USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=22 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 6 SER OG : rot -29:sc= -1.25! USER MOD Set 1.2: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.0053 K(o=-0.0053,f=-0.56) USER MOD Single : A 12 HIS : no HE2:sc= -2.51! C(o=-2.5!,f=-2.5!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -53:sc= -0.108! USER MOD Single : A 30 THR OG1 : rot -100:sc= 0.653 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0343 F(o=-0.6,f=-0.034) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0128 F(o=-1.3,f=-0.013) USER MOD Single : A 37 GLN : amide:sc= -1.84! C(o=-1.8!,f=-6.8!) USER MOD Single : A 38 THR OG1 : rot 89:sc= 1.22 USER MOD Single : A 40 CYS SG : rot -18:sc= 0.00987 USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0167) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -24:sc= 0.244 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN :FLIP amide:sc= -0.0203 F(o=-1.3!,f=-0.02) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= -1.02 F(o=-3.4!,f=-1) USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 93 SER OG : rot -1:sc= 0.979 USER MOD Single : A 94 LYS NZ :NH3+ -146:sc= -2.61! (180deg=-4.21!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 171:sc= -0.174 (180deg=-0.305) USER MOD Single : A 104 LYS NZ :NH3+ -165:sc= -0.0705 (180deg=-0.335) USER MOD Single : A 106 LYS NZ :NH3+ -172:sc=-0.000975 (180deg=-0.0728) USER MOD ----------------------------------------------------------------- ATOM 70 N SER A 6 -221.712 75.554 59.488 1.00 0.00 N ATOM 71 CA SER A 6 -222.349 76.780 59.065 1.00 0.00 C ATOM 72 C SER A 6 -223.574 76.448 58.231 1.00 0.00 C ATOM 73 O SER A 6 -223.672 75.358 57.658 1.00 0.00 O ATOM 74 CB SER A 6 -221.365 77.650 58.275 1.00 0.00 C ATOM 75 OG SER A 6 -220.818 76.942 57.176 1.00 0.00 O ATOM 0 HA SER A 6 -222.663 77.347 59.941 1.00 0.00 H new ATOM 0 HB2 SER A 6 -221.874 78.545 57.917 1.00 0.00 H new ATOM 0 HB3 SER A 6 -220.562 77.982 58.932 1.00 0.00 H new ATOM 0 HG SER A 6 -220.788 75.985 57.386 1.00 0.00 H new ATOM 81 N PHE A 7 -224.518 77.362 58.196 1.00 0.00 N ATOM 82 CA PHE A 7 -225.745 77.166 57.462 1.00 0.00 C ATOM 83 C PHE A 7 -226.234 78.514 56.957 1.00 0.00 C ATOM 84 O PHE A 7 -225.922 79.552 57.539 1.00 0.00 O ATOM 85 CB PHE A 7 -226.793 76.487 58.361 1.00 0.00 C ATOM 86 CG PHE A 7 -227.587 77.412 59.229 1.00 0.00 C ATOM 87 CD1 PHE A 7 -227.062 77.897 60.406 1.00 0.00 C ATOM 88 CD2 PHE A 7 -228.872 77.779 58.869 1.00 0.00 C ATOM 89 CE1 PHE A 7 -227.798 78.735 61.212 1.00 0.00 C ATOM 90 CE2 PHE A 7 -229.616 78.615 59.673 1.00 0.00 C ATOM 91 CZ PHE A 7 -229.076 79.094 60.848 1.00 0.00 C ATOM 0 H PHE A 7 -224.456 78.260 58.675 1.00 0.00 H new ATOM 0 HA PHE A 7 -225.573 76.512 56.607 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -227.482 75.928 57.729 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -226.286 75.763 58.999 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -226.061 77.617 60.700 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -229.296 77.406 57.948 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -227.373 79.111 62.131 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -230.618 78.894 59.384 1.00 0.00 H new ATOM 0 HZ PHE A 7 -229.655 79.750 61.482 1.00 0.00 H new ATOM 101 N PHE A 8 -226.976 78.505 55.877 1.00 0.00 N ATOM 102 CA PHE A 8 -227.447 79.747 55.288 1.00 0.00 C ATOM 103 C PHE A 8 -228.805 80.129 55.863 1.00 0.00 C ATOM 104 O PHE A 8 -229.733 79.316 55.877 1.00 0.00 O ATOM 105 CB PHE A 8 -227.537 79.640 53.761 1.00 0.00 C ATOM 106 CG PHE A 8 -226.203 79.651 53.068 1.00 0.00 C ATOM 107 CD1 PHE A 8 -225.500 78.476 52.862 1.00 0.00 C ATOM 108 CD2 PHE A 8 -225.657 80.843 52.622 1.00 0.00 C ATOM 109 CE1 PHE A 8 -224.276 78.490 52.220 1.00 0.00 C ATOM 110 CE2 PHE A 8 -224.434 80.863 51.980 1.00 0.00 C ATOM 111 CZ PHE A 8 -223.741 79.686 51.781 1.00 0.00 C ATOM 0 H PHE A 8 -227.269 77.660 55.386 1.00 0.00 H new ATOM 0 HA PHE A 8 -226.724 80.525 55.534 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -228.062 78.721 53.502 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -228.138 80.468 53.384 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -225.912 77.539 53.206 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -226.193 81.767 52.778 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -223.738 77.567 52.062 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -224.020 81.799 51.634 1.00 0.00 H new ATOM 0 HZ PHE A 8 -222.783 79.700 51.283 1.00 0.00 H new ATOM 121 N VAL A 9 -228.914 81.360 56.340 1.00 0.00 N ATOM 122 CA VAL A 9 -230.159 81.849 56.908 1.00 0.00 C ATOM 123 C VAL A 9 -230.787 82.863 55.991 1.00 0.00 C ATOM 124 O VAL A 9 -230.149 83.840 55.611 1.00 0.00 O ATOM 125 CB VAL A 9 -229.976 82.562 58.262 1.00 0.00 C ATOM 126 CG1 VAL A 9 -231.290 82.610 59.026 1.00 0.00 C ATOM 127 CG2 VAL A 9 -228.894 81.921 59.091 1.00 0.00 C ATOM 0 H VAL A 9 -228.153 82.039 56.344 1.00 0.00 H new ATOM 0 HA VAL A 9 -230.778 80.962 57.043 1.00 0.00 H new ATOM 0 HB VAL A 9 -229.660 83.584 58.054 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -231.139 83.117 59.979 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -232.032 83.152 58.440 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -231.643 81.595 59.208 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -228.797 82.453 60.037 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -229.153 80.880 59.285 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -227.948 81.965 58.551 1.00 0.00 H new ATOM 137 N GLN A 10 -232.021 82.640 55.629 1.00 0.00 N ATOM 138 CA GLN A 10 -232.801 83.691 55.058 1.00 0.00 C ATOM 139 C GLN A 10 -233.574 84.345 56.190 1.00 0.00 C ATOM 140 O GLN A 10 -234.496 83.754 56.746 1.00 0.00 O ATOM 141 CB GLN A 10 -233.747 83.136 54.004 1.00 0.00 C ATOM 142 CG GLN A 10 -233.055 82.365 52.893 1.00 0.00 C ATOM 143 CD GLN A 10 -234.021 81.897 51.822 1.00 0.00 C ATOM 144 OE1 GLN A 10 -235.204 81.664 52.087 1.00 0.00 O ATOM 145 NE2 GLN A 10 -233.523 81.746 50.605 1.00 0.00 N ATOM 0 H GLN A 10 -232.501 81.745 55.720 1.00 0.00 H new ATOM 0 HA GLN A 10 -232.162 84.423 54.564 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -234.471 82.481 54.490 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -234.308 83.961 53.564 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -232.291 82.996 52.438 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -232.543 81.502 53.318 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -232.539 81.949 50.428 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -234.123 81.426 49.845 1.00 0.00 H new ATOM 154 N VAL A 11 -233.169 85.539 56.561 1.00 0.00 N ATOM 155 CA VAL A 11 -233.798 86.254 57.650 1.00 0.00 C ATOM 156 C VAL A 11 -234.279 87.617 57.186 1.00 0.00 C ATOM 157 O VAL A 11 -233.499 88.463 56.782 1.00 0.00 O ATOM 158 CB VAL A 11 -232.877 86.354 58.909 1.00 0.00 C ATOM 159 CG1 VAL A 11 -231.408 86.328 58.533 1.00 0.00 C ATOM 160 CG2 VAL A 11 -233.196 87.592 59.740 1.00 0.00 C ATOM 0 H VAL A 11 -232.398 86.040 56.119 1.00 0.00 H new ATOM 0 HA VAL A 11 -234.669 85.678 57.962 1.00 0.00 H new ATOM 0 HB VAL A 11 -233.082 85.475 59.520 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -230.800 86.400 59.435 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -231.181 85.396 58.016 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -231.185 87.170 57.878 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -232.536 87.628 60.607 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -233.048 88.485 59.133 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -234.232 87.548 60.075 1.00 0.00 H new ATOM 170 N HIS A 12 -235.589 87.800 57.219 1.00 0.00 N ATOM 171 CA HIS A 12 -236.207 89.021 56.713 1.00 0.00 C ATOM 172 C HIS A 12 -235.894 90.215 57.599 1.00 0.00 C ATOM 173 O HIS A 12 -235.812 90.092 58.824 1.00 0.00 O ATOM 174 CB HIS A 12 -237.734 88.884 56.655 1.00 0.00 C ATOM 175 CG HIS A 12 -238.290 88.162 55.472 1.00 0.00 C ATOM 176 ND1 HIS A 12 -238.691 88.808 54.327 1.00 0.00 N ATOM 177 CD2 HIS A 12 -238.572 86.853 55.283 1.00 0.00 C ATOM 178 CE1 HIS A 12 -239.199 87.932 53.484 1.00 0.00 C ATOM 179 NE2 HIS A 12 -239.140 86.732 54.038 1.00 0.00 N ATOM 0 H HIS A 12 -236.249 87.118 57.592 1.00 0.00 H new ATOM 0 HA HIS A 12 -235.798 89.178 55.715 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -238.066 88.369 57.557 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -238.168 89.883 56.681 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -238.608 89.810 54.156 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -238.385 86.051 55.982 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -239.597 88.156 52.505 1.00 0.00 H new ATOM 287 N LEU A 20 -235.344 90.240 52.233 1.00 0.00 N ATOM 288 CA LEU A 20 -235.002 88.958 52.815 1.00 0.00 C ATOM 289 C LEU A 20 -233.494 88.860 52.956 1.00 0.00 C ATOM 290 O LEU A 20 -232.794 88.532 51.999 1.00 0.00 O ATOM 291 CB LEU A 20 -235.533 87.805 51.956 1.00 0.00 C ATOM 292 CG LEU A 20 -235.159 86.404 52.452 1.00 0.00 C ATOM 293 CD1 LEU A 20 -235.641 86.197 53.879 1.00 0.00 C ATOM 294 CD2 