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 10 GLN : amide:sc= 0.22 K(o=0.45,f=-3.4!) USER MOD Set 1.2: A 100 LYS NZ :NH3+ 145:sc= 0.233 (180deg=-0.0574) USER MOD Set 2.1: A 6 SER OG : rot -34:sc= 1.13 USER MOD Set 2.2: A 24 LYS NZ :NH3+ -160:sc= 1.29 (180deg=-0.0368) USER MOD Set 3.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 41 LYS NZ :NH3+ 167:sc= -0.0795 (180deg=-0.453) USER MOD Single : A 12 HIS :FLIP no HD1:sc= -3.56! C(o=-4.1!,f=-3.6!) USER MOD Single : A 29 SER OG : rot -54:sc= 0.441 USER MOD Single : A 30 THR OG1 : rot -51:sc= 1.28 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.212 F(o=-2.1!,f=-0.21) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-2.4) USER MOD Single : A 38 THR OG1 : rot 69:sc= 1.28 USER MOD Single : A 40 CYS SG : rot 65:sc= 0.579 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -21:sc= 0.317 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 1.11 K(o=1.1,f=-1.1) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 CYS SG : rot 180:sc= -1.82! USER MOD Single : A 90 GLN :FLIP amide:sc= -0.723 F(o=-3.5!,f=-0.72) USER MOD Single : A 92 GLN : amide:sc= -0.0194 K(o=-0.019,f=-0.67) USER MOD Single : A 93 SER OG : rot -36:sc= 0.207 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -170:sc= -0.005 (180deg=-0.117) USER MOD Single : A 104 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.103) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N SER A 6 -221.341 75.982 58.927 1.00 0.00 N ATOM 71 CA SER A 6 -222.229 77.054 58.536 1.00 0.00 C ATOM 72 C SER A 6 -223.421 76.522 57.744 1.00 0.00 C ATOM 73 O SER A 6 -223.286 75.622 56.916 1.00 0.00 O ATOM 74 CB SER A 6 -221.456 78.098 57.724 1.00 0.00 C ATOM 75 OG SER A 6 -220.785 77.499 56.625 1.00 0.00 O ATOM 0 HA SER A 6 -222.620 77.527 59.437 1.00 0.00 H new ATOM 0 HB2 SER A 6 -222.143 78.862 57.361 1.00 0.00 H new ATOM 0 HB3 SER A 6 -220.732 78.599 58.366 1.00 0.00 H new ATOM 0 HG SER A 6 -220.490 76.598 56.873 1.00 0.00 H new ATOM 81 N PHE A 7 -224.585 77.079 58.019 1.00 0.00 N ATOM 82 CA PHE A 7 -225.807 76.719 57.334 1.00 0.00 C ATOM 83 C PHE A 7 -226.408 77.985 56.737 1.00 0.00 C ATOM 84 O PHE A 7 -226.105 79.090 57.187 1.00 0.00 O ATOM 85 CB PHE A 7 -226.775 76.025 58.310 1.00 0.00 C ATOM 86 CG PHE A 7 -227.657 76.937 59.115 1.00 0.00 C ATOM 87 CD1 PHE A 7 -227.185 77.552 60.258 1.00 0.00 C ATOM 88 CD2 PHE A 7 -228.975 77.148 58.742 1.00 0.00 C ATOM 89 CE1 PHE A 7 -228.007 78.365 61.013 1.00 0.00 C ATOM 90 CE2 PHE A 7 -229.800 77.963 59.489 1.00 0.00 C ATOM 91 CZ PHE A 7 -229.316 78.571 60.629 1.00 0.00 C ATOM 0 H PHE A 7 -224.708 77.800 58.730 1.00 0.00 H new ATOM 0 HA PHE A 7 -225.607 76.011 56.530 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -227.410 75.346 57.741 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -226.191 75.414 58.999 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -226.161 77.395 60.565 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -229.361 76.668 57.855 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -227.625 78.840 61.905 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -230.823 78.125 59.182 1.00 0.00 H new ATOM 0 HZ PHE A 7 -229.960 79.206 61.219 1.00 0.00 H new ATOM 101 N PHE A 8 -227.222 77.836 55.714 1.00 0.00 N ATOM 102 CA PHE A 8 -227.784 78.995 55.034 1.00 0.00 C ATOM 103 C PHE A 8 -229.038 79.494 55.740 1.00 0.00 C ATOM 104 O PHE A 8 -229.985 78.736 55.958 1.00 0.00 O ATOM 105 CB PHE A 8 -228.105 78.675 53.572 1.00 0.00 C ATOM 106 CG PHE A 8 -226.901 78.685 52.673 1.00 0.00 C ATOM 107 CD1 PHE A 8 -226.343 79.887 52.265 1.00 0.00 C ATOM 108 CD2 PHE A 8 -226.332 77.502 52.229 1.00 0.00 C ATOM 109 CE1 PHE A 8 -225.241 79.909 51.434 1.00 0.00 C ATOM 110 CE2 PHE A 8 -225.230 77.518 51.397 1.00 0.00 C ATOM 111 CZ PHE A 8 -224.685 78.724 50.996 1.00 0.00 C ATOM 0 H PHE A 8 -227.511 76.935 55.334 1.00 0.00 H new ATOM 0 HA PHE A 8 -227.031 79.783 55.063 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -228.579 77.695 53.519 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -228.830 79.400 53.201 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -226.776 80.817 52.602 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -226.755 76.557 52.537 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -224.814 80.852 51.127 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -224.794 76.589 51.060 1.00 0.00 H new ATOM 0 HZ PHE A 8 -223.826 78.739 50.341 1.00 0.00 H new ATOM 121 N VAL A 9 -229.042 80.771 56.096 1.00 0.00 N ATOM 122 CA VAL A 9 -230.197 81.372 56.743 1.00 0.00 C ATOM 123 C VAL A 9 -230.823 82.409 55.846 1.00 0.00 C ATOM 124 O VAL A 9 -230.143 83.291 55.330 1.00 0.00 O ATOM 125 CB VAL A 9 -229.854 82.095 58.060 1.00 0.00 C ATOM 126 CG1 VAL A 9 -231.109 82.356 58.878 1.00 0.00 C ATOM 127 CG2 VAL A 9 -228.842 81.331 58.869 1.00 0.00 C ATOM 0 H VAL A 9 -228.260 81.409 55.948 1.00 0.00 H new ATOM 0 HA VAL A 9 -230.870 80.540 56.951 1.00 0.00 H new ATOM 0 HB VAL A 9 -229.408 83.054 57.797 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -230.841 82.867 59.803 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -231.794 82.980 58.304 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -231.593 81.408 59.114 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -228.627 81.874 59.789 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -229.240 80.346 59.113 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -227.924 81.219 58.292 1.00 0.00 H new ATOM 137 N GLN A 10 -232.108 82.303 55.661 1.00 0.00 N ATOM 138 CA GLN A 10 -232.863 83.388 55.108 1.00 0.00 C ATOM 139 C GLN A 10 -233.511 84.147 56.254 1.00 0.00 C ATOM 140 O GLN A 10 -234.413 83.634 56.906 1.00 0.00 O ATOM 141 CB GLN A 10 -233.925 82.854 54.168 1.00 0.00 C ATOM 142 CG GLN A 10 -233.402 82.329 52.846 1.00 0.00 C ATOM 143 CD GLN A 10 -234.496 81.663 52.038 1.00 0.00 C ATOM 144 OE1 GLN A 10 -235.180 82.306 51.241 1.00 0.00 O ATOM 145 NE2 GLN A 10 -234.690 80.376 52.262 1.00 0.00 N ATOM 0 H GLN A 10 -232.655 81.472 55.886 1.00 0.00 H new ATOM 0 HA GLN A 10 -232.210 84.052 54.542 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -234.466 82.053 54.672 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -234.645 83.648 53.968 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -232.974 83.150 52.272 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -232.599 81.615 53.030 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -234.101 79.880 52.931 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -235.429 79.878 51.766 1.00 0.00 H new ATOM 154 N VAL A 11 -233.023 85.336 56.525 1.00 0.00 N ATOM 155 CA VAL A 11 -233.587 86.171 57.562 1.00 0.00 C ATOM 156 C VAL A 11 -234.078 87.485 56.976 1.00 0.00 C ATOM 157 O VAL A 11 -233.310 88.271 56.433 1.00 0.00 O ATOM 158 CB VAL A 11 -232.608 86.391 58.761 1.00 0.00 C ATOM 159 CG1 VAL A 11 -231.157 86.256 58.335 1.00 0.00 C ATOM 160 CG2 VAL A 11 -232.843 87.737 59.442 1.00 0.00 C ATOM 0 H VAL A 11 -232.229 85.750 56.037 1.00 0.00 H new ATOM 0 HA VAL A 11 -234.445 85.642 57.977 1.00 0.00 H new ATOM 0 HB VAL A 11 -232.820 85.605 59.486 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -230.509 86.416 59.196 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -230.987 85.257 57.933 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -230.932 86.998 57.569 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -232.144 87.853 60.270 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -232.689 88.541 58.722 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -233.864 87.780 59.821 1.00 0.00 H new ATOM 170 N HIS A 12 -235.381 87.685 57.045 1.00 0.00 N ATOM 171 CA HIS A 12 -236.004 88.897 56.529 1.00 0.00 C ATOM 172 C HIS A 12 -236.014 89.981 57.598 1.00 0.00 C ATOM 173 O HIS A 12 -235.771 89.709 58.775 1.00 0.00 O ATOM 174 CB HIS A 12 -237.473 88.637 56.149 1.00 0.00 C ATOM 175 CG HIS A 12 -237.735 88.132 54.765 1.00 0.00 C ATOM 176 ND1 HIS A 12 -237.681 86.884 54.243 1.00 0.00 N flip ATOM 177 CD2 HIS A 12 -238.182 88.949 53.750 1.00 0.00 C flip ATOM 178 CE1 HIS A 12 -238.093 86.975 52.933 1.00 0.00 C flip ATOM 179 NE2 HIS A 12 -238.391 88.232 52.666 1.00 0.00 N flip ATOM 0 H HIS A 12 -236.036 87.020 57.456 1.00 0.00 H new ATOM 0 HA HIS A 12 -235.429 89.208 55.657 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -237.884 87.917 56.856 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -238.027 89.566 56.282 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -238.337 90.015 53.831 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -238.161 86.152 52.237 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -238.727 88.588 51.771 1.00 0.00 H new ATOM 287 N LEU A 20 -235.063 90.411 51.856 1.00 0.00 N ATOM 288 CA LEU A 20 -234.623 89.147 52.415 1.00 0.00 C ATOM 289 C LEU A 20 -233.112 89.139 52.589 1.00 0.00 C ATOM 290 O LEU A 20 -232.369 89.314 51.622 1.00 0.00 O ATOM 291 CB LEU A 20 -235.044 87.990 51.502 1.00 0.00 C ATOM 292 CG LEU A 20 -234.374 86.644 51.793 1.00 0.00 C ATOM 293 CD1 LEU A 20 -234.741 86.133 53.174 1.00 0.00 C ATOM 294 CD2 LEU A 20 -234.750 85.628 50.730 1.00 0.00 C