387 57.002 1.00 0.00 H new ATOM 1451 N SER A 93 -234.672 72.789 62.001 1.00 0.00 N ATOM 1452 CA SER A 93 -234.714 71.339 61.850 1.00 0.00 C ATOM 1453 C SER A 93 -236.035 70.767 62.388 1.00 0.00 C ATOM 1454 O SER A 93 -236.305 69.573 62.259 1.00 0.00 O ATOM 1455 CB SER A 93 -233.514 70.712 62.571 1.00 0.00 C ATOM 1456 OG SER A 93 -233.254 69.394 62.109 1.00 0.00 O ATOM 0 H SER A 93 -234.113 73.112 62.790 1.00 0.00 H new ATOM 0 HA SER A 93 -234.658 71.094 60.789 1.00 0.00 H new ATOM 0 HB2 SER A 93 -232.631 71.333 62.416 1.00 0.00 H new ATOM 0 HB3 SER A 93 -233.705 70.691 63.644 1.00 0.00 H new ATOM 0 HG SER A 93 -234.102 68.922 61.972 1.00 0.00 H new ATOM 1462 N LYS A 94 -236.848 71.625 62.998 1.00 0.00 N ATOM 1463 CA LYS A 94 -238.158 71.232 63.489 1.00 0.00 C ATOM 1464 C LYS A 94 -239.227 71.562 62.464 1.00 0.00 C ATOM 1465 O LYS A 94 -240.378 71.145 62.586 1.00 0.00 O ATOM 1466 CB LYS A 94 -238.501 71.999 64.758 1.00 0.00 C ATOM 1467 CG LYS A 94 -237.448 71.963 65.846 1.00 0.00 C ATOM 1468 CD LYS A 94 -237.070 70.546 66.246 1.00 0.00 C ATOM 1469 CE LYS A 94 -236.043 70.550 67.370 1.00 0.00 C ATOM 1470 NZ LYS A 94 -235.605 69.175 67.731 1.00 0.00 N ATOM 0 H LYS A 94 -236.616 72.604 63.163 1.00 0.00 H new ATOM 0 HA LYS A 94 -238.127 70.160 63.683 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -238.689 73.039 64.493 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -239.431 71.600 65.163 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -236.558 72.490 65.502 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -237.817 72.498 66.721 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -237.961 70.005 66.565 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -236.667 70.016 65.383 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -235.177 71.138 67.067 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -236.468 71.037 68.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -234.906 69.224 68.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -236.427 68.620 68.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -235.175 68.718 66.901 1.00 0.00 H new ATOM 1484 N TRP A 95 -238.829 72.350 61.485 1.00 0.00 N ATOM 1485 CA TRP A 95 -239.751 72.964 60.539 1.00 0.00 C ATOM 1486 C TRP A 95 -240.616 71.985 59.780 1.00 0.00 C ATOM 1487 O TRP A 95 -240.185 70.923 59.345 1.00 0.00 O ATOM 1488 CB TRP A 95 -239.011 73.879 59.569 1.00 0.00 C ATOM 1489 CG TRP A 95 -238.739 75.210 60.175 1.00 0.00 C ATOM 1490 CD1 TRP A 95 -239.009 75.570 61.453 1.00 0.00 C ATOM 1491 CD2 TRP A 95 -238.172 76.352 59.545 1.00 0.00 C ATOM 1492 NE1 TRP A 95 -238.641 76.864 61.671 1.00 0.00 N ATOM 1493 CE2 TRP A 95 -238.123 77.375 60.508 1.00 0.00 C ATOM 1494 CE3 TRP A 95 -237.700 76.608 58.262 1.00 0.00 C ATOM 1495 CZ2 TRP A 95 -237.621 78.639 60.223 1.00 0.00 C ATOM 1496 CZ3 TRP A 95 -237.198 77.861 57.978 1.00 0.00 C ATOM 1497 CH2 TRP A 95 -237.163 78.862 58.953 1.00 0.00 C ATOM 0 H TRP A 95 -237.851 72.586 61.319 1.00 0.00 H new ATOM 0 HA TRP A 95 -240.434 73.552 61.152 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -238.071 73.414 59.274 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -239.603 74.005 58.662 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -239.453 74.923 62.195 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -238.735 77.369 62.552 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -237.726 75.840 57.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -237.593 79.415 60.