LEU A 20 -235.732 85.340 51.530 1.00 0.00 C ATOM 0 HA LEU A 20 -235.467 88.881 53.798 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -236.619 87.879 51.907 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -235.159 87.926 50.940 1.00 0.00 H new ATOM 0 HG LEU A 20 -234.073 86.314 52.442 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -235.367 85.197 54.214 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -235.178 86.938 54.531 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -236.725 86.308 53.917 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -235.456 84.352 51.899 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -236.818 85.427 51.505 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -235.333 85.477 50.525 1.00 0.00 H new ATOM 306 N THR A 21 -232.999 89.172 54.141 1.00 0.00 N ATOM 307 CA THR A 21 -231.574 89.185 54.381 1.00 0.00 C ATOM 308 C THR A 21 -231.005 87.768 54.405 1.00 0.00 C ATOM 309 O THR A 21 -231.231 87.017 55.344 1.00 0.00 O ATOM 310 CB THR A 21 -231.250 89.888 55.714 1.00 0.00 C ATOM 311 OG1 THR A 21 -231.850 91.190 55.735 1.00 0.00 O ATOM 312 CG2 THR A 21 -229.748 90.013 55.915 1.00 0.00 C ATOM 0 H THR A 21 -233.567 89.420 54.951 1.00 0.00 H new ATOM 0 HA THR A 21 -231.112 89.736 53.562 1.00 0.00 H new ATOM 0 HB THR A 21 -231.656 89.284 56.526 1.00 0.00 H new ATOM 0 HG1 THR A 21 -231.643 91.632 56.585 1.00 0.00 H new ATOM 0 HG21 THR A 21 -229.548 90.513 56.863 1.00 0.00 H new ATOM 0 HG22 THR A 21 -229.299 89.020 55.926 1.00 0.00 H new ATOM 0 HG23 THR A 21 -229.319 90.596 55.100 1.00 0.00 H new ATOM 320 N VAL A 22 -230.249 87.409 53.384 1.00 0.00 N ATOM 321 CA VAL A 22 -229.673 86.077 53.310 1.00 0.00 C ATOM 322 C VAL A 22 -228.244 86.103 53.845 1.00 0.00 C ATOM 323 O VAL A 22 -227.352 86.692 53.232 1.00 0.00 O ATOM 324 CB VAL A 22 -229.667 85.536 51.863 1.00 0.00 C ATOM 325 CG1 VAL A 22 -229.107 84.121 51.819 1.00 0.00 C ATOM 326 CG2 VAL A 22 -231.066 85.575 51.268 1.00 0.00 C ATOM 0 H VAL A 22 -230.020 88.017 52.598 1.00 0.00 H new ATOM 0 HA VAL A 22 -230.290 85.415 53.917 1.00 0.00 H new ATOM 0 HB VAL A 22 -229.022 86.178 51.264 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -229.112 83.760 50.791 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -228.085 84.122 52.198 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -229.722 83.467 52.437 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -231.039 85.190 50.249 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -231.735 84.960 51.871 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -231.428 86.603 51.258 1.00 0.00 H new ATOM 336 N ILE A 23 -228.036 85.477 54.989 1.00 0.00 N ATOM 337 CA ILE A 23 -226.727 85.436 55.623 1.00 0.00 C ATOM 338 C ILE A 23 -226.236 84.004 55.749 1.00 0.00 C ATOM 339 O ILE A 23 -226.946 83.064 55.398 1.00 0.00 O ATOM 340 CB ILE A 23 -226.745 86.068 57.031 1.00 0.00 C ATOM 341 CG1 ILE A 23 -227.913 85.524 57.853 1.00 0.00 C ATOM 342 CG2 ILE A 23 -226.803 87.586 56.935 1.00 0.00 C ATOM 343 CD1 ILE A 23 -227.904 85.982 59.297 1.00 0.00 C ATOM 0 H ILE A 23 -228.765 84.984 55.505 1.00 0.00 H new ATOM 0 HA ILE A 23 -226.056 86.012 54.985 1.00 0.00 H new ATOM 0 HB ILE A 23 -225.821 85.797 57.542 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -228.849 85.834 57.388 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -227.889 84.435 57.826 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -226.815 88.014 57.937 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -225.929 87.950 56.396 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -227.707 87.883 56.403 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -228.761 85.557 59.819 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -226.985 85.649 59.779 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -227.959 87.070 59.334 1.00 0.00 H new ATOM 355 N LYS A 24 -225.024 83.841 56.246 1.00 0.00 N ATOM 356 CA LYS A 24 -224.498 82.523 56.528 1.00 0.00 C ATOM 357 C LYS A 24 -224.052 82.455 57.982 1.00 0.00 C ATOM 358 O LYS A 24 -222.962 82.904 58.337 1.00 0.00 O ATOM 359 CB LYS A 24 -223.333 82.187 55.600 1.00 0.00 C ATOM 360 CG LYS A 24 -223.086 80.697 55.472 1.00 0.00 C ATOM 361 CD LYS A 24 -221.667 80.416 55.005 1.00 0.00 C ATOM 362 CE LYS A 24 -221.396 78.925 54.887 1.00 0.00 C ATOM 363 NZ LYS A 24 -219.986 78.648 54.496 1.00 0.00 N ATOM 0 H LYS A 24 -224.386 84.607 56.462 1.00 0.00 H new ATOM 0 HA LYS A 24 -225.285 81.789 56.355 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -223.532 82.603 54.612 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -222.429 82.669 55.973 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -223.259 80.213 56.433 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -223.796 80.267 54.766 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -221.501 80.893 54.039 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -220.959 80.860 55.705 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -221.611 78.440 55.839 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -222.070 78.490 54.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -219.841 77.621 54.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -219.788 79.089 53.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -219.343 79.040 55.213 1.00 0.00 H new ATOM 377 N ALA A 25 -224.915 81.915 58.819 1.00 0.00 N ATOM 378 CA ALA A 25 -224.677 81.839 60.249 1.00 0.00 C ATOM 379 C ALA A 25 -224.167 80.463 60.620 1.00 0.00 C ATOM 380 O ALA A 25 -224.145 79.559 59.793 1.00 0.00 O ATOM 381 CB ALA A 25 -225.972 82.169 60.985 1.00 0.00 C ATOM 0 H ALA A 25 -225.806 81.514 58.526 1.00 0.00 H new ATOM 0 HA ALA A 25 -223.914 82.562 60.540 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -225.803 82.114 62.060 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -226.295 83.175 60.719 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -226.744 81.453 60.702 1.00 0.00 H new ATOM 387 N PRO A 26 -223.728 80.289 61.861 1.00 0.00 N ATOM 388 CA PRO A 26 -223.298 79.002 62.350 1.00 0.00 C ATOM 389 C PRO A 26 -224.494 78.126 62.628 1.00 0.00 C ATOM 390 O PRO A 26 -225.511 78.613 63.094 1.00 0.00 O ATOM 391 CB PRO A 26 -222.508 79.323 63.618 1.00 0.00 C ATOM 392 CG PRO A 26 -222.638 80.797 63.852 1.00 0.00 C ATOM 393 CD PRO A 26 -223.663 81.320 62.894 1.00 0.00 C ATOM 0 HA PRO A 26 -222.689 78.449 61.634 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -222.897 78.762 64.467 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -221.461 79.041 63.502 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -222.939 80.996 64.881 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -221.681 81.295 63.698 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -224.629 81.463 63.379 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -223.369 82.284 62.480 1.00 0.00 H new ATOM 401 N ARG A 27 -224.397 76.846 62.311 1.00 0.00 N ATOM 402 CA ARG A 27 -225.524 75.942 62.498 1.00 0.00 C ATOM 403 C ARG A 27 -225.992 76.038 63.949 1.00 0.00 C ATOM 404 O ARG A 27 -227.174 76.149 64.240 1.00 0.00 O ATOM 405 CB ARG A 27 -225.115 74.513 62.154 1.00 0.00 C ATOM 406 CG ARG A 27 -224.671 74.374 60.712 1.00 0.00 C ATOM 407 CD ARG A 27 -224.263 72.952 60.371 1.00 0.00 C ATOM 408 NE ARG A 27 -223.758 72.850 59.000 1.00 0.00 N ATOM 409 CZ ARG A 27 -222.885 71.932 58.590 1.00 0.00 C ATOM 410 NH1 ARG A 27 -222.414 71.025 59.440 1.00 0.00 N ATOM 411 NH2 ARG A 27 -222.483 71.918 57.324 1.00 0.00 N ATOM 0 H ARG A 27 -223.559 76.410 61.926 1.00 0.00 H new ATOM 0 HA ARG A 27 -226.342 76.224 61.835 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -224.305 74.200 62.813 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -225.954 73.842 62.340 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -225.481 74.685 60.053 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -223.833 75.045 60.526 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -223.495 72.616 61.068 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -225.118 72.288 60.495 1.00 0.00 H new ATOM 0 HE ARG A 27 -224.097 73.526 58.315 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -222.721 71.030 60.413 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -221.745 70.324 59.120 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -222.843 72.610 56.667 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -221.814 71.215 57.009 1.00 0.00 H new ATOM 425 N VAL A 28 -225.020 76.067 64.842 1.00 0.00 N ATOM 426 CA VAL A 28 -225.263 76.184 66.270 1.00 0.00 C ATOM 427 C VAL A 28 -225.819 77.557 66.672 1.00 0.00 C ATOM 428 O VAL A 28 -226.227 77.734 67.821 1.00 0.00 O ATOM 429 CB VAL A 28 -223.973 75.921 67.075 1.00 0.00 C ATOM 430 CG1 VAL A 28 -223.378 74.573 66.703 1.00 0.00 C ATOM 431 CG2 VAL A 28 -222.955 77.030 66.851 1.00 0.00 C ATOM 0 H VAL A 28 -224.032 76.010 64.596 1.00 0.00 H new ATOM 0 HA VAL A 28 -226.014 75.430 66.503 1.00 0.00 H new ATOM 0 HB VAL A 28 -224.233 75.907 68.133 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -222.469 74.405 67.280 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -224.098 73.785 66.922 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -223.139 