ATOM 0 HA LEU A 20 -235.091 89.022 53.391 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -236.124 87.863 51.580 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -234.829 88.268 50.470 1.00 0.00 H new ATOM 0 HG LEU A 20 -233.294 86.792 51.770 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -234.250 85.176 53.350 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -234.416 86.852 53.926 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -235.821 86.004 53.239 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -234.267 84.676 50.949 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -235.832 85.493 50.722 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -234.422 85.985 49.754 1.00 0.00 H new ATOM 306 N THR A 21 -232.658 88.944 53.817 1.00 0.00 N ATOM 307 CA THR A 21 -231.245 88.783 54.065 1.00 0.00 C ATOM 308 C THR A 21 -230.856 87.307 54.032 1.00 0.00 C ATOM 309 O THR A 21 -231.218 86.544 54.914 1.00 0.00 O ATOM 310 CB THR A 21 -230.808 89.413 55.411 1.00 0.00 C ATOM 311 OG1 THR A 21 -230.685 90.830 55.263 1.00 0.00 O ATOM 312 CG2 THR A 21 -229.483 88.848 55.901 1.00 0.00 C ATOM 0 H THR A 21 -233.247 88.895 54.648 1.00 0.00 H new ATOM 0 HA THR A 21 -230.723 89.312 53.268 1.00 0.00 H new ATOM 0 HB THR A 21 -231.573 89.172 56.149 1.00 0.00 H new ATOM 0 HG1 THR A 21 -230.410 91.225 56.117 1.00 0.00 H new ATOM 0 HG21 THR A 21 -229.215 89.318 56.847 1.00 0.00 H new ATOM 0 HG22 THR A 21 -229.577 87.772 56.044 1.00 0.00 H new ATOM 0 HG23 THR A 21 -228.706 89.049 55.163 1.00 0.00 H new ATOM 320 N VAL A 22 -230.132 86.898 53.008 1.00 0.00 N ATOM 321 CA VAL A 22 -229.627 85.533 52.955 1.00 0.00 C ATOM 322 C VAL A 22 -228.195 85.508 53.487 1.00 0.00 C ATOM 323 O VAL A 22 -227.285 86.049 52.859 1.00 0.00 O ATOM 324 CB VAL A 22 -229.648 84.968 51.517 1.00 0.00 C ATOM 325 CG1 VAL A 22 -229.172 83.520 51.495 1.00 0.00 C ATOM 326 CG2 VAL A 22 -231.041 85.088 50.916 1.00 0.00 C ATOM 0 H VAL A 22 -229.881 87.480 52.209 1.00 0.00 H new ATOM 0 HA VAL A 22 -230.276 84.909 53.569 1.00 0.00 H new ATOM 0 HB VAL A 22 -228.961 85.557 50.909 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -229.196 83.145 50.472 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -228.153 83.466 51.878 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -229.827 82.912 52.120 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -231.036 84.685 49.903 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -231.750 84.528 51.526 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -231.336 86.137 50.888 1.00 0.00 H new ATOM 336 N ILE A 23 -228.004 84.906 54.647 1.00 0.00 N ATOM 337 CA ILE A 23 -226.687 84.827 55.264 1.00 0.00 C ATOM 338 C ILE A 23 -226.234 83.383 55.379 1.00 0.00 C ATOM 339 O ILE A 23 -227.021 82.456 55.184 1.00 0.00 O ATOM 340 CB ILE A 23 -226.662 85.436 56.682 1.00 0.00 C ATOM 341 CG1 ILE A 23 -227.864 84.965 57.500 1.00 0.00 C ATOM 342 CG2 ILE A 23 -226.607 86.954 56.617 1.00 0.00 C ATOM 343 CD1 ILE A 23 -227.821 85.405 58.949 1.00 0.00 C ATOM 0 H ILE A 23 -228.747 84.461 55.186 1.00 0.00 H new ATOM 0 HA ILE A 23 -226.019 85.396 54.617 1.00 0.00 H new ATOM 0 HB ILE A 23 -225.759 85.088 57.184 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -228.777 85.344 57.041 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -227.916 83.877 57.461 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -226.590 87.361 57.628 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -225.706 87.263 56.086 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -227.485 87.328 56.090 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -228.705 85.035 59.468 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -226.926 85.003 59.425 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -227.801 86.494 58.998 1.00 0.00 H new ATOM 355 N LYS A 24 -224.967 83.190 55.698 1.00 0.00 N ATOM 356 CA LYS A 24 -224.486 81.874 56.059 1.00 0.00 C ATOM 357 C LYS A 24 -223.995 81.918 57.501 1.00 0.00 C ATOM 358 O LYS A 24 -222.867 82.322 57.782 1.00 0.00 O ATOM 359 CB LYS A 24 -223.369 81.418 55.116 1.00 0.00 C ATOM 360 CG LYS A 24 -223.444 79.943 54.747 1.00 0.00 C ATOM 361 CD LYS A 24 -222.205 79.510 53.977 1.00 0.00 C ATOM 362 CE LYS A 24 -222.322 78.083 53.460 1.00 0.00 C ATOM 363 NZ LYS A 24 -222.433 77.090 54.559 1.00 0.00 N ATOM 0 H LYS A 24 -224.259 83.924 55.714 1.00 0.00 H new ATOM 0 HA LYS A 24 -225.297 81.152 55.968 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -223.409 82.014 54.204 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -222.406 81.618 55.585 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -223.543 79.343 55.651 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -224.334 79.760 54.144 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -222.045 80.187 53.138 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -221.331 79.591 54.623 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -223.196 78.004 52.813 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -221.451 77.848 52.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -222.173 76.148 54.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -221.792 77.356 55.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -223.411 77.069 54.911 1.00 0.00 H new ATOM 377 N ALA A 25 -224.870 81.519 58.405 1.00 0.00 N ATOM 378 CA ALA A 25 -224.610 81.577 59.833 1.00 0.00 C ATOM 379 C ALA A 25 -224.214 80.210 60.327 1.00 0.00 C ATOM 380 O ALA A 25 -224.357 79.234 59.615 1.00 0.00 O ATOM 381 CB ALA A 25 -225.857 82.088 60.551 1.00 0.00 C ATOM 0 H ALA A 25 -225.788 81.143 58.168 1.00 0.00 H new ATOM 0 HA ALA A 25 -223.789 82.263 60.040 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -225.667 82.133 61.623 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -226.106 83.084 60.184 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -226.690 81.412 60.359 1.00 0.00 H new ATOM 387 N PRO A 26 -223.698 80.116 61.540 1.00 0.00 N ATOM 388 CA PRO A 26 -223.242 78.851 62.072 1.00 0.00 C ATOM 389 C PRO A 26 -224.402 77.906 62.334 1.00 0.00 C ATOM 390 O PRO A 26 -225.463 78.331 62.769 1.00 0.00 O ATOM 391 CB PRO A 26 -222.498 79.224 63.354 1.00 0.00 C ATOM 392 CG PRO A 26 -222.530 80.716 63.462 1.00 0.00 C ATOM 393 CD PRO A 26 -223.549 81.217 62.493 1.00 0.00 C ATOM 0 HA PRO A 26 -222.600 78.313 61.375 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -222.971 78.765 64.222 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -221.470 78.862 63.322 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -222.784 81.021 64.477 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -221.550 81.137 63.239 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -224.492 81.447 62.988 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -223.217 82.130 62.000 1.00 0.00 H new ATOM 401 N ARG A 27 -224.203 76.616 62.065 1.00 0.00 N ATOM 402 CA ARG A 27 -225.255 75.612 62.271 1.00 0.00 C ATOM 403 C ARG A 27 -225.563 75.476 63.766 1.00 0.00 C ATOM 404 O ARG A 27 -226.384 74.668 64.181 1.00 0.00 O ATOM 405 CB ARG A 27 -224.840 74.255 61.703 1.00 0.00 C ATOM 406 CG ARG A 27 -224.359 74.321 60.265 1.00 0.00 C ATOM 407 CD ARG A 27 -224.361 72.955 59.607 1.00 0.00 C ATOM 408 NE ARG A 27 -225.708 72.548 59.202 1.00 0.00 N ATOM 409 CZ ARG A 27 -225.958 71.522 58.388 1.00 0.00 C ATOM 410 NH1 ARG A 27 -224.975 70.715 58.007 1.00 0.00 N ATOM 411 NH2 ARG A 27 -227.199 71.281 57.986 1.00 0.00 N ATOM 0 H ARG A 27 -223.326 76.239 61.705 1.00 0.00 H new ATOM 0 HA ARG A 27 -226.149 75.945 61.744 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -224.047 73.837 62.324 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -225.686 73.571 61.763 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -224.998 74.998 59.699 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -223.352 74.736 60.237 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -223.708 72.971 58.734 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -223.951 72.218 60.298 1.00 0.00 H new ATOM 0 HE ARG A 27 -226.500 73.080 59.563 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -224.024 70.879 58.337 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -225.171 69.931 57.384 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -227.962 71.881 58.300 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -227.390 70.496 57.363 1.00 0.00 H new ATOM 425 N VAL A 28 -224.844 76.252 64.562 1.00 0.00 N ATOM 426 CA VAL A 28 -225.035 76.309 65.996 1.00 0.00 C ATOM 427 C VAL A 28 -225.544 77.686 66.412 1.00 0.00 C ATOM 428 O VAL A 28 -225.789 77.930 67.596 1.00 0.00 O ATOM 429 CB VAL A 28 -223.726 76.008 66.757 1.00 0.00 C ATOM 430 CG1 VAL A 28 -223.220 74.618 66.417 1.00 0.00 C ATOM 431 CG2 VAL A 28 -222.660 77.053 66.450 1.00 0.00 C ATOM 0 H VAL A 28 -224.103 76.866 64.223 1.00 0.00 H new ATOM 0 HA VAL A 28 -225.772 75.548 66.252 1.00 0.00 H new ATOM 0 HB VAL A 28 -223.941 76.049 67.825 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -222.297 74.423 66.963 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -223.970 73.879 66.698 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -223.029 74.552 