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -236.826 78.072 56.986 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -236.766 79.833 58.698 1.00 0.00 H new ATOM 1508 N LYS A 96 -241.858 72.405 59.625 1.00 0.00 N ATOM 1509 CA LYS A 96 -242.864 71.662 58.896 1.00 0.00 C ATOM 1510 C LYS A 96 -243.037 72.292 57.519 1.00 0.00 C ATOM 1511 O LYS A 96 -244.153 72.438 57.015 1.00 0.00 O ATOM 1512 CB LYS A 96 -244.179 71.682 59.674 1.00 0.00 C ATOM 1513 CG LYS A 96 -244.171 70.788 60.908 1.00 0.00 C ATOM 1514 CD LYS A 96 -243.330 71.348 62.053 1.00 0.00 C ATOM 1515 CE LYS A 96 -243.860 72.678 62.577 1.00 0.00 C ATOM 1516 NZ LYS A 96 -243.000 73.233 63.665 1.00 0.00 N ATOM 0 H LYS A 96 -242.199 73.286 60.009 1.00 0.00 H new ATOM 0 HA LYS A 96 -242.556 70.624 58.775 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -244.396 72.706 59.979 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -244.987 71.368 59.013 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -245.195 70.648 61.253 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -243.790 69.804 60.633 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -243.306 70.625 62.868 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -242.303 71.480 61.713 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -243.915 73.394 61.757 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -244.875 72.542 62.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -243.395 74.137 63.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -242.967 72.561 64.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -242.038 73.387 63.302 1.00 0.00 H new ATOM 1530 N GLY A 97 -241.914 72.707 56.948 1.00 0.00 N ATOM 1531 CA GLY A 97 -241.906 73.372 55.660 1.00 0.00 C ATOM 1532 C GLY A 97 -240.682 74.252 55.513 1.00 0.00 C ATOM 1533 O GLY A 97 -239.820 74.264 56.393 1.00 0.00 O ATOM 0 H GLY A 97 -240.990 72.591 57.365 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -241.922 72.629 54.863 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -242.807 73.975 55.552 1.00 0.00 H new ATOM 1537 N ALA A 98 -240.600 74.987 54.418 1.00 0.00 N ATOM 1538 CA ALA A 98 -239.488 75.900 54.201 1.00 0.00 C ATOM 1539 C ALA A 98 -239.900 77.322 54.554 1.00 0.00 C ATOM 1540 O ALA A 98 -240.704 77.933 53.855 1.00 0.00 O ATOM 1541 CB ALA A 98 -239.006 75.822 52.758 1.00 0.00 C ATOM 0 H ALA A 98 -241.288 74.971 53.665 1.00 0.00 H new ATOM 0 HA ALA A 98 -238.663 75.607 54.851 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -238.174 76.512 52.614 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -238.677 74.806 52.539 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -239.821 76.092 52.087 1.00 0.00 H new ATOM 1547 N GLY A 99 -239.372 77.835 55.654 1.00 0.00 N ATOM 1548 CA GLY A 99 -239.752 79.154 56.099 1.00 0.00 C ATOM 1549 C GLY A 99 -238.621 80.164 56.028 1.00 0.00 C ATOM 1550 O GLY A 99 -237.724 80.062 55.192 1.00 0.00 O ATOM 0 H GLY A 99 -238.688 77.361 56.244 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -240.584 79.509 55.491 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -240.111 79.093 57.126 1.00 0.00 H new ATOM 1554 N LYS A 100 -238.678 81.135 56.928 1.00 0.00 N ATOM 1555 CA LYS A 100 -237.716 82.224 56.996 1.00 0.00 C ATOM 1556 C LYS A 100 -237.599 82.681 58.439 1.00 0.00 C ATOM 1557 O LYS A 100 -238.608 82.747 59.145 1.00 0.00 O ATOM 1558 CB LYS A 100 -238.179 83.408 56.159 1.00 0.00 C ATOM 1559 CG LYS A 100 -238.521 83.051 54.729 1.00 0.00 C ATOM 1560 CD LYS A 100 -239.256 84.180 54.050 1.00 0.00 C ATOM 1561 CE LYS A 100 -240.540 84.538 54.795 1.00 0.00 C ATOM 1562 NZ LYS A 100 -241.478 83.387 54.888 1.00 0.00 N ATOM 0 H LYS A 100 -239.405 81.189 57.642 1.00 0.00 H new ATOM 0 HA LYS A 100 -236.759 81.868 56.615 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -239.054 83.854 56.631 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -237.397 84.167 56.157 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -237.608 82.824 54.179 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -239.135 82.151 54.712 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -238.609 85.056 53.995 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -239.495 83.896 53.025 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -240.291 84.883 55.799 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -241.034 85.366 54.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -242.296 83.652 55.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -241.804 83.127 53.