USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=20 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 87 CYS SG : rot -160:sc= 0 USER MOD Set 1.2: A 90 GLN :FLIP amide:sc= -0.101 F(o=-1.4!,f=-0.1) USER MOD Single : A 6 SER OG : rot 29:sc= 0.167 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.178 F(o=-1.4,f=-0.18) USER MOD Single : A 12 HIS : no HD1:sc= -5! C(o=-5!,f=-5.5!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -96:sc= 0.452 USER MOD Single : A 30 THR OG1 : rot -98:sc= 0.611! USER MOD Single : A 32 GLN :FLIP amide:sc= -0.702 F(o=-2.2!,f=-0.7) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.0656 K(o=-0.066,f=-1.3!) USER MOD Single : A 38 THR OG1 : rot 75:sc= 1.21 USER MOD Single : A 40 CYS SG : rot 69:sc= 1.26 USER MOD Single : A 41 LYS NZ :NH3+ -131:sc= -0.123 (180deg=-0.602) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 36:sc= -0.424 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN :FLIP amide:sc= -0.0302 F(o=-1.1,f=-0.03) USER MOD Single : A 85 GLN : amide:sc= 1.22 K(o=1.2,f=-0.13) USER MOD Single : A 92 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.5!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -161:sc= 0.0065 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -164:sc= -0.0296 (180deg=-0.291) USER MOD Single : A 100 LYS NZ :NH3+ -164:sc= 1.28 (180deg=1.03) USER MOD Single : A 104 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0506) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N SER A 6 -221.304 76.239 58.779 1.00 0.00 N ATOM 71 CA SER A 6 -222.358 77.226 58.748 1.00 0.00 C ATOM 72 C SER A 6 -223.516 76.724 57.895 1.00 0.00 C ATOM 73 O SER A 6 -223.316 76.136 56.830 1.00 0.00 O ATOM 74 CB SER A 6 -221.831 78.554 58.206 1.00 0.00 C ATOM 75 OG SER A 6 -220.669 78.967 58.905 1.00 0.00 O ATOM 0 HA SER A 6 -222.716 77.390 59.764 1.00 0.00 H new ATOM 0 HB2 SER A 6 -221.604 78.452 57.145 1.00 0.00 H new ATOM 0 HB3 SER A 6 -222.603 79.318 58.295 1.00 0.00 H new ATOM 0 HG SER A 6 -220.189 78.179 59.236 1.00 0.00 H new ATOM 81 N PHE A 7 -224.717 76.950 58.374 1.00 0.00 N ATOM 82 CA PHE A 7 -225.913 76.562 57.671 1.00 0.00 C ATOM 83 C PHE A 7 -226.528 77.812 57.059 1.00 0.00 C ATOM 84 O PHE A 7 -226.354 78.915 57.578 1.00 0.00 O ATOM 85 CB PHE A 7 -226.872 75.844 58.636 1.00 0.00 C ATOM 86 CG PHE A 7 -227.746 76.736 59.464 1.00 0.00 C ATOM 87 CD1 PHE A 7 -227.285 77.260 60.651 1.00 0.00 C ATOM 88 CD2 PHE A 7 -229.040 77.026 59.064 1.00 0.00 C ATOM 89 CE1 PHE A 7 -228.089 78.060 61.427 1.00 0.00 C ATOM 90 CE2 PHE A 7 -229.852 77.826 59.841 1.00 0.00 C ATOM 91 CZ PHE A 7 -229.375 78.343 61.024 1.00 0.00 C ATOM 0 H PHE A 7 -224.891 77.411 59.267 1.00 0.00 H new ATOM 0 HA PHE A 7 -225.691 75.859 56.868 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -227.510 75.177 58.056 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -226.283 75.219 59.307 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -226.279 77.040 60.976 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -229.417 76.622 58.136 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -227.712 78.467 62.354 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -230.860 78.046 59.522 1.00 0.00 H new ATOM 0 HZ PHE A 7 -230.008 78.969 61.635 1.00 0.00 H new ATOM 101 N PHE A 8 -227.205 77.655 55.947 1.00 0.00 N ATOM 102 CA PHE A 8 -227.732 78.810 55.231 1.00 0.00 C ATOM 103 C PHE A 8 -229.030 79.302 55.859 1.00 0.00 C ATOM 104 O PHE A 8 -230.006 78.557 55.951 1.00 0.00 O ATOM 105 CB