65.346 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -221.749 76.816 67.000 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -222.449 77.054 65.381 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -223.019 78.038 66.750 1.00 0.00 H new ATOM 441 N SER A 29 -225.678 78.598 65.443 1.00 0.00 N ATOM 442 CA SER A 29 -226.240 79.913 65.723 1.00 0.00 C ATOM 443 C SER A 29 -227.646 79.767 66.260 1.00 0.00 C ATOM 444 O SER A 29 -228.518 79.180 65.618 1.00 0.00 O ATOM 445 CB SER A 29 -226.235 80.803 64.475 1.00 0.00 C ATOM 446 OG SER A 29 -227.047 80.267 63.445 1.00 0.00 O ATOM 0 H SER A 29 -225.407 78.448 64.471 1.00 0.00 H new ATOM 0 HA SER A 29 -225.616 80.396 66.475 1.00 0.00 H new ATOM 0 HB2 SER A 29 -226.591 81.799 64.737 1.00 0.00 H new ATOM 0 HB3 SER A 29 -225.213 80.915 64.112 1.00 0.00 H new ATOM 0 HG SER A 29 -226.769 79.347 63.255 1.00 0.00 H new ATOM 452 N THR A 30 -227.858 80.246 67.463 1.00 0.00 N ATOM 453 CA THR A 30 -229.184 80.272 68.002 1.00 0.00 C ATOM 454 C THR A 30 -229.787 81.634 67.711 1.00 0.00 C ATOM 455 O THR A 30 -229.170 82.435 67.004 1.00 0.00 O ATOM 456 CB THR A 30 -229.211 79.976 69.507 1.00 0.00 C ATOM 457 OG1 THR A 30 -228.734 81.109 70.245 1.00 0.00 O ATOM 458 CG2 THR A 30 -228.351 78.770 69.838 1.00 0.00 C ATOM 0 H THR A 30 -227.133 80.618 68.077 1.00 0.00 H new ATOM 0 HA THR A 30 -229.771 79.485 67.528 1.00 0.00 H new ATOM 0 HB THR A 30 -230.243 79.764 69.786 1.00 0.00 H new ATOM 0 HG1 THR A 30 -227.873 81.400 69.878 1.00 0.00 H new ATOM 0 HG21 THR A 30 -228.387 78.581 70.911 1.00 0.00 H new ATOM 0 HG22 THR A 30 -228.726 77.898 69.303 1.00 0.00 H new ATOM 0 HG23 THR A 30 -227.321 78.964 69.538 1.00 0.00 H new ATOM 466 N ALA A 31 -230.973 81.911 68.238 1.00 0.00 N ATOM 467 CA ALA A 31 -231.647 83.164 67.933 1.00 0.00 C ATOM 468 C ALA A 31 -230.760 84.346 68.271 1.00 0.00 C ATOM 469 O ALA A 31 -230.527 85.191 67.427 1.00 0.00 O ATOM 470 CB ALA A 31 -232.983 83.252 68.660 1.00 0.00 C ATOM 0 H ALA A 31 -231.482 81.293 68.870 1.00 0.00 H new ATOM 0 HA ALA A 31 -231.849 83.192 66.862 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -233.468 84.197 68.416 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -233.622 82.425 68.349 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -232.816 83.196 69.736 1.00 0.00 H new ATOM 476 N GLN A 32 -230.206 84.362 69.471 1.00 0.00 N ATOM 477 CA GLN A 32 -229.358 85.470 69.896 1.00 0.00 C ATOM 478 C GLN A 32 -228.114 85.603 69.011 1.00 0.00 C ATOM 479 O GLN A 32 -227.616 86.709 68.802 1.00 0.00 O ATOM 480 CB GLN A 32 -228.953 85.298 71.362 1.00 0.00 C ATOM 481 CG GLN A 32 -229.491 86.386 72.284 1.00 0.00 C ATOM 482 CD GLN A 32 -228.696 87.684 72.230 1.00 0.00 C ATOM 483 OE1 GLN A 32 -228.087 87.978 71.092 1.00 0.00 O flip ATOM 484 NE2 GLN A 32 -228.628 88.418 73.213 1.00 0.00 N flip ATOM 0 H GLN A 32 -230.325 83.626 70.167 1.00 0.00 H new ATOM 0 HA GLN A 32 -229.937 86.388 69.792 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -229.306 84.329 71.715 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -227.865 85.284 71.429 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -230.528 86.594 72.019 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -229.492 86.014 73.308 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -229.109 88.162 74.075 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -228.090 89.283 73.167 1.00 0.00 H new ATOM 493 N ASP A 33 -227.625 84.492 68.475 1.00 0.00 N ATOM 494 CA ASP A 33 -226.409 84.517 67.667 1.00 0.00 C ATOM 495 C ASP A 33 -226.694 85.200 66.347 1.00 0.00 C ATOM 496 O ASP A 33 -226.044 86.172 65.960 1.00 0.00 O ATOM 497 CB ASP A 33 -225.927 83.096 67.381 1.00 0.00 C ATOM 498 CG ASP A 33 -225.436 82.369 68.615 1.00 0.00 C ATOM 499 OD1 ASP A 33 -224.246 82.506 68.965 1.00 0.00 O ATOM 500 OD2 ASP A 33 -226.241 81.642 69.239 1.00 0.00 O ATOM 0 H ASP A 33 -228.046 83.569 68.583 1.00 0.00 H new ATOM 0 HA ASP A 33 -225.640 85.058 68.219 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -226.742 82.527 66.933 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -225.123 83.134 66.646 1.00 0.00 H new ATOM 505 N VAL A 34 -227.713 84.682 65.695 1.00 0.00 N ATOM 506 CA VAL A 34 -228.180 85.180 64.420 1.00 0.00 C ATOM 507 C VAL A 34 -228.759 86.584 64.584 1.00 0.00 C ATOM 508 O VAL A 34 -228.728 87.388 63.655 1.00 0.00 O ATOM 509 CB VAL A 34 -229.199 84.192 63.834 1.00 0.00 C ATOM 510 CG1 VAL A 34 -230.585 84.396 64.402 1.00 0.00 C ATOM 511 CG2 VAL A 34 -229.175 84.262 62.331 1.00 0.00 C ATOM 0 H VAL A 34 -228.250 83.888 66.044 1.00 0.00 H new ATOM 0 HA VAL A 34 -227.349 85.259 63.719 1.00 0.00 H new ATOM 0 HB VAL A 34 -228.909 83.184 64.129 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -231.270 83.674 63.957 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -230.560 84.255 65.482 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -230.926 85.406 64.176 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -229.900 83.558 61.922 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -229.429 85.272 62.010 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -228.179 84.006 61.971 1.00 0.00 H new ATOM 521 N ILE A 35 -229.265 86.876 65.782 1.00 0.00 N ATOM 522 CA ILE A 35 -229.735 88.211 66.128 1.00 0.00 C ATOM 523 C ILE A 35 -228.629 89.243 65.911 1.00 0.00 C ATOM 524 O ILE A 35 -228.777 90.156 65.104 1.00 0.00 O ATOM 525 CB ILE A 35 -230.206 88.254 67.604 1.00 0.00 C ATOM 526 CG1 ILE A 35 -231.647 87.770 67.717 1.00 0.00 C ATOM 527 CG2 ILE A 35 -230.073 89.649 68.206 1.00 0.00 C ATOM 528 CD1 ILE A 35 -232.648 88.709 67.109 1.00 0.00 C ATOM 0 H ILE A 35 -229.359 86.195 66.535 1.00 0.00 H new ATOM 0 HA ILE A 35 -230.577 88.453 65.479 1.00 0.00 H new ATOM 0 HB ILE A 35 -229.556 87.587 68.171 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -231.733 86.797 67.233 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -231.891 87.625 68.769 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -230.414 89.633 69.241 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -229.029 89.962 68.173 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -230.680 90.351 67.635 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -233.651 88.298 67.227 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -232.590 89.676 67.609 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -232.431 88.836 66.048 1.00 0.00 H new ATOM 540 N GLN A 36 -227.498 89.056 66.583 1.00 0.00 N ATOM 541 CA GLN A 36 -226.404 90.023 66.524 1.00 0.00 C ATOM 542 C GLN A 36 -225.692 89.956 65.180 1.00 0.00 C ATOM 543 O GLN A 36 -225.190 90.965 64.682 1.00 0.00 O ATOM 544 CB GLN A 36 -225.412 89.788 67.662 1.00 0.00 C ATOM 545 CG GLN A 36 -226.004 90.043 69.037 1.00 0.00 C ATOM 546 CD GLN A 36 -225.009 89.822 70.156 1.00 0.00 C ATOM 547 OE1 GLN A 36 -224.901 88.717 70.692 1.00 0.00 O ATOM 548 NE2 GLN A 36 -224.274 90.864 70.511 1.00 0.00 N ATOM 0 H GLN A 36 -227.314 88.246 67.174 1.00 0.00 H new ATOM 0 HA GLN A 36 -226.831 91.019 66.637 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -225.052 88.760 67.614 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -224.547 90.436 67.520 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -226.374 91.067 69.084 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -226.862 89.387 69.185 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -224.398 91.760 70.039 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -223.584 90.771 71.256 1.00 0.00 H new ATOM 557 N GLN A 37 -225.632 88.766 64.597 1.00 0.00 N ATOM 558 CA GLN A 37 -225.082 88.606 63.274 1.00 0.00 C ATOM 559 C GLN A 37 -225.891 89.414 62.266 1.00 0.00 C ATOM 560 O GLN A 37 -225.335 90.003 61.340 1.00 0.00 O ATOM 561 CB GLN A 37 -225.062 87.129 62.900 1.00 0.00 C ATOM 562 CG GLN A 37 -224.087 86.827 61.790 1.00 0.00 C ATOM 563 CD GLN A 37 -223.747 85.355 61.688 1.00 0.00 C ATOM 564 OE1 GLN A 37 -224.549 84.496 62.036 1.00 0.00 O ATOM 565 NE2 GLN A 37 -222.552 85.054 61.199 1.00 0.00 N ATOM 0 H GLN A 37 -225.960 87.901 65.027 1.00 0.00 H new ATOM 0 HA GLN A 37 -224.058 88.980 63.262 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -224.801 86.539 63.778 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -226.062 86.821 62.594 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -224.507 87.164 60.842 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -223.171 87.396 61.953 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -221.913 85.798 60.920 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -222.272 84.078 61.101 1.00 0.00 H new ATOM 574 N THR A 38 -227.206 89.457 62.459 1.00 0.00 N ATOM 575 CA THR A 38 -228.070 90.275 61.623 1.00 0.00 C ATOM 576 C THR A 38 -227.939 91.751 62.009 1.00 0.00 C ATOM 577 O THR A 38 -228.094 92.630 61.168 1.00 0.00 O ATOM 578 CB THR A 38 -229.545 89.833 61.713 1.00 0.00 C ATOM 579 OG1 THR A 38 -229.644 88.430 61.433 1.00 0.00 O ATOM 580 CG2 THR A 38 -230.411 90.604 60.725 1.00 0.00 C ATOM 0 H THR A 38 -227.693 88.935 63.187 1.00 0.00 H new ATOM 0 HA THR A 38 -227.747 90.141 60.590 1.00 0.00 H new ATOM 0 HB THR A 38 -229.901 90.041 62.722 1.00 0.00 H