74.562 65.639 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -222.055 76.820 67.430 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -222.701 77.083 65.792 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -223.378 77.982 67.171 1.00 0.00 H new ATOM 441 N SER A 29 -225.818 78.534 65.756 1.00 0.00 N ATOM 442 CA SER A 29 -226.379 79.848 66.078 1.00 0.00 C ATOM 443 C SER A 29 -227.828 79.722 66.522 1.00 0.00 C ATOM 444 O SER A 29 -228.644 79.068 65.872 1.00 0.00 O ATOM 445 CB SER A 29 -226.286 80.823 64.900 1.00 0.00 C ATOM 446 OG SER A 29 -227.130 80.441 63.829 1.00 0.00 O ATOM 0 H SER A 29 -225.445 78.443 64.811 1.00 0.00 H new ATOM 0 HA SER A 29 -225.782 80.251 66.896 1.00 0.00 H new ATOM 0 HB2 SER A 29 -226.556 81.824 65.236 1.00 0.00 H new ATOM 0 HB3 SER A 29 -225.255 80.872 64.550 1.00 0.00 H new ATOM 0 HG SER A 29 -226.946 79.510 63.583 1.00 0.00 H new ATOM 452 N THR A 30 -228.127 80.314 67.656 1.00 0.00 N ATOM 453 CA THR A 30 -229.493 80.431 68.101 1.00 0.00 C ATOM 454 C THR A 30 -229.964 81.844 67.829 1.00 0.00 C ATOM 455 O THR A 30 -229.197 82.646 67.292 1.00 0.00 O ATOM 456 CB THR A 30 -229.643 80.040 69.587 1.00 0.00 C ATOM 457 OG1 THR A 30 -230.957 80.351 70.080 1.00 0.00 O ATOM 458 CG2 THR A 30 -228.598 80.723 70.452 1.00 0.00 C ATOM 0 H THR A 30 -227.438 80.723 68.288 1.00 0.00 H new ATOM 0 HA THR A 30 -230.122 79.733 67.548 1.00 0.00 H new ATOM 0 HB THR A 30 -229.492 78.962 69.646 1.00 0.00 H new ATOM 0 HG1 THR A 30 -230.927 81.191 70.584 1.00 0.00 H new ATOM 0 HG21 THR A 30 -228.734 80.424 71.491 1.00 0.00 H new ATOM 0 HG22 THR A 30 -227.602 80.431 70.118 1.00 0.00 H new ATOM 0 HG23 THR A 30 -228.706 81.804 70.368 1.00 0.00 H new ATOM 466 N ALA A 31 -231.214 82.141 68.159 1.00 0.00 N ATOM 467 CA ALA A 31 -231.801 83.430 67.840 1.00 0.00 C ATOM 468 C ALA A 31 -230.883 84.558 68.245 1.00 0.00 C ATOM 469 O ALA A 31 -230.558 85.392 67.427 1.00 0.00 O ATOM 470 CB ALA A 31 -233.168 83.573 68.493 1.00 0.00 C ATOM 0 H ALA A 31 -231.841 81.502 68.649 1.00 0.00 H new ATOM 0 HA ALA A 31 -231.935 83.485 66.760 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -233.591 84.546 68.242 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -233.829 82.785 68.131 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -233.065 83.491 69.575 1.00 0.00 H new ATOM 476 N GLN A 32 -230.404 84.538 69.474 1.00 0.00 N ATOM 477 CA GLN A 32 -229.518 85.587 69.958 1.00 0.00 C ATOM 478 C GLN A 32 -228.267 85.746 69.072 1.00 0.00 C ATOM 479 O GLN A 32 -227.805 86.866 68.839 1.00 0.00 O ATOM 480 CB GLN A 32 -229.116 85.290 71.404 1.00 0.00 C ATOM 481 CG GLN A 32 -229.197 86.501 72.316 1.00 0.00 C ATOM 482 CD GLN A 32 -228.154 87.552 72.002 1.00 0.00 C ATOM 483 OE1 GLN A 32 -228.444 88.394 71.028 1.00 0.00 O flip ATOM 484 NE2 GLN A 32 -227.078 87.580 72.598 1.00 0.00 N flip ATOM 0 H GLN A 32 -230.611 83.809 70.157 1.00 0.00 H new ATOM 0 HA GLN A 32 -230.060 86.532 69.914 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -229.761 84.505 71.798 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -228.097 84.903 71.417 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -230.189 86.946 72.232 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -229.079 86.178 73.350 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -226.892 86.912 73.346 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -226.372 88.272 72.344 1.00 0.00 H new ATOM 493 N ASP A 33 -227.750 84.645 68.534 1.00 0.00 N ATOM 494 CA ASP A 33 -226.515 84.706 67.752 1.00 0.00 C ATOM 495 C ASP A 33 -226.788 85.327 66.401 1.00 0.00 C ATOM 496 O ASP A 33 -226.141 86.292 65.983 1.00 0.00 O ATOM 497 CB ASP A 33 -225.936 83.308 67.520 1.00 0.00 C ATOM 498 CG ASP A 33 -225.120 82.782 68.680 1.00 0.00 C ATOM 499 OD1 ASP A 33 -223.963 83.226 68.852 1.00 0.00 O ATOM 500 OD2 ASP A 33 -225.619 81.895 69.401 1.00 0.00 O ATOM 0 H ASP A 33 -228.157 83.714 68.621 1.00 0.00 H new ATOM 0 HA ASP A 33 -225.801 85.307 68.316 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -226.754 82.615 67.320 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -225.310 83.328 66.628 1.00 0.00 H new ATOM 505 N VAL A 34 -227.769 84.752 65.740 1.00 0.00 N ATOM 506 CA VAL A 34 -228.221 85.199 64.442 1.00 0.00 C ATOM 507 C VAL A 34 -228.779 86.620 64.546 1.00 0.00 C ATOM 508 O VAL A 34 -228.733 87.386 63.588 1.00 0.00 O ATOM 509 CB VAL A 34 -229.248 84.203 63.884 1.00 0.00 C ATOM 510 CG1 VAL A 34 -230.593 84.348 64.553 1.00 0.00 C ATOM 511 CG2 VAL A 34 -229.333 84.325 62.386 1.00 0.00 C ATOM 0 H VAL A 34 -228.283 83.947 66.097 1.00 0.00 H new ATOM 0 HA VAL A 34 -227.385 85.233 63.743 1.00 0.00 H new ATOM 0 HB VAL A 34 -228.907 83.194 64.114 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -231.290 83.625 64.129 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -230.489 84.167 65.623 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -230.973 85.357 64.391 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -230.065 83.613 62.004 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -229.638 85.337 62.120 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -228.358 84.113 61.948 1.00 0.00 H new ATOM 521 N ILE A 35 -229.281 86.966 65.732 1.00 0.00 N ATOM 522 CA ILE A 35 -229.721 88.321 66.029 1.00 0.00 C ATOM 523 C ILE A 35 -228.584 89.312 65.772 1.00 0.00 C ATOM 524 O ILE A 35 -228.704 90.196 64.928 1.00 0.00 O ATOM 525 CB ILE A 35 -230.181 88.439 67.507 1.00 0.00 C ATOM 526 CG1 ILE A 35 -231.603 87.914 67.695 1.00 0.00 C ATOM 527 CG2 ILE A 35 -230.080 89.867 68.020 1.00 0.00 C ATOM 528 CD1 ILE A 35 -232.591 88.455 66.706 1.00 0.00 C ATOM 0 H ILE A 35 -229.392 86.314 66.509 1.00 0.00 H new ATOM 0 HA ILE A 35 -230.563 88.554 65.377 1.00 0.00 H new ATOM 0 HB ILE A 35 -229.503 87.819 68.094 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -231.590 86.827 67.622 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -231.940 88.162 68.702 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -230.411 89.905 69.058 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -229.045 90.204 67.957 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -230.711 90.517 67.414 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -233.576 88.034 66.908 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -232.636 89.541 66.793 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -232.281 88.185 65.697 1.00 0.00 H new ATOM 540 N GLN A 36 -227.457 89.118 66.454 1.00 0.00 N ATOM 541 CA GLN A 36 -226.317 90.027 66.325 1.00 0.00 C ATOM 542 C GLN A 36 -225.671 89.903 64.948 1.00 0.00 C ATOM 543 O GLN A 36 -225.167 90.883 64.409 1.00 0.00 O ATOM 544 CB GLN A 36 -225.273 89.740 67.416 1.00 0.00 C ATOM 545 CG GLN A 36 -223.960 90.498 67.235 1.00 0.00 C ATOM 546 CD GLN A 36 -224.089 91.992 67.481 1.00 0.00 C ATOM 547 OE1 GLN A 36 -224.931 92.365 68.426 1.00 0.00 O flip ATOM 548 NE2 GLN A 36 -223.412 92.801 66.845 1.00 0.00 N flip ATOM 0 H GLN A 36 -227.308 88.343 67.100 1.00 0.00 H new ATOM 0 HA GLN A 36 -226.688 91.045 66.445 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -225.697 89.996 68.387 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -225.064 88.670 67.432 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -223.215 90.088 67.917 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -223.591 90.334 66.223 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -222.772 92.473 66.122 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -223.491 93.799 67.042 1.00 0.00 H new ATOM 557 N GLN A 37 -225.675 88.705 64.378 1.00 0.00 N ATOM 558 CA GLN A 37 -225.102 88.519 63.061 1.00 0.00 C ATOM 559 C GLN A 37 -225.906 89.286 62.016 1.00 0.00 C ATOM 560 O GLN A 37 -225.343 89.845 61.075 1.00 0.00 O ATOM 561 CB GLN A 37 -225.032 87.040 62.702 1.00 0.00 C ATOM 562 CG GLN A 37 -223.874 86.734 61.780 1.00 0.00 C ATOM 563 CD GLN A 37 -223.741 85.262 61.463 1.00 0.00 C ATOM 564 OE1 GLN A 37 -224.097 84.407 62.269 1.00 0.00 O ATOM 565 NE2 GLN A 37 -223.211 84.961 60.288 1.00 0.00 N ATOM 0 H GLN A 37 -226.063 87.863 64.803 1.00 0.00 H new ATOM 0 HA GLN A 37 -224.086 88.913 63.074 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -224.935 86.450 63.613 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -225.964 86.738 62.225 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -224.001 87.290 60.851 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -222.950 87.086 62.238 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -222.930 85.705 59.650 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -223.084 83.985 60.021 1.00 0.00 H new ATOM 574 N THR A 38 -227.220 89.325 62.192 1.00 0.00 N ATOM 575 CA THR A 38 -228.072 90.126 61.327 1.00 0.00 C ATOM 576 C THR A 38 -227.845 91.610 61.611 1.00 0.00 C ATOM 577 O THR A 38 -227.868 92.435 60.702 1.00 0.00 O ATOM 578 CB THR A 38 -229.561 89.767 61.506 1.00 0.00 C ATOM 579 OG1 THR A 38 -229.736 88.354 61.354 1.00 0.00 O ATOM 580 CG2 THR A 38 -230.423 90.491 60.483 1.00 0.00 C ATOM 0 H THR A 38 -227.716 88.814 62.922 1.00 0.00 H new ATOM 0 HA THR A 38 -227.805 89.909 60.293 1.00 0.00 H new ATOM 0 HB THR A 38 -229.870 90.077 62.504 1.00 0.00 H new ATOM 0 HG1 THR A 38 -229.615 87.914 62.221 1.00 0.00 H new ATOM 0 HG21 THR A 38 -231.468 90.220 60.631 1.00 0.00 H new ATOM 0 HG22 THR A 38 -230.306 91.568 60.606 1.00 0.00 H new ATOM 0 HG23 THR A 38 -230.113 90.204 59.478 1.00 0.00 H new ATOM 588 N LEU A 39 -227.604 91.934 62.882 1.00 0.00 N ATOM 589 CA LEU A 39 -227.186 93.276 63.279 1.00 0.00 C ATOM 590 C LEU A 39 -225.943 93.703 62.494 1.00 0.00 C ATOM 591 O LEU A 39 -225.879 94.813 61.967 1.00 0.00 O ATOM 592 CB LEU A 39 -226.884 93.311 64.784 1.00 0.00 C ATOM 593 CG LEU A 39 -228.010 93.819 65.686 1.00 0.00 C ATOM 594 CD1 LEU A 39 -229.280 93.009 65.528 1.00 0.00 C ATOM 595 CD2 LEU A 39 -227.569 93.820 67.137 1.00 0.00 C ATOM 0 H LEU A 39 -227.693 91.278 63.658 1.00 0.00 H new ATOM 0 HA LEU A 39 -227.998 93.969 63.059 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -226.617 92.304 65.104 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -226.007 93.939 64.943 1.00 0.00 H new ATOM 0 HG LEU A 39 -228.232 94.840 65.376 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -230.050 93.407 66.188 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -229.622 93.067 64.495 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -229.083 91.969 65.787 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -228.383 94.184 67.764 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -227.305 92.806 67.438 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -226.702 94.470 67.253 1.00 0.00 H new ATOM 607 N CYS A 40 -224.970 92.803 62.411 1.00 0.00 N ATOM 608 CA CYS A 40 -223.727 93.049 61.688 1.00 0.00 C ATOM 609 C CYS A 40 -223.987 93.240 60.192 1.00 0.00 C ATOM 610 O CYS A 40 -223.281 93.984 59.511 1.00 0.00 O ATOM 611 CB CYS A 40 -222.765 91.879 61.912 1.00 0.00 C ATOM 612 SG CYS A 40 -221.177 92.042 61.065 1.00 0.00 S ATOM 0 H CYS A 40 -225.020 91.881 62.844 1.00 0.00 H new ATOM 0 HA CYS A 40 -223.280 93.967 62.069 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -222.583 91.774 62.982 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -223.247 90.960 61.579 1.00 0.00 H new ATOM 0 HG CYS A 40 -221.280 92.924 60.115 1.00 0.00 H new ATOM 618 N LYS A 41 -225.007 92.571 59.691 1.00 0.00 N ATOM 619 CA LYS A 41 -225.366 92.663 58.285 1.00 0.00 C ATOM 620 C LYS A 41 -226.163 93.939 58.011 1.00 0.00 C ATOM 621 O LYS A 41 -226.181 94.444 56.892 1.00 0.00 O ATOM 622 CB LYS A 41 -226.181 91.427 57.891 1.00 0.00 C ATOM 623 CG LYS A 41 -226.621 91.386 56.435 1.00 0.00 C ATOM 624 CD LYS A 41 -225.442 91.319 55.479 1.00 0.00 C ATOM 625 CE LYS A 41 -225.894 91.001 54.060 1.00 0.00 C ATOM 626 NZ LYS A 41 -226.847 92.014 53.526 1.00 0.00 N ATOM 0 H LYS A 41 -225.606 91.954 60.239 1.00 0.00 H new ATOM 0 HA LYS A 41 -224.456 92.703 57.686 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -225.588 90.537 58.101 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -227.067 91.377 58.524 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -227.264 90.521 56.276 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -227.217 92.271 56.213 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -224.910 92.270 55.488 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -224.740 90.557 55.818 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -225.022 90.947 53.408 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -226.366 90.018 54.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -227.085 91.781 52.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -227.713 92.013 54.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -226.408 92.956 53.562 1.00 0.00 H new ATOM 640 N ALA A 42 -226.796 94.468 59.049 1.00 0.00 N ATOM 641 CA ALA A 42 -227.714 95.584 58.892 1.00 0.00 C ATOM 642 C ALA A 42 -227.095 96.923 59.294 1.00 0.00 C ATOM 643 O ALA A 42 -227.601 97.978 58.897 1.00 0.00 O ATOM 644 CB ALA A 42 -228.977 95.319 59.690 1.00 0.00 C ATOM 0 H ALA A 42 -226.689 94.141 60.009 1.00 0.00 H new ATOM 0 HA ALA A 42 -227.955 95.663 57.832 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -229.665 96.156 59.572 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -229.451 94.406 59.329 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -228.724 95.204 60.744 1.00 0.00 H new ATOM 852 N ASP A 56 -232.475 93.514 72.547 1.00 0.00 N ATOM 853 CA ASP A 56 -233.847 93.967 72.321 1.00 0.00 C ATOM 854 C ASP A 56 -234.502 93.206 71.185 1.00 0.00 C ATOM 855 O ASP A 56 -235.680 93.407 70.889 1.00 0.00 O ATOM 856 CB ASP A 56 -233.868 95.468 71.997 1.00 0.00 C ATOM 857 CG ASP A 56 -233.360 96.339 73.130 1.00 0.00 C ATOM 858 OD1 ASP A 56 -232.808 95.800 74.113 1.00 0.00 O ATOM 859 OD2 ASP A 56 -233.498 97.581 73.037 1.00 0.00 O ATOM 0 HA ASP A 56 -234.407 93.779 73.237 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -233.261 95.649 71.110 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -234.888 95.764 71.751 1.00 0.00 H new ATOM 864 N TYR A 57 -233.753 92.320 70.563 1.00 0.00 N ATOM 865 CA TYR A 57 -234.248 91.607 69.404 1.00 0.00 C ATOM 866 C TYR A 57 -234.637 90.182 69.754 1.00 0.00 C ATOM 867 O TYR A 57 -234.113 89.585 70.695 1.00 0.00 O ATOM 868 CB TYR A 57 -233.194 91.564 68.294 1.00 0.00 C ATOM 869 CG TYR A 57 -232.958 92.874 67.588 1.00 0.00 C ATOM 870 CD1 TYR A 57 -232.224 93.888 68.181 1.00 0.00 C ATOM 871 CD2 TYR A 57 -233.461 93.082 66.313 1.00 0.00 C ATOM 872 CE1 TYR A 57 -231.998 95.078 67.522 1.00 0.00 C ATOM 873 CE2 TYR A 57 -233.245 94.268 65.648 1.00 0.00 C ATOM 874 CZ TYR A 57 -232.513 95.264 66.255 1.00 0.00 C ATOM 875 OH TYR A 57 -232.289 96.448 65.594 1.00 0.00 O ATOM 0 H TYR A 57 -232.802 92.077 70.839 1.00 0.00 H new ATOM 0 HA TYR A 57 -235.129 92.147 69.056 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -232.251 91.224 68.722 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -233.495 90.820 67.556 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -231.823 93.745 69.174 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -234.032 92.301 65.833 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -231.422 95.860 67.994 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -233.647 94.416 64.657 1.00 0.00 H new ATOM 0 HH TYR A 57 -232.718 96.417 64.713 1.00 0.00 H new ATOM 885 N VAL A 58 -235.566 89.661 68.984 1.00 0.00 N ATOM 886 CA VAL A 58 -235.905 88.252 68.995 1.00 0.00 C ATOM 887 C VAL A 58 -236.047 87.796 67.558 1.00 0.00 C ATOM 888 O VAL A 58 -236.206 88.617 66.653 1.00 0.00 O ATOM 889 CB VAL A 58 -237.216 87.930 69.748 1.00 0.00 C ATOM 890 CG1 VAL A 58 -236.958 87.676 71.222 1.00 0.00 C ATOM 891 CG2 VAL A 58 -238.219 89.060 69.613 1.00 0.00 C ATOM 0 H VAL A 58 -236.116 90.210 68.323 1.00 0.00 H new ATOM 0 HA VAL A 58 -235.107 87.731 69.524 1.00 0.00 H new ATOM 0 HB VAL A 58 -237.626 87.028 69.294 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -237.900 87.453 71.723 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -236.279 86.831 71.332 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -236.510 88.562 71.671 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -239.130 88.804 70.153 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -237.795 89.974 70.029 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -238.453 89.215 68.560 1.00 0.00 H new ATOM 901 N LEU A 59 -235.989 86.507 67.337 1.00 0.00 N ATOM 902 CA LEU A 59 -236.086 85.989 65.992 1.00 0.00 C ATOM 903 C LEU A 59 -237.351 85.154 65.846 1.00 0.00 C ATOM 904 O LEU A 59 -237.830 84.564 66.811 1.00 0.00 O ATOM 905 CB LEU A 59 -234.837 85.176 65.656 1.00 0.00 C ATOM 906 CG LEU A 59 -234.771 84.635 64.230 1.00 0.00 C ATOM 907 CD1 LEU A 59 -234.423 85.746 63.253 1.00 0.00 C ATOM 908 CD2 LEU A 59 -233.764 83.507 64.140 1.00 0.00 C ATOM 0 H LEU A 59 -235.876 85.800 68.064 1.00 0.00 H new ATOM 0 HA LEU A 59 -236.148 86.817 65.286 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -233.960 85.800 65.831 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -234.774 84.336 66.348 1.00 0.00 H new ATOM 0 HG LEU A 59 -235.752 84.242 63.963 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -234.380 85.341 62.242 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -235.185 86.524 63.301 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -233.454 86.170 63.515 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -233.728 83.132 63.117 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -232.779 83.875 64.426 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -234.059 82.701 64.812 1.00 0.00 H new ATOM 920 N LEU A 60 -237.913 85.160 64.654 1.00 0.00 N ATOM 921 CA LEU A 60 -239.122 84.408 64.353 1.00 0.00 C ATOM 922 C LEU A 60 -238.762 83.201 63.500 1.00 0.00 C ATOM 923 O LEU A 60 -237.995 83.329 62.554 1.00 0.00 O ATOM 924 CB LEU A 60 -240.125 85.279 63.568 1.00 0.00 C ATOM 925 CG LEU A 60 -240.851 86.418 64.325 1.00 0.00 C ATOM 926 CD1 LEU A 60 -241.965 85.870 65.184 1.00 0.00 C ATOM 927 CD2 LEU A 60 -239.898 87.255 65.169 1.00 0.00 C ATOM 0 H LEU A 60 -237.545 85.687 63.862 1.00 0.00 H new ATOM 0 HA LEU A 60 -239.577 84.095 65.293 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -239.593 85.724 62.727 