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -240.991 82.576 55.321 1.00 0.00 H new ATOM 1576 N PHE A 101 -236.395 82.973 58.896 1.00 0.00 N ATOM 1577 CA PHE A 101 -236.252 83.612 60.188 1.00 0.00 C ATOM 1578 C PHE A 101 -236.445 85.112 60.022 1.00 0.00 C ATOM 1579 O PHE A 101 -236.156 85.665 58.966 1.00 0.00 O ATOM 1580 CB PHE A 101 -234.910 83.245 60.815 1.00 0.00 C ATOM 1581 CG PHE A 101 -234.794 81.766 61.064 1.00 0.00 C ATOM 1582 CD1 PHE A 101 -235.277 81.205 62.236 1.00 0.00 C ATOM 1583 CD2 PHE A 101 -234.228 80.935 60.114 1.00 0.00 C ATOM 1584 CE1 PHE A 101 -235.193 79.841 62.453 1.00 0.00 C ATOM 1585 CE2 PHE A 101 -234.137 79.574 60.325 1.00 0.00 C ATOM 1586 CZ PHE A 101 -234.622 79.025 61.494 1.00 0.00 C ATOM 0 H PHE A 101 -235.522 82.783 58.404 1.00 0.00 H new ATOM 0 HA PHE A 101 -237.017 83.256 60.878 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -234.102 83.567 60.158 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -234.790 83.782 61.756 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -235.724 81.839 62.988 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -233.852 81.357 59.194 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -235.573 79.415 63.370 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -233.687 78.940 59.576 1.00 0.00 H new ATOM 0 HZ PHE A 101 -234.556 77.960 61.660 1.00 0.00 H new ATOM 1596 N ILE A 102 -237.013 85.760 61.023 1.00 0.00 N ATOM 1597 CA ILE A 102 -237.382 87.164 60.895 1.00 0.00 C ATOM 1598 C ILE A 102 -236.996 87.954 62.136 1.00 0.00 C ATOM 1599 O ILE A 102 -237.346 87.570 63.254 1.00 0.00 O ATOM 1600 CB ILE A 102 -238.902 87.311 60.652 1.00 0.00 C ATOM 1601 CG1 ILE A 102 -239.314 86.565 59.381 1.00 0.00 C ATOM 1602 CG2 ILE A 102 -239.293 88.781 60.555 1.00 0.00 C ATOM 1603 CD1 ILE A 102 -240.810 86.444 59.201 1.00 0.00 C ATOM 0 H ILE A 102 -237.229 85.343 61.929 1.00 0.00 H new ATOM 0 HA ILE A 102 -236.837 87.564 60.040 1.00 0.00 H new ATOM 0 HB ILE A 102 -239.428 86.872 61.500 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -238.894 87.080 58.517 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -238.878 85.566 59.400 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -240.366 88.861 60.384 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -239.035 89.288 61.485 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -238.758 89.246 59.727 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -241.023 85.904 58.279 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -241.235 85.902 60.046 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -241.252 87.439 59.149 1.00 0.00 H new ATOM 1615 N LEU A 103 -236.268 89.045 61.934 1.00 0.00 N ATOM 1616 CA LEU A 103 -235.915 89.938 63.026 1.00 0.00 C ATOM 1617 C LEU A 103 -237.091 90.844 63.364 1.00 0.00 C ATOM 1618 O LEU A 103 -237.457 91.724 62.585 1.00 0.00 O ATOM 1619 CB LEU A 103 -234.700 90.801 62.667 1.00 0.00 C ATOM 1620 CG LEU A 103 -233.362 90.335 63.241 1.00 0.00 C ATOM 1621 CD1 LEU A 103 -232.890 89.060 62.563 1.00 0.00 C ATOM 1622 CD2 LEU A 103 -232.318 91.433 63.113 1.00 0.00 C ATOM 0 H LEU A 103 -235.911 89.331 61.022 1.00 0.00 H new ATOM 0 HA LEU A 103 -235.663 89.322 63.890 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -234.614 90.841 61.581 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -234.887 91.819 63.010 1.00 0.00 H new ATOM 0 HG LEU A 103 -233.505 90.116 64.299 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -231.936 88.752 62.991 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -233.628 88.272 62.716 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -232.767 89.240 61.495 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -231.371 91.085 63.526 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -232.183 91.686 62.061 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -232.650 92.316 63.659 1.00 0.00 H new ATOM 1634 N LYS A 104 -237.690 90.613 64.513 1.00 0.00 N ATOM 1635 CA LYS A 104 -238.769 91.456 64.986 1.00 0.00 C ATOM 1636 C LYS A 104 -238.594 91.666 66.477 1.00 0.00 C ATOM 