new ATOM 0 HG1 THR A 38 -229.235 87.921 62.164 1.00 0.00 H new ATOM 0 HG21 THR A 38 -231.445 90.271 60.811 1.00 0.00 H new ATOM 0 HG22 THR A 38 -230.353 91.670 60.945 1.00 0.00 H new ATOM 0 HG23 THR A 38 -230.055 90.423 59.711 1.00 0.00 H new ATOM 588 N LEU A 39 -227.647 92.015 63.284 1.00 0.00 N ATOM 589 CA LEU A 39 -227.319 93.368 63.728 1.00 0.00 C ATOM 590 C LEU A 39 -226.152 93.916 62.910 1.00 0.00 C ATOM 591 O LEU A 39 -226.209 95.031 62.395 1.00 0.00 O ATOM 592 CB LEU A 39 -226.971 93.389 65.225 1.00 0.00 C ATOM 593 CG LEU A 39 -228.099 93.833 66.161 1.00 0.00 C ATOM 594 CD1 LEU A 39 -229.260 92.857 66.161 1.00 0.00 C ATOM 595 CD2 LEU A 39 -227.578 94.039 67.574 1.00 0.00 C ATOM 0 H LEU A 39 -227.631 91.312 64.023 1.00 0.00 H new ATOM 0 HA LEU A 39 -228.194 94.000 63.575 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -226.651 92.389 65.519 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -226.119 94.052 65.372 1.00 0.00 H new ATOM 0 HG LEU A 39 -228.473 94.784 65.781 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -230.035 93.214 66.839 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -229.668 92.777 65.153 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -228.912 91.878 66.491 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -228.396 94.354 68.221 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -227.159 93.104 67.947 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -226.804 94.806 67.568 1.00 0.00 H new ATOM 607 N CYS A 40 -225.103 93.109 62.774 1.00 0.00 N ATOM 608 CA CYS A 40 -223.946 93.473 61.958 1.00 0.00 C ATOM 609 C CYS A 40 -224.339 93.529 60.482 1.00 0.00 C ATOM 610 O CYS A 40 -223.892 94.396 59.728 1.00 0.00 O ATOM 611 CB CYS A 40 -222.818 92.457 62.164 1.00 0.00 C ATOM 612 SG CYS A 40 -222.351 92.213 63.896 1.00 0.00 S ATOM 0 H CYS A 40 -225.030 92.195 63.220 1.00 0.00 H new ATOM 0 HA CYS A 40 -223.595 94.458 62.265 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -223.125 91.499 61.743 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -221.941 92.785 61.605 1.00 0.00 H new ATOM 0 HG CYS A 40 -223.348 91.687 64.544 1.00 0.00 H new ATOM 618 N LYS A 41 -225.210 92.608 60.093 1.00 0.00 N ATOM 619 CA LYS A 41 -225.699 92.508 58.723 1.00 0.00 C ATOM 620 C LYS A 41 -226.618 93.687 58.378 1.00 0.00 C ATOM 621 O LYS A 41 -226.985 93.885 57.220 1.00 0.00 O ATOM 622 CB LYS A 41 -226.447 91.176 58.560 1.00 0.00 C ATOM 623 CG LYS A 41 -226.995 90.916 57.166 1.00 0.00 C ATOM 624 CD LYS A 41 -225.891 90.801 56.129 1.00 0.00 C ATOM 625 CE LYS A 41 -226.464 90.532 54.746 1.00 0.00 C ATOM 626 NZ LYS A 41 -227.443 91.581 54.344 1.00 0.00 N ATOM 0 H LYS A 41 -225.600 91.905 60.721 1.00 0.00 H new ATOM 0 HA LYS A 41 -224.853 92.542 58.037 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -225.773 90.362 58.827 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -227.274 91.151 59.270 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -227.582 89.997 57.173 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -227.671 91.724 56.887 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -225.307 91.721 56.111 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -225.210 89.997 56.406 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -225.654 90.491 54.018 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -226.951 89.557 54.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -227.646 91.495 53.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -228.323 91.460 54.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -227.044 92.521 54.539 1.00 0.00 H new ATOM 640 N ALA A 42 -226.988 94.461 59.390 1.00 0.00 N ATOM 641 CA ALA A 42 -227.863 95.611 59.204 1.00 0.00 C ATOM 642 C ALA A 42 -227.225 96.882 59.742 1.00 0.00 C ATOM 643 O ALA A 42 -227.896 97.911 59.844 1.00 0.00 O ATOM 644 CB ALA A 42 -229.194 95.363 59.892 1.00 0.00 C ATOM 0 H ALA A 42 -226.693 94.311 60.355 1.00 0.00 H new ATOM 0 HA ALA A 42 -228.027 95.745 58.135 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -229.844 96.226 59.749 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -229.666 94.479 59.463 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -229.029 95.205 60.958 1.00 0.00 H new ATOM 852 N ASP A 56 -233.507 93.955 72.715 1.00 0.00 N ATOM 853 CA ASP A 56 -234.847 94.340 72.288 1.00 0.00 C ATOM 854 C ASP A 56 -235.317 93.472 71.143 1.00 0.00 C ATOM 855 O ASP A 56 -236.408 93.667 70.621 1.00 0.00 O ATOM 856 CB ASP A 56 -234.883 95.806 71.850 1.00 0.00 C ATOM 857 CG ASP A 56 -234.619 96.766 72.988 1.00 0.00 C ATOM 858 OD1 ASP A 56 -233.440 96.979 73.335 1.00 0.00 O ATOM 859 OD2 ASP A 56 -235.596 97.315 73.541 1.00 0.00 O ATOM 0 HA ASP A 56 -235.511 94.204 73.141 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -234.141 95.965 71.068 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -235.858 96.026 71.414 1.00 0.00 H new ATOM 864 N TYR A 57 -234.516 92.488 70.775 1.00 0.00 N ATOM 865 CA TYR A 57 -234.787 91.712 69.578 1.00 0.00 C ATOM 866 C TYR A 57 -235.015 90.235 69.889 1.00 0.00 C ATOM 867 O TYR A 57 -234.287 89.628 70.673 1.00 0.00 O ATOM 868 CB TYR A 57 -233.617 91.816 68.591 1.00 0.00 C ATOM 869 CG TYR A 57 -233.481 93.144 67.886 1.00 0.00 C ATOM 870 CD1 TYR A 57 -233.134 94.296 68.576 1.00 0.00 C ATOM 871 CD2 TYR A 57 -233.682 93.236 66.514 1.00 0.00 C ATOM 872 CE1 TYR A 57 -232.996 95.504 67.921 1.00 0.00 C ATOM 873 CE2 TYR A 57 -233.546 94.440 65.851 1.00 0.00 C ATOM 874 CZ TYR A 57 -233.202 95.571 66.559 1.00 0.00 C ATOM 875 OH TYR A 57 -233.068 96.774 65.905 1.00 0.00 O ATOM 0 H TYR A 57 -233.678 92.208 71.284 1.00 0.00 H new ATOM 0 HA TYR A 57 -235.695 92.127 69.141 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -232.691 91.613 69.129 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -233.727 91.034 67.839 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -232.969 94.248 69.642 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -233.949 92.351 65.956 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -232.728 96.393 68.473 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -233.708 94.495 64.785 1.00 0.00 H new ATOM 0 HH TYR A 57 -233.246 96.648 64.949 1.00 0.00 H new ATOM 885 N VAL A 58 -236.050 89.690 69.282 1.00 0.00 N ATOM 886 CA VAL A 58 -236.227 88.251 69.160 1.00 0.00 C ATOM 887 C VAL A 58 -236.002 87.835 67.719 1.00 0.00 C ATOM 888 O VAL A 58 -235.759 88.669 66.843 1.00 0.00 O ATOM 889 CB VAL A 58 -237.642 87.784 69.554 1.00 0.00 C ATOM 890 CG1 VAL A 58 -237.752 87.544 71.044 1.00 0.00 C ATOM 891 CG2 VAL A 58 -238.674 88.808 69.113 1.00 0.00 C ATOM 0 H VAL A 58 -236.799 90.235 68.855 1.00 0.00 H new ATOM 0 HA VAL A 58 -235.507 87.794 69.838 1.00 0.00 H new ATOM 0 HB VAL A 58 -237.834 86.838 69.047 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -238.763 87.216 71.286 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -237.040 86.775 71.342 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -237.533 88.468 71.579 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -239.670 88.467 69.397 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -238.467 89.764 69.594 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -238.627 88.929 68.031 1.00 0.00 H new ATOM 901 N LEU A 59 -236.107 86.553 67.471 1.00 0.00 N ATOM 902 CA LEU A 59 -235.994 86.033 66.131 1.00 0.00 C ATOM 903 C LEU A 59 -237.169 85.096 65.886 1.00 0.00 C ATOM 904 O LEU A 59 -237.512 84.282 66.740 1.00 0.00 O ATOM 905 CB LEU A 59 -234.629 85.346 65.969 1.00 0.00 C ATOM 906 CG LEU A 59 -234.198 84.963 64.545 1.00 0.00 C ATOM 907 CD1 LEU A 59 -235.013 83.802 64.014 1.00 0.00 C ATOM 908 CD2 LEU A 59 -234.298 86.162 63.612 1.00 0.00 C ATOM 0 H LEU A 59 -236.272 85.845 68.186 1.00 0.00 H new ATOM 0 HA LEU A 59 -236.037 86.825 65.383 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -233.868 86.005 66.386 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -234.633 84.440 66.575 1.00 0.00 H new ATOM 0 HG LEU A 59 -233.156 84.645 64.588 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -234.682 83.557 63.005 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -234.876 82.936 64.661 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -236.068 84.077 63.994 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -233.988 85.869 62.609 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -235.328 86.517 63.585 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -233.649 86.960 63.974 1.00 0.00 H new ATOM 920 N LEU A 60 -237.816 85.263 64.749 1.00 0.00 N ATOM 921 CA LEU A 60 -239.014 84.508 64.428 1.00 0.00 C ATOM 922 C LEU A 60 -238.679 83.337 63.524 1.00 0.00 C ATOM 923 O LEU A 60 -238.074 83.513 62.474 1.00 0.00 O ATOM 924 CB LEU A 60 -240.045 85.395 63.710 1.00 0.00 C ATOM 925 CG LEU A 60 -240.783 86.452 64.560 1.00 0.00 C ATOM 926 CD1 LEU A 60 -241.840 85.801 65.423 1.00 0.00 C ATOM 927 CD2 LEU A 60 -239.829 87.267 65.416 1.00 0.00 C ATOM 0 H LEU A 60 -237.529 85.922 64.025 1.00 0.00 H new ATOM 0 HA LEU A 60 -239.433 84.146 65.367 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -239.537 85.912 62.896 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -240.793 