PHE A 8 -227.967 78.495 53.753 1.00 0.00 C ATOM 106 CG PHE A 8 -226.716 78.492 52.920 1.00 0.00 C ATOM 107 CD1 PHE A 8 -226.243 79.668 52.357 1.00 0.00 C ATOM 108 CD2 PHE A 8 -226.021 77.317 52.688 1.00 0.00 C ATOM 109 CE1 PHE A 8 -225.100 79.672 51.583 1.00 0.00 C ATOM 110 CE2 PHE A 8 -224.879 77.316 51.911 1.00 0.00 C ATOM 111 CZ PHE A 8 -224.419 78.493 51.357 1.00 0.00 C ATOM 0 H PHE A 8 -227.407 76.753 55.516 1.00 0.00 H new ATOM 0 HA PHE A 8 -226.982 79.597 55.304 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -228.447 77.520 53.672 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -228.662 79.227 53.343 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -226.776 80.592 52.526 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -226.375 76.392 53.119 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -224.739 80.596 51.155 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -224.346 76.393 51.737 1.00 0.00 H new ATOM 0 HZ PHE A 8 -223.527 78.492 50.747 1.00 0.00 H new ATOM 121 N VAL A 9 -229.029 80.555 56.296 1.00 0.00 N ATOM 122 CA VAL A 9 -230.225 81.188 56.831 1.00 0.00 C ATOM 123 C VAL A 9 -230.772 82.204 55.846 1.00 0.00 C ATOM 124 O VAL A 9 -230.023 82.988 55.264 1.00 0.00 O ATOM 125 CB VAL A 9 -229.961 81.952 58.147 1.00 0.00 C ATOM 126 CG1 VAL A 9 -231.264 82.406 58.785 1.00 0.00 C ATOM 127 CG2 VAL A 9 -229.165 81.126 59.121 1.00 0.00 C ATOM 0 H VAL A 9 -228.205 81.156 56.289 1.00 0.00 H new ATOM 0 HA VAL A 9 -230.929 80.376 57.014 1.00 0.00 H new ATOM 0 HB VAL A 9 -229.371 82.833 57.893 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -231.049 82.941 59.710 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -231.795 83.066 58.099 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -231.884 81.537 59.004 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -229.000 81.698 60.034 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -229.713 80.214 59.358 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -228.204 80.866 58.677 1.00 0.00 H new ATOM 137 N GLN A 10 -232.071 82.184 55.658 1.00 0.00 N ATOM 138 CA GLN A 10 -232.756 83.259 54.998 1.00 0.00 C ATOM 139 C GLN A 10 -233.645 83.949 56.024 1.00 0.00 C ATOM 140 O GLN A 10 -234.627 83.379 56.486 1.00 0.00 O ATOM 141 CB GLN A 10 -233.567 82.707 53.838 1.00 0.00 C ATOM 142 CG GLN A 10 -232.718 82.184 52.693 1.00 0.00 C ATOM 143 CD GLN A 10 -233.550 81.563 51.593 1.00 0.00 C ATOM 144 OE1 GLN A 10 -233.938 82.369 50.618 1.00 0.00 O flip ATOM 145 NE2 GLN A 10 -233.840 80.369 51.615 1.00 0.00 N flip ATOM 0 H GLN A 10 -232.677 81.421 55.959 1.00 0.00 H new ATOM 0 HA GLN A 10 -232.051 83.984 54.591 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -234.205 81.902 54.203 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -234.226 83.490 53.462 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -232.127 83.002 52.280 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -232.015 81.444 53.075 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -233.521 79.781 52.385 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -234.399 79.966 50.863 1.00 0.00 H new ATOM 154 N VAL A 11 -233.272 85.156 56.410 1.00 0.00 N ATOM 155 CA VAL A 11 -233.981 85.879 57.455 1.00 0.00 C ATOM 156 C VAL A 11 -234.291 87.303 57.022 1.00 0.00 C ATOM 157 O VAL A 11 -233.401 88.061 56.676 1.00 0.00 O ATOM 158 CB VAL A 11 -233.191 85.866 58.790 1.00 0.00 C ATOM 159 CG1 VAL A 11 -231.705 85.947 58.531 1.00 0.00 C ATOM 160 CG2 VAL A 11 -233.635 86.988 