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -240.885 84.618 63.151 1.00 0.00 H new ATOM 0 HG LEU A 60 -241.277 87.075 63.567 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -242.459 86.690 65.705 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -242.688 85.352 64.555 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -241.553 85.173 65.913 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -240.457 88.040 65.679 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -239.411 86.618 65.907 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -239.143 87.707 64.525 1.00 0.00 H new ATOM 939 N GLU A 61 -239.294 82.037 63.824 1.00 0.00 N ATOM 940 CA GLU A 61 -239.164 80.904 62.933 1.00 0.00 C ATOM 941 C GLU A 61 -240.454 80.769 62.121 1.00 0.00 C ATOM 942 O GLU A 61 -241.419 80.124 62.522 1.00 0.00 O ATOM 943 CB GLU A 61 -238.801 79.602 63.688 1.00 0.00 C ATOM 944 CG GLU A 61 -239.939 78.961 64.472 1.00 0.00 C ATOM 945 CD GLU A 61 -239.531 77.694 65.198 1.00 0.00 C ATOM 946 OE1 GLU A 61 -239.313 76.666 64.530 1.00 0.00 O ATOM 947 OE2 GLU A 61 -239.445 77.713 66.442 1.00 0.00 O ATOM 0 H GLU A 61 -239.812 81.854 64.684 1.00 0.00 H new ATOM 0 HA GLU A 61 -238.332 81.078 62.251 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -238.426 78.876 62.966 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -237.984 79.818 64.377 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -240.321 79.680 65.197 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -240.757 78.732 63.789 1.00 0.00 H new ATOM 954 N GLU A 62 -240.506 81.469 61.011 1.00 0.00 N ATOM 955 CA GLU A 62 -241.596 81.345 60.119 1.00 0.00 C ATOM 956 C GLU A 62 -241.339 80.210 59.152 1.00 0.00 C ATOM 957 O GLU A 62 -240.301 80.152 58.508 1.00 0.00 O ATOM 958 CB GLU A 62 -241.730 82.677 59.411 1.00 0.00 C ATOM 959 CG GLU A 62 -242.748 82.724 58.316 1.00 0.00 C ATOM 960 CD GLU A 62 -242.148 82.540 56.929 1.00 0.00 C ATOM 961 OE1 GLU A 62 -241.710 83.546 56.326 1.00 0.00 O ATOM 962 OE2 GLU A 62 -242.112 81.396 56.439 1.00 0.00 O ATOM 0 H GLU A 62 -239.789 82.133 60.717 1.00 0.00 H new ATOM 0 HA GLU A 62 -242.525 81.108 60.638 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -241.981 83.438 60.150 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -240.760 82.946 58.993 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -243.493 81.947 58.488 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -243.270 83.680 58.355 1.00 0.00 H new ATOM 969 N VAL A 63 -242.263 79.279 59.107 1.00 0.00 N ATOM 970 CA VAL A 63 -242.204 78.207 58.137 1.00 0.00 C ATOM 971 C VAL A 63 -243.366 78.318 57.147 1.00 0.00 C ATOM 972 O VAL A 63 -244.532 78.151 57.520 1.00 0.00 O ATOM 973 CB VAL A 63 -242.194 76.819 58.825 1.00 0.00 C ATOM 974 CG1 VAL A 63 -243.087 76.821 60.051 1.00 0.00 C ATOM 975 CG2 VAL A 63 -242.607 75.735 57.850 1.00 0.00 C ATOM 0 H VAL A 63 -243.068 79.241 59.732 1.00 0.00 H new ATOM 0 HA VAL A 63 -241.269 78.304 57.586 1.00 0.00 H new ATOM 0 HB VAL A 63 -241.176 76.606 59.152 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -243.065 75.837 60.519 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -242.730 77.568 60.760 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -244.109 77.060 59.756 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -242.593 74.768 58.353 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -243.613 75.939 57.484 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -241.912 75.717 57.010 1.00 0.00 H new ATOM 985 N VAL A 64 -243.040 78.643 55.897 1.00 0.00 N ATOM 986 CA VAL A 64 -244.027 78.672 54.824 1.00 0.00 C ATOM 987 C VAL A 64 -244.664 77.310 54.669 1.00 0.00 C ATOM 988 O VAL A 64 -244.048 76.366 54.169 1.00 0.00 O ATOM 989 CB VAL A 64 -243.418 79.113 53.470 1.00 0.00 C ATOM 990 CG1 VAL A 64 -244.452 79.025 52.357 1.00 0.00 C ATOM 991 CG2 VAL A 64 -242.867 80.526 53.563 1.00 0.00 C ATOM 0 H VAL A 64 -242.095 78.891 55.604 1.00 0.00 H new ATOM 0 HA VAL A 64 -244.779 79.410 55.103 1.00 0.00 H new ATOM 0 HB VAL A 64 -242.598 78.435 53.234 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -244.001 79.340 51.416 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -244.802 77.997 52.266 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -245.295 79.676 52.591 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -242.444 80.816 52.601 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -243.671 81.213 53.828 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -242.091 80.564 54.327 1.00 0.00 H new ATOM 1199 N SER A 77 -248.070 80.825 55.756 1.00 0.00 N ATOM 1200 CA SER A 77 -246.814 80.980 56.470 1.00 0.00 C ATOM 1201 C SER A 77 -247.052 80.858 57.968 1.00 0.00 C ATOM 1202 O SER A 77 -247.698 81.712 58.581 1.00 0.00 O ATOM 1203 CB SER A 77 -246.177 82.330 56.123 1.00 0.00 C ATOM 1204 OG SER A 77 -247.138 83.375 56.167 1.00 0.00 O ATOM 0 HA SER A 77 -246.126 80.191 56.167 1.00 0.00 H new ATOM 0 HB2 SER A 77 -245.369 82.545 56.822 1.00 0.00 H new ATOM 0 HB3 SER A 77 -245.733 82.281 55.129 1.00 0.00 H new ATOM 0 HG SER A 77 -248.034 83.001 56.035 1.00 0.00 H new ATOM 1210 N SER A 78 -246.562 79.777 58.550 1.00 0.00 N ATOM 1211 CA SER A 78 -246.725 79.554 59.971 1.00 0.00 C ATOM 1212 C SER A 78 -245.575 80.226 60.703 1.00 0.00 C ATOM 1213 O SER A 78 -244.467 79.696 60.763 1.00 0.00 O ATOM 1214 CB SER A 78 -246.771 78.050 60.277 1.00 0.00 C ATOM 1215 OG SER A 78 -247.182 77.806 61.612 1.00 0.00 O ATOM 0 H SER A 78 -246.050 79.044 58.060 1.00 0.00 H new ATOM 0 HA SER A 78 -247.668 79.985 60.309 1.00 0.00 H new ATOM 0 HB2 SER A 78 -247.457 77.558 59.588 1.00 0.00 H new ATOM 0 HB3 SER A 78 -245.786 77.613 60.112 1.00 0.00 H new ATOM 0 HG SER A 78 -247.203 76.840 61.776 1.00 0.00 H new ATOM 1221 N GLN A 79 -245.832 81.413 61.236 1.00 0.00 N ATOM 1222 CA GLN A 79 -244.786 82.190 61.872 1.00 0.00 C ATOM 1223 C GLN A 79 -244.788 81.933 63.371 1.00 0.00 C ATOM 1224 O GLN A 79 -245.835 81.981 64.017 1.00 0.00 O ATOM 1225 CB GLN A 79 -244.988 83.682 61.593 1.00 0.00 C ATOM 1226 CG GLN A 79 -243.779 84.537 61.944 1.00 0.00 C ATOM 1227 CD GLN A 79 -244.046 86.027 61.825 1.00 0.00 C ATOM 1228 OE1 GLN A 79 -245.287 86.430 62.054 1.00 0.00 O flip ATOM 1229 NE2 GLN A 79 -243.144 86.809 61.529 1.00 0.00 N flip ATOM 0 H GLN A 79 -246.752 81.854 61.239 1.00 0.00 H new ATOM 0 HA GLN A 79 -243.823 81.886 61.461 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -245.224 83.817 60.537 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -245.849 84.036 62.160 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -243.466 84.311 62.963 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -242.950 84.269 61.289 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -242.201 86.459 61.360 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -243.339 87.807 61.452 1.00 0.00 H new ATOM 1238 N ARG A 80 -243.614 81.663 63.911 1.00 0.00 N ATOM 1239 CA ARG A 80 -243.456 81.402 65.325 1.00 0.00 C ATOM 1240 C ARG A 80 -242.381 82.334 65.872 1.00 0.00 C ATOM 1241 O ARG A 80 -241.566 82.822 65.107 1.00 0.00 O ATOM 1242 CB ARG A 80 -243.039 79.948 65.527 1.00 0.00 C ATOM 1243 CG ARG A 80 -243.210 79.474 66.959 1.00 0.00 C ATOM 1244 CD ARG A 80 -242.526 78.140 67.208 1.00 0.00 C ATOM 1245 NE ARG A 80 -242.624 77.740 68.613 1.00 0.00 N ATOM 1246 CZ ARG A 80 -241.574 77.524 69.405 1.00 0.00 C ATOM 1247 NH1 ARG A 80 -240.337 77.615 68.931 1.00 0.00 N ATOM 1248 NH2 ARG A 80 -241.771 77.196 70.676 1.00 0.00 N ATOM 0 H ARG A 80 -242.745 81.619 63.379 1.00 0.00 H new ATOM 0 HA ARG A 80 -244.395 81.576 65.850 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -243.629 79.312 64.867 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -241.996 79.831 65.234 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -242.802 80.222 67.639 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -244.272 79.383 67.185 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -242.979 77.374 66.578 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -241.477 78.209 66.921 1.00 0.00 H new ATOM 0 HE ARG A 80 -243.555 77.619 69.011 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -240.183 77.852 67.951 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -239.541 77.448 69.547 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -242.720 77.111 71.040 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -240.973 77.029 71.289 1.00 0.00 H new ATOM 1262 N VAL A 81 -242.376 82.600 67.171 1.00 0.00 N ATOM 1263 CA VAL A 81 -241.338 83.444 67.748 1.00 0.00 C ATOM 1264 C VAL A 81 -240.434 82.616 68.658 1.00 0.00 C ATOM 1265 O VAL A 81 -240.896 81.695 69.331 1.00 0.00 O ATOM 1266 CB VAL A 81 -241.908 84.634 68.546 1.00 0.00 C ATOM 1267 CG1 VAL A 81 -241.027 85.868 68.355 1.00 0.00 C ATOM 1268 CG2 VAL A 81 -243.352 84.928 68.159 1.00 0.00 C ATOM 0 H VAL A 81 -243.066 82.251 67.836 1.00 0.00 H new ATOM 0 HA VAL A 81 -240.768 83.851 66.913 1.00 0.00 H new ATOM 0 HB VAL A 81 -241.906 84.365 69.602 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -241.440 86.701 68.923 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -240.018 85.653 68.707 