84.744 63.257 1.00 0.00 H new ATOM 0 HG LEU A 60 -241.267 87.140 63.866 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -242.348 86.563 66.014 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -242.565 85.291 64.788 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -241.370 85.078 66.090 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -240.394 87.997 65.996 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -239.291 86.604 66.093 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -239.117 87.786 64.774 1.00 0.00 H new ATOM 939 N GLU A 61 -239.070 82.150 63.923 1.00 0.00 N ATOM 940 CA GLU A 61 -238.987 81.015 63.038 1.00 0.00 C ATOM 941 C GLU A 61 -240.286 80.930 62.234 1.00 0.00 C ATOM 942 O GLU A 61 -241.261 80.283 62.622 1.00 0.00 O ATOM 943 CB GLU A 61 -238.697 79.713 63.809 1.00 0.00 C ATOM 944 CG GLU A 61 -239.847 79.217 64.681 1.00 0.00 C ATOM 945 CD GLU A 61 -239.656 77.801 65.182 1.00 0.00 C ATOM 946 OE1 GLU A 61 -239.855 76.863 64.388 1.00 0.00 O ATOM 947 OE2 GLU A 61 -239.337 77.620 66.375 1.00 0.00 O ATOM 0 H GLU A 61 -239.446 81.947 64.849 1.00 0.00 H new ATOM 0 HA GLU A 61 -238.150 81.147 62.352 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -238.440 78.933 63.093 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -237.822 79.868 64.440 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -239.959 79.885 65.535 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -240.774 79.271 64.111 1.00 0.00 H new ATOM 954 N GLU A 62 -240.332 81.649 61.137 1.00 0.00 N ATOM 955 CA GLU A 62 -241.469 81.569 60.272 1.00 0.00 C ATOM 956 C GLU A 62 -241.287 80.405 59.318 1.00 0.00 C ATOM 957 O GLU A 62 -240.301 80.334 58.598 1.00 0.00 O ATOM 958 CB GLU A 62 -241.590 82.868 59.490 1.00 0.00 C ATOM 959 CG GLU A 62 -242.987 83.134 59.009 1.00 0.00 C ATOM 960 CD GLU A 62 -243.084 84.330 58.081 1.00 0.00 C ATOM 961 OE1 GLU A 62 -242.601 84.239 56.932 1.00 0.00 O ATOM 962 OE2 GLU A 62 -243.650 85.363 58.493 1.00 0.00 O ATOM 0 H GLU A 62 -239.599 82.288 60.830 1.00 0.00 H new ATOM 0 HA GLU A 62 -242.376 81.415 60.857 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -241.264 83.696 60.119 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -240.917 82.834 58.633 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -243.360 82.250 58.492 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -243.635 83.297 59.870 1.00 0.00 H new ATOM 969 N VAL A 63 -242.230 79.487 59.331 1.00 0.00 N ATOM 970 CA VAL A 63 -242.208 78.369 58.406 1.00 0.00 C ATOM 971 C VAL A 63 -243.409 78.441 57.469 1.00 0.00 C ATOM 972 O VAL A 63 -244.563 78.403 57.899 1.00 0.00 O ATOM 973 CB VAL A 63 -242.145 77.003 59.139 1.00 0.00 C ATOM 974 CG1 VAL A 63 -242.928 77.050 60.441 1.00 0.00 C ATOM 975 CG2 VAL A 63 -242.641 75.889 58.232 1.00 0.00 C ATOM 0 H VAL A 63 -243.023 79.491 59.972 1.00 0.00 H new ATOM 0 HA VAL A 63 -241.296 78.444 57.813 1.00 0.00 H new ATOM 0 HB VAL A 63 -241.105 76.793 59.390 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -242.869 76.081 60.936 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -242.507 77.816 61.092 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -243.971 77.287 60.230 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -242.590 74.938 58.762 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -243.673 76.088 57.942 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -242.017 75.841 57.340 1.00 0.00 H new ATOM 985 N VAL A 64 -243.121 78.574 56.184 1.00 0.00 N ATOM 986 CA VAL A 64 -244.154 78.742 55.181 1.00 0.00 C ATOM 987 C VAL A 64 -244.721 77.397 54.751 1.00 0.00 C ATOM 988 O VAL A 64 -244.081 76.644 54.016 1.00 0.00 O ATOM 989 CB VAL A 64 -243.616 79.495 53.945 1.00 0.00 C ATOM 990 CG1 VAL A 64 -244.708 79.689 52.905 1.00 0.00 C ATOM 991 CG2 VAL A 64 -243.024 80.836 54.354 1.00 0.00 C ATOM 0 H VAL A 64 -242.171 78.568 55.812 1.00 0.00 H new ATOM 0 HA VAL A 64 -244.950 79.334 55.633 1.00 0.00 H new ATOM 0 HB VAL A 64 -242.828 78.889 53.497 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -244.301 80.222 52.046 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -245.083 78.717 52.585 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -245.524 80.268 53.338 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -242.650 81.353 53.471 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -243.793 81.443 54.831 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -242.204 80.674 55.054 1.00 0.00 H new ATOM 1199 N SER A 77 -247.678 81.568 55.767 1.00 0.00 N ATOM 1200 CA SER A 77 -246.450 81.583 56.532 1.00 0.00 C ATOM 1201 C SER A 77 -246.752 81.567 58.026 1.00 0.00 C ATOM 1202 O SER A 77 -247.234 82.552 58.590 1.00 0.00 O ATOM 1203 CB SER A 77 -245.619 82.811 56.147 1.00 0.00 C ATOM 1204 OG SER A 77 -246.427 83.976 56.071 1.00 0.00 O ATOM 0 HA SER A 77 -245.872 80.688 56.303 1.00 0.00 H new ATOM 0 HB2 SER A 77 -244.827 82.962 56.881 1.00 0.00 H new ATOM 0 HB3 SER A 77 -245.134 82.638 55.186 1.00 0.00 H new ATOM 0 HG SER A 77 -247.363 83.717 55.943 1.00 0.00 H new ATOM 1210 N SER A 78 -246.498 80.430 58.653 1.00 0.00 N ATOM 1211 CA SER A 78 -246.708 80.283 60.079 1.00 0.00 C ATOM 1212 C SER A 78 -245.511 80.847 60.829 1.00 0.00 C ATOM 1213 O SER A 78 -244.441 80.236 60.861 1.00 0.00 O ATOM 1214 CB SER A 78 -246.909 78.806 60.423 1.00 0.00 C ATOM 1215 OG SER A 78 -247.892 78.224 59.579 1.00 0.00 O ATOM 0 H SER A 78 -246.144 79.592 58.191 1.00 0.00 H new ATOM 0 HA SER A 78 -247.601 80.833 60.376 1.00 0.00 H new ATOM 0 HB2 SER A 78 -245.966 78.270 60.314 1.00 0.00 H new ATOM 0 HB3 SER A 78 -247.213 78.708 61.465 1.00 0.00 H new ATOM 0 HG SER A 78 -248.006 77.279 59.813 1.00 0.00 H new ATOM 1221 N GLN A 79 -245.681 82.019 61.417 1.00 0.00 N ATOM 1222 CA GLN A 79 -244.583 82.678 62.091 1.00 0.00 C ATOM 1223 C GLN A 79 -244.611 82.331 63.575 1.00 0.00 C ATOM 1224 O GLN A 79 -245.652 82.421 64.225 1.00 0.00 O ATOM 1225 CB GLN A 79 -244.689 84.192 61.900 1.00 0.00 C ATOM 1226 CG GLN A 79 -243.357 84.908 62.005 1.00 0.00 C ATOM 1227 CD GLN A 79 -243.489 86.415 61.887 1.00 0.00 C ATOM 1228 OE1 GLN A 79 -243.640 87.121 62.884 1.00 0.00 O ATOM 1229 NE2 GLN A 79 -243.450 86.921 60.664 1.00 0.00 N ATOM 0 H GLN A 79 -246.564 82.529 61.440 1.00 0.00 H new ATOM 0 HA GLN A 79 -243.640 82.336 61.664 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -245.127 84.397 60.923 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -245.371 84.598 62.647 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -242.892 84.662 62.960 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -242.691 84.544 61.223 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -243.323 86.305 59.861 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -243.547 87.927 60.525 1.00 0.00 H new ATOM 1238 N ARG A 80 -243.466 81.932 64.100 1.00 0.00 N ATOM 1239 CA ARG A 80 -243.338 81.578 65.501 1.00 0.00 C ATOM 1240 C ARG A 80 -242.197 82.378 66.104 1.00 0.00 C ATOM 1241 O ARG A 80 -241.262 82.714 65.399 1.00 0.00 O ATOM 1242 CB ARG A 80 -243.050 80.083 65.629 1.00 0.00 C ATOM 1243 CG ARG A 80 -243.140 79.579 67.056 1.00 0.00 C ATOM 1244 CD ARG A 80 -242.587 78.172 67.200 1.00 0.00 C ATOM 1245 NE ARG A 80 -242.677 77.697 68.580 1.00 0.00 N ATOM 1246 CZ ARG A 80 -241.637 77.277 69.302 1.00 0.00 C ATOM 1247 NH1 ARG A 80 -240.418 77.244 68.781 1.00 0.00 N ATOM 1248 NH2 ARG A 80 -241.825 76.880 70.555 1.00 0.00 N ATOM 0 H ARG A 80 -242.600 81.845 63.567 1.00 0.00 H new ATOM 0 HA ARG A 80 -244.265 81.804 66.029 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -243.755 79.529 65.009 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -242.053 79.877 65.240 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -242.591 80.253 67.714 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -244.180 79.594 67.381 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -243.137 77.496 66.545 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -241.547 78.154 66.876 1.00 0.00 H new ATOM 0 HE ARG A 80 -243.597 77.686 69.020 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -240.267 77.542 67.817 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -239.631 76.921 69.344 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -242.761 76.897 70.960 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -241.034 76.558 71.112 1.00 0.00 H new ATOM 1262 N VAL A 81 -242.254 82.700 67.385 1.00 0.00 N ATOM 1263 CA VAL A 81 -241.189 83.485 67.983 1.00 0.00 C ATOM 1264 C VAL A 81 -240.305 82.614 68.867 1.00 0.00 C ATOM 1265 O VAL A 81 -240.799 81.750 69.594 1.00 0.00 O ATOM 1266 CB VAL A 81 -241.723 84.666 68.808 1.00 0.00 C ATOM 1267 CG1 VAL A 81 -240.828 85.882 68.614 1.00 0.00 C ATOM 1268 CG2 VAL A 81 -243.171 84.991 68.458 1.00 0.00 C ATOM 0 H VAL A 81 -243.009 82.437 68.019 1.00 0.00 H new ATOM 0 HA VAL A 81 -240.602 83.887 67.157 1.00 0.00 H new ATOM 0 HB VAL A 81 -241.706 84.380 69.860 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -241.213 86.715 69.202 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -239.816 85.645 68.941 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -240.813 