59.721 1.00 0.00 C ATOM 0 H VAL A 11 -232.478 85.660 56.014 1.00 0.00 H new ATOM 0 HA VAL A 11 -234.927 85.364 57.625 1.00 0.00 H new ATOM 0 HB VAL A 11 -233.408 84.921 59.289 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -231.169 85.937 59.480 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -231.394 85.093 57.929 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -231.479 86.870 57.997 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -233.058 86.944 60.645 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -233.471 87.950 59.236 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -234.695 86.873 59.950 1.00 0.00 H new ATOM 170 N HIS A 12 -235.566 87.658 57.041 1.00 0.00 N ATOM 171 CA HIS A 12 -235.996 88.976 56.576 1.00 0.00 C ATOM 172 C HIS A 12 -235.752 90.034 57.646 1.00 0.00 C ATOM 173 O HIS A 12 -235.889 89.765 58.844 1.00 0.00 O ATOM 174 CB HIS A 12 -237.495 88.987 56.227 1.00 0.00 C ATOM 175 CG HIS A 12 -237.895 88.157 55.045 1.00 0.00 C ATOM 176 ND1 HIS A 12 -238.320 88.705 53.856 1.00 0.00 N ATOM 177 CD2 HIS A 12 -237.972 86.816 54.883 1.00 0.00 C ATOM 178 CE1 HIS A 12 -238.640 87.743 53.016 1.00 0.00 C ATOM 179 NE2 HIS A 12 -238.437 86.584 53.609 1.00 0.00 N ATOM 0 H HIS A 12 -236.322 87.058 57.371 1.00 0.00 H new ATOM 0 HA HIS A 12 -235.411 89.201 55.684 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -238.054 88.641 57.096 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -237.798 90.018 56.043 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -237.716 86.067 55.617 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -239.007 87.881 52.010 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -238.598 85.667 53.193 1.00 0.00 H new ATOM 287 N LEU A 20 -234.763 90.358 52.351 1.00 0.00 N ATOM 288 CA LEU A 20 -234.473 89.015 52.809 1.00 0.00 C ATOM 289 C LEU A 20 -232.977 88.862 53.004 1.00 0.00 C ATOM 290 O LEU A 20 -232.231 88.681 52.043 1.00 0.00 O ATOM 291 CB LEU A 20 -234.985 87.954 51.830 1.00 0.00 C ATOM 292 CG LEU A 20 -234.566 86.521 52.174 1.00 0.00 C ATOM 293 CD1 LEU A 20 -235.089 86.124 53.541 1.00 0.00 C ATOM 294 CD2 LEU A 20 -235.050 85.545 51.118 1.00 0.00 C ATOM 0 HA LEU A 20 -234.991 88.862 53.756 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -236.073 88.003 51.796 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -234.624 88.195 50.830 1.00 0.00 H new ATOM 0 HG LEU A 20 -233.477 86.486 52.196 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -234.781 85.103 53.766 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -234.686 86.800 54.295 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -236.177 86.183 53.546 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -234.739 84.535 51.386 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -236.137 85.586 51.056 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -234.621 85.812 50.152 1.00 0.00 H new ATOM 306 N THR A 21 -232.546 88.965 54.244 1.00 0.00 N ATOM 307 CA THR A 21 -231.148 88.823 54.569 1.00 0.00 C ATOM 308 C THR A 21 -230.738 87.355 54.510 1.00 0.00 C ATOM 309 O THR A 21 -231.153 86.553 55.343 1.00 0.00 O ATOM 310 CB THR A 21 -230.843 89.388 55.973 1.00 0.00 C ATOM 311 OG1 THR A 21 -231.344 90.730 56.069 1.00 0.00 O ATOM 312 CG2 THR A 21 -229.347 89.379 56.257 1.00 0.00 C ATOM 0 H THR A 21 -233.150 89.148 55.045 1.00 0.00 H new ATOM 0 HA THR A 21 -230.576 89.390 53.835 1.00 0.00 H new ATOM 0 HB THR A 21 -231.334 88.754 56.712 1.00 0.00 H new ATOM 0 HG1 THR A 21 -231.152 91.088 