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -240.994 86.131 67.298 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -243.720 85.772 68.742 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -243.402 85.170 67.097 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -243.968 84.052 68.361 1.00 0.00 H new ATOM 1278 N LEU A 82 -239.152 82.949 68.665 1.00 0.00 N ATOM 1279 CA LEU A 82 -238.143 82.165 69.370 1.00 0.00 C ATOM 1280 C LEU A 82 -237.733 82.825 70.670 1.00 0.00 C ATOM 1281 O LEU A 82 -237.834 84.043 70.828 1.00 0.00 O ATOM 1282 CB LEU A 82 -236.908 82.024 68.495 1.00 0.00 C ATOM 1283 CG LEU A 82 -237.188 81.680 67.041 1.00 0.00 C ATOM 1284 CD1 LEU A 82 -235.917 81.784 66.239 1.00 0.00 C ATOM 1285 CD2 LEU A 82 -237.794 80.298 66.917 1.00 0.00 C ATOM 0 H LEU A 82 -238.780 83.768 68.184 1.00 0.00 H new ATOM 0 HA LEU A 82 -238.577 81.190 69.592 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -236.347 82.958 68.530 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -236.267 81.251 68.919 1.00 0.00 H new ATOM 0 HG LEU A 82 -237.912 82.392 66.646 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -236.123 81.537 65.198 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -235.530 82.801 66.301 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -235.177 81.090 66.638 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -237.984 80.077 65.867 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -237.103 79.560 67.324 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -238.732 80.261 67.471 1.00 0.00 H new ATOM 1297 N LEU A 83 -237.264 82.005 71.591 1.00 0.00 N ATOM 1298 CA LEU A 83 -236.636 82.493 72.799 1.00 0.00 C ATOM 1299 C LEU A 83 -235.154 82.713 72.526 1.00 0.00 C ATOM 1300 O LEU A 83 -234.671 82.396 71.436 1.00 0.00 O ATOM 1301 CB LEU A 83 -236.812 81.495 73.955 1.00 0.00 C ATOM 1302 CG LEU A 83 -238.241 81.331 74.495 1.00 0.00 C ATOM 1303 CD1 LEU A 83 -239.120 80.559 73.519 1.00 0.00 C ATOM 1304 CD2 LEU A 83 -238.217 80.634 75.845 1.00 0.00 C ATOM 0 H LEU A 83 -237.308 80.988 71.522 1.00 0.00 H new ATOM 0 HA LEU A 83 -237.109 83.431 73.091 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -236.457 80.519 73.623 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -236.168 81.806 74.778 1.00 0.00 H new ATOM 0 HG LEU A 83 -238.669 82.326 74.615 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -240.124 80.461 73.932 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -239.169 81.095 72.571 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -238.697 79.568 73.354 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -239.236 80.524 76.216 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -237.762 79.649 75.738 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -237.636 81.228 76.551 1.00 0.00 H new ATOM 1316 N ASP A 84 -234.445 83.240 73.514 1.00 0.00 N ATOM 1317 CA ASP A 84 -233.004 83.474 73.413 1.00 0.00 C ATOM 1318 C ASP A 84 -232.277 82.252 72.858 1.00 0.00 C ATOM 1319 O ASP A 84 -231.516 82.348 71.890 1.00 0.00 O ATOM 1320 CB ASP A 84 -232.456 83.825 74.797 1.00 0.00 C ATOM 1321 CG ASP A 84 -230.943 83.841 74.865 1.00 0.00 C ATOM 1322 OD1 ASP A 84 -230.343 82.787 75.160 1.00 0.00 O ATOM 1323 OD2 ASP A 84 -230.351 84.920 74.671 1.00 0.00 O ATOM 0 H ASP A 84 -234.848 83.518 74.409 1.00 0.00 H new ATOM 0 HA ASP A 84 -232.834 84.300 72.723 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -232.835 84.804 75.091 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -232.836 83.105 75.522 1.00 0.00 H new ATOM 1328 N GLN A 85 -232.533 81.101 73.456 1.00 0.00 N ATOM 1329 CA GLN A 85 -231.857 79.883 73.078 1.00 0.00 C ATOM 1330 C GLN A 85 -232.811 78.850 72.481 1.00 0.00 C ATOM 1331 O GLN A 85 -232.707 77.661 72.778 1.00 0.00 O ATOM 1332 CB GLN A 85 -231.157 79.303 74.298 1.00 0.00 C ATOM 1333 CG GLN A 85 -232.054 79.195 75.521 1.00 0.00 C ATOM 1334 CD GLN A 85 -231.325 78.665 76.737 1.00 0.00 C ATOM 1335 OE1 GLN A 85 -230.356 77.913 76.617 1.00 0.00 O ATOM 1336 NE2 GLN A 85 -231.794 79.040 77.914 1.00 0.00 N ATOM 0 H GLN A 85 -233.210 80.990 74.210 1.00 0.00 H new ATOM 0 HA GLN A 85 -231.130 80.129 72.304 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -230.774 78.313 74.050 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -230.296 79.926 74.543 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -232.468 80.177 75.750 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -232.895 78.540 75.293 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -232.599 79.664 77.967 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -231.351 78.705 78.770 1.00 0.00 H new ATOM 1345 N GLU A 86 -233.737 79.292 71.634 1.00 0.00 N ATOM 1346 CA GLU A 86 -234.554 78.358 70.868 1.00 0.00 C ATOM 1347 C GLU A 86 -233.669 77.527 69.946 1.00 0.00 C ATOM 1348 O GLU A 86 -233.985 76.378 69.634 1.00 0.00 O ATOM 1349 CB GLU A 86 -235.588 79.121 70.045 1.00 0.00 C ATOM 1350 CG GLU A 86 -236.406 78.247 69.105 1.00 0.00 C ATOM 1351 CD GLU A 86 -237.229 77.198 69.820 1.00 0.00 C ATOM 1352 OE1 GLU A 86 -238.160 77.574 70.560 1.00 0.00 O ATOM 1353 OE2 GLU A 86 -236.971 75.993 69.619 1.00 0.00 O ATOM 0 H GLU A 86 -233.938 80.277 71.463 1.00 0.00 H new ATOM 0 HA GLU A 86 -235.071 77.693 71.559 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -236.266 79.639 70.724 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -235.077 79.886 69.460 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -237.071 78.881 68.518 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -235.734 77.754 68.403 1.00 0.00 H new ATOM 1360 N CYS A 87 -232.546 78.125 69.549 1.00 0.00 N ATOM 1361 CA CYS A 87 -231.620 77.531 68.597 1.00 0.00 C ATOM 1362 C CYS A 87 -232.203 77.573 67.188 1.00 0.00 C ATOM 1363 O CYS A 87 -233.276 77.038 66.929 1.00 0.00 O ATOM 1364 CB CYS A 87 -231.261 76.107 69.014 1.00 0.00 C ATOM 1365 SG CYS A 87 -230.008 76.005 70.315 1.00 0.00 S ATOM 0 H CYS A 87 -232.255 79.043 69.885 1.00 0.00 H new ATOM 0 HA CYS A 87 -230.700 78.115 68.592 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -232.165 75.602 69.356 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -230.904 75.564 68.139 1.00 0.00 H new ATOM 0 HG CYS A 87 -229.777 74.757 70.598 1.00 0.00 H new ATOM 1371 N VAL A 88 -231.482 78.210 66.275 1.00 0.00 N ATOM 1372 CA VAL A 88 -231.986 78.447 64.935 1.00 0.00 C ATOM 1373 C VAL A 88 -231.953 77.161 64.133 1.00 0.00 C ATOM 1374 O VAL A 88 -232.862 76.878 63.353 1.00 0.00 O ATOM 1375 CB VAL A 88 -231.180 79.547 64.212 1.00 0.00 C ATOM 1376 CG1 VAL A 88 -231.681 79.759 62.797 1.00 0.00 C ATOM 1377 CG2 VAL A 88 -231.255 80.850 64.983 1.00 0.00 C ATOM 0 H VAL A 88 -230.543 78.572 66.442 1.00 0.00 H new ATOM 0 HA VAL A 88 -233.016 78.793 65.021 1.00 0.00 H new ATOM 0 HB VAL A 88 -230.142 79.217 64.162 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -231.092 80.540 62.316 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -231.583 78.831 62.233 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -232.729 80.058 62.823 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -230.682 81.616 64.460 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -232.295 81.166 65.062 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -230.842 80.706 65.982 1.00 0.00 H new ATOM 1387 N PHE A 89 -230.922 76.363 64.352 1.00 0.00 N ATOM 1388 CA PHE A 89 -230.819 75.089 63.649 1.00 0.00 C ATOM 1389 C PHE A 89 -231.833 74.113 64.233 1.00 0.00 C ATOM 1390 O PHE A 89 -232.424 73.303 63.517 1.00 0.00 O ATOM 1391 CB PHE A 89 -229.388 74.531 63.700 1.00 0.00 C ATOM 1392 CG PHE A 89 -229.239 73.161 63.101 1.00 0.00 C ATOM 1393 CD1 PHE A 89 -229.160 73.000 61.728 1.00 0.00 C ATOM 1394 CD2 PHE A 89 -229.169 72.037 63.909 1.00 0.00 C ATOM 1395 CE1 PHE A 89 -229.017 71.746 61.170 1.00 0.00 C ATOM 1396 CE2 PHE A 89 -229.029 70.779 63.356 1.00 0.00 C ATOM 1397 CZ PHE A 89 -228.951 70.633 61.986 1.00 0.00 C ATOM 0 H PHE A 89 -230.157 76.565 64.996 1.00 0.00 H new ATOM 0 HA PHE A 89 -231.048 75.242 62.594 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -228.723 75.218 63.177 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -229.059 74.499 64.739 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -229.211 73.867 61.086 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -229.224 72.146 64.982 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -228.957 71.635 60.097 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -228.981 69.910 63.996 1.00 0.00 H new ATOM 0 HZ PHE A 89 -228.839 69.650 61.552 1.00 0.00 H new ATOM 1407 N GLN A 90 -232.056 74.232 65.536 1.00 0.00 N ATOM 1408 CA GLN A 90 -233.069 73.443 66.220 1.00 0.00 C ATOM 1409 C GLN A 90 -234.465 73.800 65.720 1.00 0.00 C ATOM 1410 O GLN A 90 -235.288 72.924 65.466 1.00 0.00 O ATOM 1411 CB GLN A 90 -232.992 73.670 67.729 1.00 0.00 C ATOM 1412 CG GLN A 90 -231.953 72.821 68.430 1.00 0.00 C ATOM 1413 CD GLN A 90 -232.153 72.775 69.935 1.00 0.00 C ATOM 1414 OE1 GLN A 90 -232.799 73.790 70.488 1.00 0.00 O flip ATOM 1415 NE2 GLN A 90 -231.754 71.816 70.595 1.00 0.00 N flip ATOM 0 H GLN A 90 -231.544 74.873 66.143 1.00 0.00 H new ATOM 0 HA GLN A 90 -232.877 72.392 