86.158 67.560 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -243.512 85.832 69.063 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -243.240 85.252 67.402 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -243.798 84.122 68.659 1.00 0.00 H new ATOM 1278 N LEU A 82 -239.002 82.849 68.796 1.00 0.00 N ATOM 1279 CA LEU A 82 -238.031 82.050 69.529 1.00 0.00 C ATOM 1280 C LEU A 82 -237.633 82.714 70.833 1.00 0.00 C ATOM 1281 O LEU A 82 -237.758 83.927 70.997 1.00 0.00 O ATOM 1282 CB LEU A 82 -236.758 81.875 68.702 1.00 0.00 C ATOM 1283 CG LEU A 82 -236.948 81.385 67.274 1.00 0.00 C ATOM 1284 CD1 LEU A 82 -235.653 81.544 66.509 1.00 0.00 C ATOM 1285 CD2 LEU A 82 -237.403 79.938 67.259 1.00 0.00 C ATOM 0 H LEU A 82 -238.591 83.593 68.233 1.00 0.00 H new ATOM 0 HA LEU A 82 -238.503 81.089 69.733 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -236.236 82.831 68.670 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -236.106 81.173 69.221 1.00 0.00 H new ATOM 0 HG LEU A 82 -237.722 81.984 66.794 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -235.789 81.193 65.486 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -235.364 82.595 66.497 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -234.871 80.959 66.992 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -237.533 79.608 66.228 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -236.653 79.316 67.748 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -238.351 79.849 67.790 1.00 0.00 H new ATOM 1297 N LEU A 83 -237.160 81.897 71.758 1.00 0.00 N ATOM 1298 CA LEU A 83 -236.408 82.381 72.894 1.00 0.00 C ATOM 1299 C LEU A 83 -235.002 82.703 72.410 1.00 0.00 C ATOM 1300 O LEU A 83 -234.624 82.312 71.302 1.00 0.00 O ATOM 1301 CB LEU A 83 -236.340 81.320 73.999 1.00 0.00 C ATOM 1302 CG LEU A 83 -237.682 80.718 74.420 1.00 0.00 C ATOM 1303 CD1 LEU A 83 -237.485 79.702 75.533 1.00 0.00 C ATOM 1304 CD2 LEU A 83 -238.644 81.806 74.853 1.00 0.00 C ATOM 0 H LEU A 83 -237.287 80.885 71.740 1.00 0.00 H new ATOM 0 HA LEU A 83 -236.894 83.264 73.309 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -235.689 80.513 73.663 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -235.870 81.764 74.876 1.00 0.00 H new ATOM 0 HG LEU A 83 -238.113 80.205 73.560 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -238.450 79.284 75.819 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -236.833 78.902 75.184 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -237.031 80.190 76.395 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -239.592 81.357 75.148 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -238.222 82.350 75.698 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -238.811 82.495 74.025 1.00 0.00 H new ATOM 1316 N ASP A 84 -234.224 83.378 73.237 1.00 0.00 N ATOM 1317 CA ASP A 84 -232.851 83.743 72.884 1.00 0.00 C ATOM 1318 C ASP A 84 -232.041 82.527 72.437 1.00 0.00 C ATOM 1319 O ASP A 84 -231.270 82.609 71.478 1.00 0.00 O ATOM 1320 CB ASP A 84 -232.166 84.440 74.062 1.00 0.00 C ATOM 1321 CG ASP A 84 -232.648 83.922 75.399 1.00 0.00 C ATOM 1322 OD1 ASP A 84 -232.122 82.898 75.872 1.00 0.00 O ATOM 1323 OD2 ASP A 84 -233.581 84.531 75.964 1.00 0.00 O ATOM 0 H ASP A 84 -234.515 83.689 74.164 1.00 0.00 H new ATOM 0 HA ASP A 84 -232.898 84.434 72.042 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -231.088 84.298 73.988 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -232.351 85.513 74.003 1.00 0.00 H new ATOM 1328 N GLN A 85 -232.226 81.397 73.111 1.00 0.00 N ATOM 1329 CA GLN A 85 -231.531 80.182 72.745 1.00 0.00 C ATOM 1330 C GLN A 85 -232.505 79.059 72.394 1.00 0.00 C ATOM 1331 O GLN A 85 -232.237 77.886 72.664 1.00 0.00 O ATOM 1332 CB GLN A 85 -230.624 79.745 73.882 1.00 0.00 C ATOM 1333 CG GLN A 85 -229.414 80.640 74.081 1.00 0.00 C ATOM 1334 CD GLN A 85 -228.443 80.093 75.109 1.00 0.00 C ATOM 1335 OE1 GLN A 85 -228.536 80.393 76.298 1.00 0.00 O ATOM 1336 NE2 GLN A 85 -227.498 79.282 74.658 1.00 0.00 N ATOM 0 H GLN A 85 -232.852 81.304 73.911 1.00 0.00 H new ATOM 0 HA GLN A 85 -230.933 80.392 71.858 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -231.202 79.721 74.806 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -230.284 78.727 73.692 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -228.898 80.763 73.129 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -229.747 81.630 74.393 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -227.452 79.055 73.665 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -226.816 78.884 75.304 1.00 0.00 H new ATOM 1345 N GLU A 86 -233.629 79.412 71.766 1.00 0.00 N ATOM 1346 CA GLU A 86 -234.551 78.406 71.229 1.00 0.00 C ATOM 1347 C GLU A 86 -233.864 77.648 70.099 1.00 0.00 C ATOM 1348 O GLU A 86 -234.287 76.559 69.706 1.00 0.00 O ATOM 1349 CB GLU A 86 -235.820 79.083 70.722 1.00 0.00 C ATOM 1350 CG GLU A 86 -236.866 78.139 70.133 1.00 0.00 C ATOM 1351 CD GLU A 86 -237.466 77.187 71.149 1.00 0.00 C ATOM 1352 OE1 GLU A 86 -237.863 77.645 72.242 1.00 0.00 O ATOM 1353 OE2 GLU A 86 -237.574 75.980 70.848 1.00 0.00 O ATOM 0 H GLU A 86 -233.922 80.378 71.617 1.00 0.00 H new ATOM 0 HA GLU A 86 -234.826 77.703 72.015 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -236.273 79.634 71.546 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -235.544 79.815 69.962 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -237.665 78.730 69.685 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -236.409 77.560 69.330 1.00 0.00 H new ATOM 1360 N CYS A 87 -232.791 78.263 69.599 1.00 0.00 N ATOM 1361 CA CYS A 87 -231.938 77.686 68.577 1.00 0.00 C ATOM 1362 C CYS A 87 -232.543 77.791 67.186 1.00 0.00 C ATOM 1363 O CYS A 87 -233.520 77.122 66.867 1.00 0.00 O ATOM 1364 CB CYS A 87 -231.599 76.239 68.908 1.00 0.00 C ATOM 1365 SG CYS A 87 -230.260 76.042 70.103 1.00 0.00 S ATOM 0 H CYS A 87 -232.492 79.190 69.902 1.00 0.00 H new ATOM 0 HA CYS A 87 -231.017 78.269 68.569 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -232.492 75.749 69.297 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -231.327 75.722 67.987 1.00 0.00 H new ATOM 0 HG CYS A 87 -230.052 74.777 70.317 1.00 0.00 H new ATOM 1371 N VAL A 88 -231.939 78.650 66.373 1.00 0.00 N ATOM 1372 CA VAL A 88 -232.287 78.793 64.971 1.00 0.00 C ATOM 1373 C VAL A 88 -232.182 77.456 64.263 1.00 0.00 C ATOM 1374 O VAL A 88 -233.077 77.059 63.523 1.00 0.00 O ATOM 1375 CB VAL A 88 -231.336 79.793 64.270 1.00 0.00 C ATOM 1376 CG1 VAL A 88 -231.636 79.912 62.789 1.00 0.00 C ATOM 1377 CG2 VAL A 88 -231.419 81.151 64.924 1.00 0.00 C ATOM 0 H VAL A 88 -231.188 79.271 66.675 1.00 0.00 H new ATOM 0 HA VAL A 88 -233.311 79.163 64.920 1.00 0.00 H new ATOM 0 HB VAL A 88 -230.323 79.405 64.376 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -230.947 80.623 62.334 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -231.518 78.938 62.314 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -232.660 80.261 62.652 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -230.744 81.841 64.418 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -232.440 81.526 64.855 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -231.134 81.068 65.973 1.00 0.00 H new ATOM 1387 N PHE A 89 -231.093 76.752 64.517 1.00 0.00 N ATOM 1388 CA PHE A 89 -230.842 75.496 63.814 1.00 0.00 C ATOM 1389 C PHE A 89 -231.763 74.394 64.334 1.00 0.00 C ATOM 1390 O PHE A 89 -232.222 73.544 63.567 1.00 0.00 O ATOM 1391 CB PHE A 89 -229.362 75.091 63.899 1.00 0.00 C ATOM 1392 CG PHE A 89 -229.091 73.685 63.441 1.00 0.00 C ATOM 1393 CD1 PHE A 89 -228.945 73.398 62.095 1.00 0.00 C ATOM 1394 CD2 PHE A 89 -228.968 72.653 64.360 1.00 0.00 C ATOM 1395 CE1 PHE A 89 -228.686 72.110 61.671 1.00 0.00 C ATOM 1396 CE2 PHE A 89 -228.712 71.361 63.942 1.00 0.00 C ATOM 1397 CZ PHE A 89 -228.569 71.090 62.594 1.00 0.00 C ATOM 0 H PHE A 89 -230.376 77.018 65.192 1.00 0.00 H new ATOM 0 HA PHE A 89 -231.069 75.647 62.759 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -228.771 75.780 63.296 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -229.024 75.199 64.930 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -229.035 74.191 61.368 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -229.074 72.862 65.414 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -228.575 71.900 60.617 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -228.624 70.565 64.667 1.00 0.00 H new ATOM 0 HZ PHE A 89 -228.366 70.082 62.263 1.00 0.00 H new ATOM 1407 N GLN A 90 -232.045 74.422 65.633 1.00 0.00 N ATOM 1408 CA GLN A 90 -233.025 73.513 66.210 1.00 0.00 C ATOM 1409 C GLN A 90 -234.394 73.770 65.600 1.00 0.00 C ATOM 1410 O GLN A 90 -235.099 72.837 65.214 1.00 0.00 O ATOM 1411 CB GLN A 90 -233.097 73.673 67.729 1.00 0.00 C ATOM 1412 CG GLN A 90 -232.005 72.937 68.486 1.00 0.00 C ATOM 1413 CD GLN A 90 -232.250 72.895 69.988 1.00 0.00 C ATOM 1414 OE1 GLN A 90 -232.972 73.876 70.511 1.00 0.00 O flip ATOM 1415 NE2 GLN A 90 -231.807 71.973 70.670 1.00 0.00 N flip ATOM 0 H GLN A 90 -231.611 75.060 66.300 1.00 0.00 H new ATOM 0 HA GLN A 90 -232.713 72.493 65.987 