1637 O LYS A 104 -238.268 90.736 67.200 1.00 0.00 O ATOM 1638 CB LYS A 104 -240.129 90.829 64.660 1.00 0.00 C ATOM 1639 CG LYS A 104 -241.319 91.628 65.171 1.00 0.00 C ATOM 1640 CD LYS A 104 -242.621 91.198 64.506 1.00 0.00 C ATOM 1641 CE LYS A 104 -242.835 89.695 64.591 1.00 0.00 C ATOM 1642 NZ LYS A 104 -244.120 89.282 63.967 1.00 0.00 N ATOM 0 H LYS A 104 -237.447 89.845 65.139 1.00 0.00 H new ATOM 0 HA LYS A 104 -238.738 92.422 64.482 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -240.216 90.718 63.579 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -240.167 89.827 65.087 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -241.404 91.502 66.250 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -241.150 92.689 64.986 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -243.457 91.711 64.981 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -242.612 91.504 63.460 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -242.010 89.182 64.097 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -242.823 89.385 65.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -243.944 88.521 63.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -244.770 88.941 64.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -244.546 90.096 63.479 1.00 0.00 H new ATOM 1656 N LEU A 105 -238.786 92.885 66.932 1.00 0.00 N ATOM 1657 CA LEU A 105 -238.470 93.231 68.302 1.00 0.00 C ATOM 1658 C LEU A 105 -239.397 92.583 69.286 1.00 0.00 C ATOM 1659 O LEU A 105 -240.595 92.472 69.058 1.00 0.00 O ATOM 1660 CB LEU A 105 -238.493 94.732 68.512 1.00 0.00 C ATOM 1661 CG LEU A 105 -237.328 95.461 67.880 1.00 0.00 C ATOM 1662 CD1 LEU A 105 -237.268 96.890 68.354 1.00 0.00 C ATOM 1663 CD2 LEU A 105 -236.053 94.769 68.223 1.00 0.00 C ATOM 0 H LEU A 105 -239.159 93.653 66.374 1.00 0.00 H new ATOM 0 HA LEU A 105 -237.463 92.854 68.481 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -239.422 95.131 68.105 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -238.500 94.938 69.582 1.00 0.00 H new ATOM 0 HG LEU A 105 -237.468 95.458 66.799 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -236.422 97.393 67.886 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -238.191 97.402 68.083 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -237.147 96.909 69.437 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -235.217 95.298 67.765 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -235.926 94.757 69.305 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -236.083 93.745 67.849 1.00 0.00 H new ATOM 1675 N LYS A 106 -238.820 92.192 70.400 1.00 0.00 N ATOM 1676 CA LYS A 106 -239.554 91.557 71.467 1.00 0.00 C ATOM 1677 C LYS A 106 -240.478 92.562 72.135 1.00 0.00 C ATOM 1678 O LYS A 106 -241.558 92.220 72.591 1.00 0.00 O ATOM 1679 CB LYS A 106 -238.573 90.976 72.468 1.00 0.00 C ATOM 1680 CG LYS A 106 -237.613 92.009 72.978 1.00 0.00 C ATOM 1681 CD LYS A 106 -236.612 91.417 73.941 1.00 0.00 C ATOM 1682 CE LYS A 106 -237.311 90.835 75.143 1.00 0.00 C ATOM 1683 NZ LYS A 106 -237.859 91.895 76.033 1.00 0.00 N ATOM 0 H LYS A 106 -237.825 92.307 70.590 1.00 0.00 H new ATOM 0 HA LYS A 106 -240.168 90.751 71.064 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -239.122 90.546 73.306 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -238.017 90.163 72.001 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -237.086 92.461 72.138 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -238.167 92.806 73.474 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -236.032 90.642 73.440 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -235.908 92.186 74.260 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -238.120 90.184 74.812 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -236.612 90.215 75.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -238.226 91.461 76.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -237.105 92.570 76.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -238.629 92.395 75.544 1.00 0.00 H new