56.961 1.00 0.00 H new ATOM 0 HG21 THR A 21 -229.163 89.783 57.253 1.00 0.00 H new ATOM 0 HG22 THR A 21 -228.973 88.357 56.205 1.00 0.00 H new ATOM 0 HG23 THR A 21 -228.832 89.992 55.517 1.00 0.00 H new ATOM 320 N VAL A 22 -229.949 86.996 53.514 1.00 0.00 N ATOM 321 CA VAL A 22 -229.432 85.641 53.429 1.00 0.00 C ATOM 322 C VAL A 22 -228.045 85.583 54.068 1.00 0.00 C ATOM 323 O VAL A 22 -227.106 86.239 53.615 1.00 0.00 O ATOM 324 CB VAL A 22 -229.385 85.122 51.966 1.00 0.00 C ATOM 325 CG1 VAL A 22 -228.574 86.049 51.068 1.00 0.00 C ATOM 326 CG2 VAL A 22 -228.839 83.700 51.916 1.00 0.00 C ATOM 0 H VAL A 22 -229.654 87.616 52.759 1.00 0.00 H new ATOM 0 HA VAL A 22 -230.112 84.986 53.973 1.00 0.00 H new ATOM 0 HB VAL A 22 -230.406 85.111 51.586 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -228.563 85.654 50.052 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -229.026 87.041 51.067 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -227.552 86.116 51.442 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -228.815 83.356 50.882 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -227.830 83.683 52.328 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -229.481 83.043 52.502 1.00 0.00 H new ATOM 336 N ILE A 23 -227.937 84.830 55.144 1.00 0.00 N ATOM 337 CA ILE A 23 -226.691 84.723 55.885 1.00 0.00 C ATOM 338 C ILE A 23 -226.333 83.279 56.155 1.00 0.00 C ATOM 339 O ILE A 23 -227.158 82.514 56.637 1.00 0.00 O ATOM 340 CB ILE A 23 -226.754 85.457 57.241 1.00 0.00 C ATOM 341 CG1 ILE A 23 -228.162 85.389 57.836 1.00 0.00 C ATOM 342 CG2 ILE A 23 -226.296 86.900 57.092 1.00 0.00 C ATOM 343 CD1 ILE A 23 -228.272 86.038 59.198 1.00 0.00 C ATOM 0 H ILE A 23 -228.703 84.278 55.529 1.00 0.00 H new ATOM 0 HA ILE A 23 -225.932 85.189 55.257 1.00 0.00 H new ATOM 0 HB ILE A 23 -226.076 84.954 57.930 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -228.860 85.874 57.154 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -228.465 84.345 57.914 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -226.348 87.400 58.059 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -225.269 86.920 56.728 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -226.943 87.416 56.382 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -229.297 85.953 59.560 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -227.599 85.538 59.895 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -228.000 87.091 59.122 1.00 0.00 H new ATOM 355 N LYS A 24 -225.110 82.899 55.850 1.00 0.00 N ATOM 356 CA LYS A 24 -224.646 81.580 56.216 1.00 0.00 C ATOM 357 C LYS A 24 -224.143 81.642 57.656 1.00 0.00 C ATOM 358 O LYS A 24 -223.008 82.043 57.914 1.00 0.00 O ATOM 359 CB LYS A 24 -223.542 81.105 55.272 1.00 0.00 C ATOM 360 CG LYS A 24 -223.458 79.592 55.142 1.00 0.00 C ATOM 361 CD LYS A 24 -222.172 79.178 54.436 1.00 0.00 C ATOM 362 CE LYS A 24 -222.059 77.669 54.289 1.00 0.00 C ATOM 363 NZ LYS A 24 -220.800 77.278 53.601 1.00 0.00 N ATOM 0 H LYS A 24 -224.429 83.476 55.357 1.00 0.00 H new ATOM 0 HA LYS A 24 -225.462 80.862 56.135 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -223.709 81.537 54.285 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -222.584 81.484 55.628 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -223.498 79.135 56.131 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -224.319 79.222 54.585 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -222.135 79.641 53.450 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -221.315 79.552 54.996 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -222.096 77.203 55.274 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -222.913 77.293 53.