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -233.042 74.734 67.974 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -234.067 73.316 68.075 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -231.931 71.918 68.107 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -231.047 73.420 68.293 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -231.255 71.235 70.233 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -231.991 71.946 71.673 1.00 0.00 H new ATOM 1424 N ALA A 91 -234.750 75.045 65.505 1.00 0.00 N ATOM 1425 CA ALA A 91 -236.006 75.456 64.901 1.00 0.00 C ATOM 1426 C ALA A 91 -236.078 75.003 63.449 1.00 0.00 C ATOM 1427 O ALA A 91 -237.079 74.446 63.018 1.00 0.00 O ATOM 1428 CB ALA A 91 -236.162 76.965 64.992 1.00 0.00 C ATOM 0 H ALA A 91 -234.177 75.818 65.844 1.00 0.00 H new ATOM 0 HA ALA A 91 -236.823 74.984 65.447 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -237.107 77.261 64.536 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -236.153 77.269 66.039 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -235.338 77.448 64.467 1.00 0.00 H new ATOM 1434 N GLN A 92 -234.996 75.227 62.709 1.00 0.00 N ATOM 1435 CA GLN A 92 -234.919 74.867 61.307 1.00 0.00 C ATOM 1436 C GLN A 92 -235.246 73.392 61.081 1.00 0.00 C ATOM 1437 O GLN A 92 -236.029 73.047 60.196 1.00 0.00 O ATOM 1438 CB GLN A 92 -233.513 75.146 60.786 1.00 0.00 C ATOM 1439 CG GLN A 92 -233.476 75.348 59.296 1.00 0.00 C ATOM 1440 CD GLN A 92 -232.173 74.912 58.659 1.00 0.00 C ATOM 1441 OE1 GLN A 92 -231.112 74.955 59.279 1.00 0.00 O ATOM 1442 NE2 GLN A 92 -232.249 74.474 57.412 1.00 0.00 N ATOM 0 H GLN A 92 -234.149 75.665 63.071 1.00 0.00 H new ATOM 0 HA GLN A 92 -235.654 75.467 60.771 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -233.117 76.034 61.279 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -232.860 74.315 61.052 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -234.297 74.793 58.842 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -233.644 76.402 59.076 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -233.149 74.454 56.932 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -231.408 74.156 56.931 1.00 0.00 H new ATOM 1451 N SER A 93 -234.640 72.527 61.886 1.00 0.00 N ATOM 1452 CA SER A 93 -234.857 71.086 61.772 1.00 0.00 C ATOM 1453 C SER A 93 -236.226 70.703 62.346 1.00 0.00 C ATOM 1454 O SER A 93 -236.658 69.549 62.274 1.00 0.00 O ATOM 1455 CB SER A 93 -233.734 70.333 62.498 1.00 0.00 C ATOM 1456 OG SER A 93 -233.820 68.933 62.285 1.00 0.00 O ATOM 0 H SER A 93 -233.993 72.797 62.627 1.00 0.00 H new ATOM 0 HA SER A 93 -234.842 70.807 60.718 1.00 0.00 H new ATOM 0 HB2 SER A 93 -232.767 70.696 62.149 1.00 0.00 H new ATOM 0 HB3 SER A 93 -233.786 70.543 63.566 1.00 0.00 H new ATOM 0 HG SER A 93 -234.762 68.665 62.245 1.00 0.00 H new ATOM 1462 N LYS A 94 -236.901 71.689 62.906 1.00 0.00 N ATOM 1463 CA LYS A 94 -238.199 71.494 63.520 1.00 0.00 C ATOM 1464 C LYS A 94 -239.305 71.926 62.553 1.00 0.00 C ATOM 1465 O LYS A 94 -240.492 71.726 62.818 1.00 0.00 O ATOM 1466 CB LYS A 94 -238.264 72.318 64.809 1.00 0.00 C ATOM 1467 CG LYS A 94 -239.415 71.972 65.732 1.00 0.00 C ATOM 1468 CD LYS A 94 -238.927 71.305 67.012 1.00 0.00 C ATOM 1469 CE LYS A 94 -237.965 72.202 67.779 1.00 0.00 C ATOM 1470 NZ LYS A 94 -237.577 71.619 69.088 1.00 0.00 N ATOM 0 H LYS A 94 -236.563 72.650 62.948 1.00 0.00 H new ATOM 0 HA LYS A 94 -238.344 70.440 63.756 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -237.329 72.187 65.354 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -238.334 73.373 64.545 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -239.967 72.878 65.981 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -240.108 71.308 65.216 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -239.781 71.061 67.644 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -238.433 70.365 66.768 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -237.071 72.370 67.179 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -238.429 73.175 67.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -236.922 72.264 69.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -238.426 71.482 69.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -237.111 70.702 68.935 1.00 0.00 H new ATOM 1484 N TRP A 95 -238.907 72.513 61.425 1.00 0.00 N ATOM 1485 CA TRP A 95 -239.860 73.036 60.450 1.00 0.00 C ATOM 1486 C TRP A 95 -240.571 71.937 59.685 1.00 0.00 C ATOM 1487 O TRP A 95 -240.119 70.791 59.626 1.00 0.00 O ATOM 1488 CB TRP A 95 -239.182 73.986 59.464 1.00 0.00 C ATOM 1489 CG TRP A 95 -238.863 75.301 60.077 1.00 0.00 C ATOM 1490 CD1 TRP A 95 -239.058 75.653 61.371 1.00 0.00 C ATOM 1491 CD2 TRP A 95 -238.308 76.437 59.429 1.00 0.00 C ATOM 1492 NE1 TRP A 95 -238.664 76.938 61.576 1.00 0.00 N ATOM 1493 CE2 TRP A 95 -238.197 77.451 60.395 1.00 0.00 C ATOM 1494 CE3 TRP A 95 -237.895 76.694 58.128 1.00 0.00 C ATOM 1495 CZ2 TRP A 95 -237.692 78.709 60.093 1.00 0.00 C ATOM 1496 CZ3 TRP A 95 -237.391 77.941 57.829 1.00 0.00 C ATOM 1497 CH2 TRP A 95 -237.292 78.932 58.806 1.00 0.00 C ATOM 0 H TRP A 95 -237.929 72.638 61.164 1.00 0.00 H new ATOM 0 HA TRP A 95 -240.607 73.585 61.024 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -238.265 73.528 59.094 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -239.833 74.137 58.603 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -239.468 75.005 62.131 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -238.709 77.438 62.464 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -237.967 75.932 57.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -237.618 79.480 60.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -237.067 78.155 56.821 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -236.890 79.898 58.539 1.00 0.00 H new ATOM 1508 N LYS A 96 -241.692 72.315 59.093 1.00 0.00 N ATOM 1509 CA LYS A 96 -242.490 71.401 58.285 1.00 0.00 C ATOM 1510 C LYS A 96 -242.771 72.047 56.938 1.00 0.00 C ATOM 1511 O LYS A 96 -243.703 71.679 56.225 1.00 0.00 O ATOM 1512 CB LYS A 96 -243.798 71.050 59.002 1.00 0.00 C ATOM 1513 CG LYS A 96 -243.592 70.240 60.272 1.00 0.00 C ATOM 1514 CD LYS A 96 -244.910 69.955 60.970 1.00 0.00 C ATOM 1515 CE LYS A 96 -244.719 69.124 62.231 1.00 0.00 C ATOM 1516 NZ LYS A 96 -244.191 67.765 61.939 1.00 0.00 N ATOM 0 H LYS A 96 -242.075 73.258 59.157 1.00 0.00 H new ATOM 0 HA LYS A 96 -241.937 70.474 58.132 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -244.327 71.971 59.249 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -244.437 70.488 58.321 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -243.097 69.300 60.029 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -242.931 70.783 60.948 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -245.396 70.897 61.226 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -245.576 69.429 60.286 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -244.034 69.641 62.903 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -245.672 69.036 62.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -244.237 67.182 62.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -244.763 67.324 61.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -243.203 67.837 61.622 1.00 0.00 H new ATOM 1530 N GLY A 97 -241.927 73.006 56.602 1.00 0.00 N ATOM 1531 CA GLY A 97 -242.063 73.747 55.375 1.00 0.00 C ATOM 1532 C GLY A 97 -240.934 74.739 55.236 1.00 0.00 C ATOM 1533 O GLY A 97 -240.188 74.955 56.192 1.00 0.00 O ATOM 0 H GLY A 97 -241.132 73.288 57.175 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -242.062 73.063 54.527 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -243.019 74.270 55.362 1.00 0.00 H new ATOM 1537 N ALA A 98 -240.799 75.344 54.072 1.00 0.00 N ATOM 1538 CA ALA A 98 -239.698 76.258 53.838 1.00 0.00 C ATOM 1539 C ALA A 98 -240.059 77.677 54.248 1.00 0.00 C ATOM 1540 O ALA A 98 -240.793 78.370 53.546 1.00 0.00 O ATOM 1541 CB ALA A 98 -239.264 76.216 52.381 1.00 0.00 C ATOM 0 H ALA A 98 -241.431 75.221 53.281 1.00 0.00 H new ATOM 0 HA ALA A 98 -238.862 75.934 54.458 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -238.437 76.909 52.228 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -238.943 75.206 52.126 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -240.101 76.503 51.744 1.00 0.00 H new ATOM 1547 N GLY A 99 -239.555 78.097 55.401 1.00 0.00 N ATOM 1548 CA GLY A 99 -239.796 79.445 55.856 1.00 0.00 C ATOM 1549 C GLY A 99 -238.535 80.284 55.830 1.00 0.00 C ATOM 1550 O GLY A 99 -237.642 80.057 55.011 1.00 0.00 O ATOM 0 H GLY A 99 -238.985 77.527 56.026 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -240.555 79.910 55.227 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -240.195 79.420 56.870 1.00 0.00 H new ATOM 1554 N LYS A 100 -238.460 81.232 56.747 1.00 0.00 N ATOM 1555 CA LYS A 100 -237.275 82.056 56.942 1.00 0.00 C ATOM 1556 C LYS A 100 -237.258 82.499 58.387 1.00 0.00 C ATOM 1557 O LYS A 100 -238.303 82.544 59.040 1.00 0.00 O ATOM 1558 CB LYS A 100 -237.230 83.312 56.045 1.00 0.00 C ATOM 1559 CG LYS A 100 -237.287 83.051 54.557 1.00 0.00 C ATOM 1560 CD LYS A 100 -238.705 83.182 54.059 1.00 0.00 C ATOM 1561 CE LYS A 100 -238.772 83.136 52.554 1.00 0.00 C ATOM 1562 NZ LYS A 100 -238.235 81.864 51.995 1.00 0.00 N ATOM 0 H LYS A 100 -239.225 81.455 57.384 1.00 0.00 H new ATOM 0 HA LYS A 100 -236.410 81.451 56.672 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -238.064 83.960 56.315 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -236.315 83.862 56.265 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -236.643 83.756 54.032 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -236.909 82.052 54.341 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -239.313 82.379 54.475 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -239.130 84.121 54.414 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -239.807 83.260 52.236 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -238.210 83.975 52.