66.004 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -232.773 74.721 67.917 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -233.969 73.465 68.167 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -231.989 71.807 68.032 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -230.960 73.214 68.211 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -231.260 71.051 70.136 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -231.918 71.786 71.601 1.00 0.00 H new ATOM 1424 N ALA A 91 -234.727 75.092 65.588 1.00 0.00 N ATOM 1425 CA ALA A 91 -235.999 75.567 65.068 1.00 0.00 C ATOM 1426 C ALA A 91 -236.193 75.103 63.634 1.00 0.00 C ATOM 1427 O ALA A 91 -237.240 74.572 63.277 1.00 0.00 O ATOM 1428 CB ALA A 91 -236.067 77.084 65.154 1.00 0.00 C ATOM 0 H ALA A 91 -234.071 75.833 65.836 1.00 0.00 H new ATOM 0 HA ALA A 91 -236.803 75.149 65.674 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -237.024 77.428 64.762 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -235.969 77.394 66.194 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -235.257 77.518 64.568 1.00 0.00 H new ATOM 1434 N GLN A 92 -235.149 75.275 62.835 1.00 0.00 N ATOM 1435 CA GLN A 92 -235.171 74.915 61.425 1.00 0.00 C ATOM 1436 C GLN A 92 -235.543 73.444 61.231 1.00 0.00 C ATOM 1437 O GLN A 92 -236.275 73.097 60.309 1.00 0.00 O ATOM 1438 CB GLN A 92 -233.795 75.176 60.824 1.00 0.00 C ATOM 1439 CG GLN A 92 -233.828 75.529 59.355 1.00 0.00 C ATOM 1440 CD GLN A 92 -232.441 75.685 58.765 1.00 0.00 C ATOM 1441 OE1 GLN A 92 -231.485 76.074 59.596 1.00 0.00 O flip ATOM 1442 NE2 GLN A 92 -232.227 75.452 57.578 1.00 0.00 N flip ATOM 0 H GLN A 92 -234.261 75.669 63.147 1.00 0.00 H new ATOM 0 HA GLN A 92 -235.925 75.522 60.925 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -233.317 75.988 61.373 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -233.175 74.290 60.961 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -234.366 74.753 58.810 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -234.383 76.457 59.220 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -232.991 75.154 56.971 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -231.286 75.556 57.200 1.00 0.00 H new ATOM 1451 N SER A 93 -235.037 72.591 62.113 1.00 0.00 N ATOM 1452 CA SER A 93 -235.267 71.152 62.007 1.00 0.00 C ATOM 1453 C SER A 93 -236.694 70.759 62.413 1.00 0.00 C ATOM 1454 O SER A 93 -237.079 69.596 62.291 1.00 0.00 O ATOM 1455 CB SER A 93 -234.238 70.392 62.853 1.00 0.00 C ATOM 1456 OG SER A 93 -234.243 70.830 64.202 1.00 0.00 O ATOM 0 H SER A 93 -234.465 72.869 62.910 1.00 0.00 H new ATOM 0 HA SER A 93 -235.147 70.877 60.959 1.00 0.00 H new ATOM 0 HB2 SER A 93 -234.454 69.324 62.816 1.00 0.00 H new ATOM 0 HB3 SER A 93 -233.244 70.531 62.429 1.00 0.00 H new ATOM 0 HG SER A 93 -234.896 71.553 64.309 1.00 0.00 H new ATOM 1462 N LYS A 94 -237.474 71.723 62.891 1.00 0.00 N ATOM 1463 CA LYS A 94 -238.848 71.464 63.283 1.00 0.00 C ATOM 1464 C LYS A 94 -239.800 71.779 62.140 1.00 0.00 C ATOM 1465 O LYS A 94 -240.973 71.394 62.160 1.00 0.00 O ATOM 1466 CB LYS A 94 -239.227 72.328 64.476 1.00 0.00 C ATOM 1467 CG LYS A 94 -238.275 72.229 65.657 1.00 0.00 C ATOM 1468 CD LYS A 94 -238.973 72.567 66.968 1.00 0.00 C ATOM 1469 CE LYS A 94 -238.105 73.423 67.880 1.00 0.00 C ATOM 1470 NZ LYS A 94 -238.100 74.851 67.462 1.00 0.00 N ATOM 0 H LYS A 94 -237.175 72.690 63.015 1.00 0.00 H new ATOM 0 HA LYS A 94 -238.926 70.409 63.546 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -239.278 73.368 64.153 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -240.227 72.048 64.808 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -237.865 71.220 65.712 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -237.435 72.907 65.506 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -239.904 73.094 66.756 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -239.239 71.644 67.484 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -238.469 73.346 68.905 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -237.085 73.040 67.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -237.167 75.267 67.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -238.300 74.915 66.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -238.829 75.370 67.991 1.00 0.00 H new ATOM 1484 N TRP A 95 -239.286 72.500 61.163 1.00 0.00 N ATOM 1485 CA TRP A 95 -240.087 73.003 60.055 1.00 0.00 C ATOM 1486 C TRP A 95 -240.663 71.895 59.193 1.00 0.00 C ATOM 1487 O TRP A 95 -240.131 70.787 59.125 1.00 0.00 O ATOM 1488 CB TRP A 95 -239.271 73.946 59.182 1.00 0.00 C ATOM 1489 CG TRP A 95 -238.985 75.252 59.839 1.00 0.00 C ATOM 1490 CD1 TRP A 95 -239.274 75.608 61.122 1.00 0.00 C ATOM 1491 CD2 TRP A 95 -238.365 76.382 59.236 1.00 0.00 C ATOM 1492 NE1 TRP A 95 -238.868 76.894 61.356 1.00 0.00 N ATOM 1493 CE2 TRP A 95 -238.306 77.396 60.209 1.00 0.00 C ATOM 1494 CE3 TRP A 95 -237.850 76.631 57.964 1.00 0.00 C ATOM 1495 CZ2 TRP A 95 -237.750 78.642 59.943 1.00 0.00 C ATOM 1496 CZ3 TRP A 95 -237.304 77.869 57.704 1.00 0.00 C ATOM 1497 CH2 TRP A 95 -237.260 78.856 58.684 1.00 0.00 C ATOM 0 H TRP A 95 -238.300 72.756 61.111 1.00 0.00 H new ATOM 0 HA TRP A 95 -240.921 73.541 60.505 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -238.329 73.464 58.920 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -239.808 74.125 58.250 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -239.754 74.969 61.848 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -238.967 77.397 62.238 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -237.879 75.869 57.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -237.707 79.411 60.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -236.903 78.077 56.723 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -236.828 79.816 58.444 1.00 0.00 H new ATOM 1508 N LYS A 96 -241.759 72.224 58.528 1.00 0.00 N ATOM 1509 CA LYS A 96 -242.416 71.300 57.608 1.00 0.00 C ATOM 1510 C LYS A 96 -242.683 72.012 56.294 1.00 0.00 C ATOM 1511 O LYS A 96 -243.498 71.584 55.476 1.00 0.00 O ATOM 1512 CB LYS A 96 -243.717 70.774 58.219 1.00 0.00 C ATOM 1513 CG LYS A 96 -243.493 69.960 59.482 1.00 0.00 C ATOM 1514 CD LYS A 96 -244.799 69.530 60.123 1.00 0.00 C ATOM 1515 CE LYS A 96 -244.550 68.769 61.416 1.00 0.00 C ATOM 1516 NZ LYS A 96 -245.818 68.388 62.094 1.00 0.00 N ATOM 0 H LYS A 96 -242.218 73.131 58.607 1.00 0.00 H new ATOM 0 HA LYS A 96 -241.766 70.445 57.423 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -244.371 71.616 58.447 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -244.234 70.158 57.483 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -242.899 69.078 59.244 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -242.916 70.549 60.195 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -245.414 70.407 60.326 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -245.358 68.902 59.430 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -243.970 67.871 61.202 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -243.950 69.383 62.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -245.601 67.872 62.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -246.361 69.245 62.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -246.380 67.780 61.464 1.00 0.00 H new ATOM 1530 N GLY A 97 -241.963 73.105 56.120 1.00 0.00 N ATOM 1531 CA GLY A 97 -242.084 73.942 54.948 1.00 0.00 C ATOM 1532 C GLY A 97 -240.880 74.854 54.859 1.00 0.00 C ATOM 1533 O GLY A 97 -240.132 74.968 55.832 1.00 0.00 O ATOM 0 H GLY A 97 -241.274 73.436 56.795 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -242.154 73.325 54.052 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -242.999 74.532 55.001 1.00 0.00 H new ATOM 1537 N ALA A 98 -240.675 75.500 53.729 1.00 0.00 N ATOM 1538 CA ALA A 98 -239.492 76.328 53.561 1.00 0.00 C ATOM 1539 C ALA A 98 -239.766 77.765 53.978 1.00 0.00 C ATOM 1540 O ALA A 98 -240.237 78.578 53.179 1.00 0.00 O ATOM 1541 CB ALA A 98 -238.993 76.268 52.124 1.00 0.00 C ATOM 0 H ALA A 98 -241.300 75.471 52.923 1.00 0.00 H new ATOM 0 HA ALA A 98 -238.711 75.934 54.211 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -238.107 76.895 52.020 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -238.741 75.239 51.869 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -239.773 76.628 51.453 1.00 0.00 H new ATOM 1547 N GLY A 99 -239.471 78.081 55.232 1.00 0.00 N ATOM 1548 CA GLY A 99 -239.750 79.403 55.731 1.00 0.00 C ATOM 1549 C GLY A 99 -238.516 80.265 55.767 1.00 0.00 C ATOM 1550 O GLY A 99 -237.609 80.101 54.949 1.00 0.00 O ATOM 0 H GLY A 99 -239.045 77.445 55.906 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -240.504 79.876 55.102 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -240.171 79.331 56.734 1.00 0.00 H new ATOM 1554 N LYS A 100 -238.495 81.190 56.706 1.00 0.00 N ATOM 1555 CA LYS A 100 -237.345 82.045 56.951 1.00 0.00 C ATOM 1556 C LYS A 100 -237.362 82.441 58.405 1.00 0.00 C ATOM 1557 O LYS A 100 -238.413 82.430 59.043 1.00 0.00 O ATOM 1558 CB LYS A 100 -237.350 83.336 56.106 1.00 0.00 C ATOM 1559 CG LYS A 100 -237.692 83.146 54.656 1.00 0.00 C ATOM 1560 CD LYS A 100 -239.195 83.177 54.476 1.00 0.00 C ATOM 1561 CE LYS A 100 -239.565 82.847 53.062 1.00 0.00 C ATOM 1562 NZ LYS A 100 -239.213 81.441 52.704 1.00 0.00 N ATOM 0 H LYS A 100 -239.283 81.373 57.328 1.00 0.00 H new ATOM 0 HA LYS A 100 -236.454 81.480 56.676 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -238.063 84.035 56.543 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -236.366 83.800 56.174 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -237.229 83.930 54.058 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -237.293 82.196 54.300 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -239.663 82.464 55.155 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -239.577 84.164 54.737 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -240.635 82.999 52.923 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -239.055 83.532 52.