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -220.757 76.242 53.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -220.777 77.702 52.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -219.985 77.616 54.151 1.00 0.00 H new ATOM 377 N ALA A 25 -225.007 81.271 58.582 1.00 0.00 N ATOM 378 CA ALA A 25 -224.737 81.412 59.998 1.00 0.00 C ATOM 379 C ALA A 25 -224.470 80.055 60.592 1.00 0.00 C ATOM 380 O ALA A 25 -224.821 79.047 60.010 1.00 0.00 O ATOM 381 CB ALA A 25 -225.917 82.094 60.677 1.00 0.00 C ATOM 0 H ALA A 25 -225.918 80.863 58.372 1.00 0.00 H new ATOM 0 HA ALA A 25 -223.854 82.032 60.152 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -225.712 82.199 61.742 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -226.070 83.080 60.238 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -226.815 81.492 60.538 1.00 0.00 H new ATOM 387 N PRO A 26 -223.860 80.005 61.765 1.00 0.00 N ATOM 388 CA PRO A 26 -223.402 78.754 62.333 1.00 0.00 C ATOM 389 C PRO A 26 -224.550 77.824 62.667 1.00 0.00 C ATOM 390 O PRO A 26 -225.618 78.271 63.061 1.00 0.00 O ATOM 391 CB PRO A 26 -222.618 79.165 63.580 1.00 0.00 C ATOM 392 CG PRO A 26 -222.583 80.660 63.603 1.00 0.00 C ATOM 393 CD PRO A 26 -223.627 81.149 62.649 1.00 0.00 C ATOM 0 HA PRO A 26 -222.790 78.188 61.631 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -223.095 78.777 64.480 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -221.608 78.756 63.552 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -222.778 81.033 64.609 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -221.598 81.025 63.313 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -224.538 81.443 63.170 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -223.283 82.021 62.092 1.00 0.00 H new ATOM 401 N ARG A 27 -224.328 76.526 62.492 1.00 0.00 N ATOM 402 CA ARG A 27 -225.350 75.518 62.776 1.00 0.00 C ATOM 403 C ARG A 27 -225.761 75.581 64.254 1.00 0.00 C ATOM 404 O ARG A 27 -226.729 74.957 64.680 1.00 0.00 O ATOM 405 CB ARG A 27 -224.816 74.128 62.440 1.00 0.00 C ATOM 406 CG ARG A 27 -224.528 73.950 60.964 1.00 0.00 C ATOM 407 CD ARG A 27 -224.026 72.547 60.654 1.00 0.00 C ATOM 408 NE ARG A 27 -224.938 71.504 61.139 1.00 0.00 N ATOM 409 CZ ARG A 27 -225.356 70.470 60.410 1.00 0.00 C ATOM 410 NH1 ARG A 27 -224.970 70.330 59.151 1.00 0.00 N ATOM 411 NH2 ARG A 27 -226.158 69.561 60.947 1.00 0.00 N ATOM 0 H ARG A 27 -223.445 76.143 62.153 1.00 0.00 H new ATOM 0 HA ARG A 27 -226.226 75.721 62.160 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -223.903 73.948 63.008 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -225.542 73.379 62.757 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -225.433 74.148 60.390 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -223.784 74.681 60.648 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -223.897 72.440 59.577 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -223.045 72.407 61.108 1.00 0.00 H new ATOM 0 HE ARG A 27 -225.275 71.576 62.099 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -224.346 71.018 58.729 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -225.297 69.534 58.603 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -226.455 69.653 61.918 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -226.478 68.770 