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -238.782 81.597 51.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -237.237 81.994 51.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -238.311 81.112 52.709 1.00 0.00 H new ATOM 1576 N PHE A 101 -236.092 82.800 58.899 1.00 0.00 N ATOM 1577 CA PHE A 101 -236.002 83.370 60.220 1.00 0.00 C ATOM 1578 C PHE A 101 -236.141 84.889 60.130 1.00 0.00 C ATOM 1579 O PHE A 101 -235.331 85.554 59.517 1.00 0.00 O ATOM 1580 CB PHE A 101 -234.687 82.944 60.864 1.00 0.00 C ATOM 1581 CG PHE A 101 -234.603 81.453 61.040 1.00 0.00 C ATOM 1582 CD1 PHE A 101 -235.164 80.844 62.152 1.00 0.00 C ATOM 1583 CD2 PHE A 101 -233.987 80.658 60.086 1.00 0.00 C ATOM 1584 CE1 PHE A 101 -235.111 79.474 62.311 1.00 0.00 C ATOM 1585 CE2 PHE A 101 -233.928 79.286 60.241 1.00 0.00 C ATOM 1586 CZ PHE A 101 -234.492 78.695 61.354 1.00 0.00 C ATOM 0 H PHE A 101 -235.199 82.662 58.427 1.00 0.00 H new ATOM 0 HA PHE A 101 -236.812 83.005 60.852 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -233.855 83.284 60.248 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -234.584 83.430 61.834 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -235.649 81.449 62.904 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -233.548 81.116 59.212 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -235.553 79.013 63.182 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -233.442 78.677 59.493 1.00 0.00 H new ATOM 0 HZ PHE A 101 -234.449 77.623 61.476 1.00 0.00 H new ATOM 1596 N ILE A 102 -237.183 85.433 60.728 1.00 0.00 N ATOM 1597 CA ILE A 102 -237.490 86.851 60.585 1.00 0.00 C ATOM 1598 C ILE A 102 -237.037 87.619 61.821 1.00 0.00 C ATOM 1599 O ILE A 102 -237.430 87.300 62.941 1.00 0.00 O ATOM 1600 CB ILE A 102 -239.013 87.082 60.348 1.00 0.00 C ATOM 1601 CG1 ILE A 102 -239.386 86.919 58.866 1.00 0.00 C ATOM 1602 CG2 ILE A 102 -239.446 88.461 60.829 1.00 0.00 C ATOM 1603 CD1 ILE A 102 -239.155 85.534 58.295 1.00 0.00 C ATOM 0 H ILE A 102 -237.835 84.917 61.319 1.00 0.00 H new ATOM 0 HA ILE A 102 -236.950 87.220 59.713 1.00 0.00 H new ATOM 0 HB ILE A 102 -239.538 86.323 60.927 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -240.438 87.176 58.741 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -238.811 87.637 58.281 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -240.513 88.590 60.649 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -239.244 88.554 61.896 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -238.891 89.226 60.286 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -239.448 85.520 57.245 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -238.099 85.277 58.381 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -239.751 84.808 58.848 1.00 0.00 H new ATOM 1615 N LEU A 103 -236.187 88.614 61.613 1.00 0.00 N ATOM 1616 CA LEU A 103 -235.705 89.443 62.709 1.00 0.00 C ATOM 1617 C LEU A 103 -236.820 90.387 63.147 1.00 0.00 C ATOM 1618 O LEU A 103 -237.510 90.970 62.305 1.00 0.00 O ATOM 1619 CB LEU A 103 -234.485 90.257 62.266 1.00 0.00 C ATOM 1620 CG LEU A 103 -233.621 90.805 63.404 1.00 0.00 C ATOM 1621 CD1 LEU A 103 -232.657 89.735 63.895 1.00 0.00 C ATOM 1622 CD2 LEU A 103 -232.868 92.049 62.959 1.00 0.00 C ATOM 0 H LEU A 103 -235.817 88.867 60.697 1.00 0.00 H new ATOM 0 HA LEU A 103 -235.412 88.802 63.541 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -233.862 89.631 61.627 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -234.828 91.093 61.656 1.00 0.00 H new ATOM 0 HG LEU A 103 -234.274 91.087 64.230 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -232.048 90.138 64.705 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -233.221 88.876 64.258 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -232.010 89.424 63.075 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -232.260 92.421 63.784 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -232.223 91.802 62.116 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -233.580 92.817 62.658 1.00 0.00 H new ATOM 1634 N LYS A 104 -237.018 90.523 64.449 1.00 0.00 N ATOM 1635 CA LYS A 104 -238.063 91.395 64.961 1.00 0.00 C ATOM 1636 C LYS A 104 -237.800 91.749 66.413 1.00 0.00 C ATOM 1637 O LYS A 104 -237.208 90.966 67.143 1.00 0.00 O ATOM 1638 CB LYS A 104 -239.424 90.715 64.840 1.00 0.00 C ATOM 1639 CG LYS A 104 -240.583 91.676 65.003 1.00 0.00 C ATOM 1640 CD LYS A 104 -241.911 90.968 64.846 1.00 0.00 C ATOM 1641 CE LYS A 104 -242.066 90.339 63.468 1.00 0.00 C ATOM 1642 NZ LYS A 104 -242.044 91.358 62.384 1.00 0.00 N ATOM 0 H LYS A 104 -236.473 90.044 65.166 1.00 0.00 H new ATOM 0 HA LYS A 104 -238.063 92.310 64.369 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -239.496 90.230 63.867 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -239.501 89.931 65.594 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -240.533 92.146 65.985 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -240.504 92.473 64.264 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -242.001 90.195 65.609 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -242.721 91.677 65.013 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -241.263 89.620 63.306 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -243.004 89.785 63.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -242.320 90.914 61.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -242.712 92.122 62.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -241.085 91.751 62.296 1.00 0.00 H new ATOM 1656 N LEU A 105 -238.223 92.929 66.837 1.00 0.00 N ATOM 1657 CA LEU A 105 -238.120 93.280 68.241 1.00 0.00 C ATOM 1658 C LEU A 105 -239.106 92.465 69.059 1.00 0.00 C ATOM 1659 O LEU A 105 -240.232 92.222 68.631 1.00 0.00 O ATOM 1660 CB LEU A 105 -238.367 94.766 68.492 1.00 0.00 C ATOM 1661 CG LEU A 105 -237.140 95.677 68.395 1.00 0.00 C ATOM 1662 CD1 LEU A 105 -236.538 95.641 67.009 1.00 0.00 C ATOM 1663 CD2 LEU A 105 -237.505 97.100 68.784 1.00 0.00 C ATOM 0 H LEU A 105 -238.634 93.647 66.240 1.00 0.00 H new ATOM 0 HA LEU A 105 -237.098 93.055 68.547 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -239.112 95.116 67.777 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -238.801 94.879 69.485 1.00 0.00 H new ATOM 0 HG LEU A 105 -236.389 95.306 69.093 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -235.669 96.298 66.973 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -236.233 94.622 66.771 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -237.278 95.977 66.282 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -236.622 97.735 68.710 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -238.278 97.474 68.113 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -237.877 97.113 69.809 1.00 0.00 H new ATOM 1675 N LYS A 106 -238.672 92.061 70.235 1.00 0.00 N ATOM 1676 CA LYS A 106 -239.491 91.260 71.135 1.00 0.00 C ATOM 1677 C LYS A 106 -240.593 92.098 71.754 1.00 0.00 C ATOM 1678 O LYS A 106 -241.679 91.608 72.054 1.00 0.00 O ATOM 1679 CB LYS A 106 -238.621 90.649 72.218 1.00 0.00 C ATOM 1680 CG LYS A 106 -237.575 91.600 72.730 1.00 0.00 C ATOM 1681 CD LYS A 106 -236.818 91.043 73.920 1.00 0.00 C ATOM 1682 CE LYS A 106 -236.059 89.774 73.569 1.00 0.00 C ATOM 1683 NZ LYS A 106 -235.339 89.214 74.744 1.00 0.00 N ATOM 0 H LYS A 106 -237.743 92.276 70.598 1.00 0.00 H new ATOM 0 HA LYS A 106 -239.958 90.461 70.559 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -239.252 90.329 73.047 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -238.133 89.757 71.826 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -236.871 91.827 71.929 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -238.050 92.540 73.013 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -236.119 91.794 74.288 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -237.518 90.835 74.730 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -236.755 89.030 73.182 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -235.345 89.987 72.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -234.834 88.349 74.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -234.656 89.914 75.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -236.023 88.987 75.494 1.00 0.00 H new