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -239.620 81.207 51.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -238.179 81.342 52.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -239.595 80.794 53.423 1.00 0.00 H new ATOM 1576 N PHE A 101 -236.217 82.774 58.940 1.00 0.00 N ATOM 1577 CA PHE A 101 -236.180 83.351 60.259 1.00 0.00 C ATOM 1578 C PHE A 101 -236.370 84.862 60.146 1.00 0.00 C ATOM 1579 O PHE A 101 -235.671 85.522 59.404 1.00 0.00 O ATOM 1580 CB PHE A 101 -234.874 82.961 60.948 1.00 0.00 C ATOM 1581 CG PHE A 101 -234.769 81.472 61.141 1.00 0.00 C ATOM 1582 CD1 PHE A 101 -235.288 80.872 62.277 1.00 0.00 C ATOM 1583 CD2 PHE A 101 -234.180 80.670 60.175 1.00 0.00 C ATOM 1584 CE1 PHE A 101 -235.215 79.503 62.449 1.00 0.00 C ATOM 1585 CE2 PHE A 101 -234.110 79.298 60.338 1.00 0.00 C ATOM 1586 CZ PHE A 101 -234.628 78.715 61.477 1.00 0.00 C ATOM 0 H PHE A 101 -235.309 82.658 58.491 1.00 0.00 H new ATOM 0 HA PHE A 101 -236.991 82.968 60.878 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -234.030 83.311 60.353 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -234.810 83.459 61.916 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -235.755 81.481 63.037 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -233.771 81.122 59.284 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -235.617 79.049 63.343 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -233.651 78.685 59.576 1.00 0.00 H new ATOM 0 HZ PHE A 101 -234.575 77.644 61.608 1.00 0.00 H new ATOM 1596 N ILE A 102 -237.353 85.402 60.836 1.00 0.00 N ATOM 1597 CA ILE A 102 -237.691 86.814 60.691 1.00 0.00 C ATOM 1598 C ILE A 102 -237.140 87.616 61.866 1.00 0.00 C ATOM 1599 O ILE A 102 -237.443 87.327 63.020 1.00 0.00 O ATOM 1600 CB ILE A 102 -239.232 87.026 60.568 1.00 0.00 C ATOM 1601 CG1 ILE A 102 -239.732 86.764 59.134 1.00 0.00 C ATOM 1602 CG2 ILE A 102 -239.631 88.436 60.993 1.00 0.00 C ATOM 1603 CD1 ILE A 102 -239.502 85.358 58.621 1.00 0.00 C ATOM 0 H ILE A 102 -237.934 84.892 61.502 1.00 0.00 H new ATOM 0 HA ILE A 102 -237.231 87.171 59.769 1.00 0.00 H new ATOM 0 HB ILE A 102 -239.701 86.304 61.237 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -240.800 86.979 59.093 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -239.240 87.465 58.460 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -240.710 88.553 60.896 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -239.340 88.599 62.031 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -239.128 89.164 60.356 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -239.888 85.274 57.605 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -238.434 85.140 58.623 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -240.018 84.647 59.265 1.00 0.00 H new ATOM 1615 N LEU A 103 -236.311 88.608 61.570 1.00 0.00 N ATOM 1616 CA LEU A 103 -235.730 89.440 62.611 1.00 0.00 C ATOM 1617 C LEU A 103 -236.776 90.411 63.136 1.00 0.00 C ATOM 1618 O LEU A 103 -237.517 91.010 62.356 1.00 0.00 O ATOM 1619 CB LEU A 103 -234.533 90.225 62.071 1.00 0.00 C ATOM 1620 CG LEU A 103 -233.605 90.795 63.144 1.00 0.00 C ATOM 1621 CD1 LEU A 103 -232.620 89.738 63.612 1.00 0.00 C ATOM 1622 CD2 LEU A 103 -232.874 92.026 62.635 1.00 0.00 C ATOM 0 H LEU A 103 -236.028 88.854 60.622 1.00 0.00 H new ATOM 0 HA LEU A 103 -235.389 88.793 63.419 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -233.953 89.573 61.418 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -234.902 91.046 61.456 1.00 0.00 H new ATOM 0 HG LEU A 103 -234.215 91.097 63.995 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -231.967 90.161 64.376 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -233.166 88.892 64.029 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -232.019 89.401 62.767 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -232.221 92.411 63.418 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -232.277 91.760 61.763 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -233.599 92.791 62.358 1.00 0.00 H new ATOM 1634 N LYS A 104 -236.850 90.557 64.449 1.00 0.00 N ATOM 1635 CA LYS A 104 -237.799 91.473 65.059 1.00 0.00 C ATOM 1636 C LYS A 104 -237.316 91.876 66.449 1.00 0.00 C ATOM 1637 O LYS A 104 -236.289 91.393 66.916 1.00 0.00 O ATOM 1638 CB LYS A 104 -239.183 90.821 65.128 1.00 0.00 C ATOM 1639 CG LYS A 104 -240.309 91.823 65.295 1.00 0.00 C ATOM 1640 CD LYS A 104 -241.649 91.227 64.910 1.00 0.00 C ATOM 1641 CE LYS A 104 -241.684 90.824 63.443 1.00 0.00 C ATOM 1642 NZ LYS A 104 -241.339 91.964 62.548 1.00 0.00 N ATOM 0 H LYS A 104 -236.263 90.052 65.113 1.00 0.00 H new ATOM 0 HA LYS A 104 -237.874 92.373 64.449 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -239.351 90.244 64.219 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -239.205 90.118 65.961 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -240.345 92.161 66.330 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -240.110 92.700 64.680 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -241.852 90.355 65.532 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -242.440 91.951 65.108 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -240.985 90.005 63.274 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -242.677 90.452 63.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -241.615 91.735 61.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -241.847 92.816 62.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -240.314 92.138 62.586 1.00 0.00 H new ATOM 1656 N LEU A 105 -238.044 92.765 67.105 1.00 0.00 N ATOM 1657 CA LEU A 105 -237.715 93.146 68.463 1.00 0.00 C ATOM 1658 C LEU A 105 -238.677 92.484 69.412 1.00 0.00 C ATOM 1659 O LEU A 105 -239.858 92.344 69.117 1.00 0.00 O ATOM 1660 CB LEU A 105 -237.768 94.657 68.688 1.00 0.00 C ATOM 1661 CG LEU A 105 -236.435 95.396 68.595 1.00 0.00 C ATOM 1662 CD1 LEU A 105 -235.905 95.381 67.181 1.00 0.00 C ATOM 1663 CD2 LEU A 105 -236.584 96.823 69.096 1.00 0.00 C ATOM 0 H LEU A 105 -238.863 93.233 66.718 1.00 0.00 H new ATOM 0 HA LEU A 105 -236.690 92.821 68.645 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -238.452 95.089 67.957 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -238.195 94.843 69.673 1.00 0.00 H new ATOM 0 HG LEU A 105 -235.715 94.879 69.229 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -234.955 95.914 67.143 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -235.756 94.350 66.859 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -236.621 95.868 66.519 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -235.625 97.336 69.023 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -237.323 97.346 68.489 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -236.911 96.811 70.136 1.00 0.00 H new ATOM 1675 N LYS A 106 -238.167 92.103 70.556 1.00 0.00 N ATOM 1676 CA LYS A 106 -238.959 91.433 71.565 1.00 0.00 C ATOM 1677 C LYS A 106 -239.964 92.401 72.172 1.00 0.00 C ATOM 1678 O LYS A 106 -241.001 91.997 72.686 1.00 0.00 O ATOM 1679 CB LYS A 106 -238.013 90.884 72.616 1.00 0.00 C ATOM 1680 CG LYS A 106 -237.200 91.979 73.238 1.00 0.00 C ATOM 1681 CD LYS A 106 -235.948 91.461 73.912 1.00 0.00 C ATOM 1682 CE LYS A 106 -236.259 90.511 75.048 1.00 0.00 C ATOM 1683 NZ LYS A 106 -236.955 91.189 76.172 1.00 0.00 N ATOM 0 H LYS A 106 -237.192 92.247 70.817 1.00 0.00 H new ATOM 0 HA LYS A 106 -239.527 90.613 71.126 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -238.583 90.367 73.388 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -237.350 90.147 72.163 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -236.923 92.702 72.471 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -237.810 92.509 73.970 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -235.326 90.952 73.176 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -235.368 92.302 74.293 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -236.880 89.695 74.678 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -235.333 90.067 75.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -237.027 90.537 76.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -236.417 92.033 76.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -237.909 91.472 75.869 1.00 0.00 H new