60.389 1.00 0.00 H new ATOM 425 N VAL A 28 -224.992 76.327 65.032 1.00 0.00 N ATOM 426 CA VAL A 28 -225.279 76.536 66.437 1.00 0.00 C ATOM 427 C VAL A 28 -225.867 77.924 66.687 1.00 0.00 C ATOM 428 O VAL A 28 -226.229 78.246 67.818 1.00 0.00 O ATOM 429 CB VAL A 28 -224.015 76.359 67.307 1.00 0.00 C ATOM 430 CG1 VAL A 28 -223.464 74.951 67.163 1.00 0.00 C ATOM 431 CG2 VAL A 28 -222.950 77.387 66.942 1.00 0.00 C ATOM 0 H VAL A 28 -224.152 76.803 64.704 1.00 0.00 H new ATOM 0 HA VAL A 28 -226.013 75.781 66.719 1.00 0.00 H new ATOM 0 HB VAL A 28 -224.297 76.519 68.348 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -222.574 74.844 67.783 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -224.217 74.231 67.482 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -223.205 74.767 66.120 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -222.071 77.239 67.570 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -222.672 77.267 65.895 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -223.344 78.391 67.100 1.00 0.00 H new ATOM 441 N SER A 29 -225.947 78.756 65.643 1.00 0.00 N ATOM 442 CA SER A 29 -226.534 80.087 65.795 1.00 0.00 C ATOM 443 C SER A 29 -227.964 79.991 66.299 1.00 0.00 C ATOM 444 O SER A 29 -228.800 79.282 65.734 1.00 0.00 O ATOM 445 CB SER A 29 -226.486 80.879 64.482 1.00 0.00 C ATOM 446 OG SER A 29 -227.250 80.260 63.465 1.00 0.00 O ATOM 0 H SER A 29 -225.619 78.536 64.703 1.00 0.00 H new ATOM 0 HA SER A 29 -225.937 80.623 66.532 1.00 0.00 H new ATOM 0 HB2 SER A 29 -226.859 81.889 64.653 1.00 0.00 H new ATOM 0 HB3 SER A 29 -225.451 80.973 64.152 1.00 0.00 H new ATOM 0 HG SER A 29 -226.664 79.711 62.903 1.00 0.00 H new ATOM 452 N THR A 30 -228.222 80.665 67.399 1.00 0.00 N ATOM 453 CA THR A 30 -229.564 80.788 67.909 1.00 0.00 C ATOM 454 C THR A 30 -230.072 82.191 67.646 1.00 0.00 C ATOM 455 O THR A 30 -229.342 83.009 67.085 1.00 0.00 O ATOM 456 CB THR A 30 -229.641 80.402 69.400 1.00 0.00 C ATOM 457 OG1 THR A 30 -230.928 80.711 69.951 1.00 0.00 O ATOM 458 CG2 THR A 30 -228.554 81.081 70.215 1.00 0.00 C ATOM 0 H THR A 30 -227.512 81.138 67.958 1.00 0.00 H new ATOM 0 HA THR A 30 -230.214 80.086 67.386 1.00 0.00 H new ATOM 0 HB THR A 30 -229.485 79.325 69.454 1.00 0.00 H new ATOM 0 HG1 THR A 30 -230.884 81.569 70.423 1.00 0.00 H new ATOM 0 HG21 THR A 30 -228.643 80.783 71.260 1.00 0.00 H new ATOM 0 HG22 THR A 30 -227.576 80.785 69.835 1.00 0.00 H new ATOM 0 HG23 THR A 30 -228.662 82.163 70.136 1.00 0.00 H new ATOM 466 N ALA A 31 -231.316 82.454 68.019 1.00 0.00 N ATOM 467 CA ALA A 31 -231.984 83.696 67.667 1.00 0.00 C ATOM 468 C ALA A 31 -231.119 84.897 67.941 1.00 0.00 C ATOM 469 O ALA A 31 -230.901 85.684 67.052 1.00 0.00 O ATOM 470 CB ALA A 31 -233.318 83.804 68.393 1.00 0.00 C ATOM 0 H ALA A 31 -231.888 81.815 68.572 1.00 0.00 H new ATOM 0 HA ALA A 31 -232.172 83.679 66.594 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -233.806 84.739 68.119 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -233.955 82.966 68.111 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -233.149 83.784 69.470 1.00 0.00 H new ATOM 476 N GLN A 32 -230.563 84.998 69.125 1.00 0.00 N ATOM 477 CA GLN A 32 -229.783 86.174 69.470 1.00 0.00 C ATOM 478 C GLN A 32 -228.440 86.205 68.718 1.00 0.00 C ATOM 479 O GLN A 32 -227.903 87.281 68.456 1.00 0.00 O ATOM 480 CB GLN A 32 -229.630 86.284 70.995 1.00 0.00 C ATOM 481 CG GLN A 32 -228.682 85.275 71.627 1.00 0.00 C ATOM 482 CD GLN A 32 -227.234 85.736 71.622 1.00 0.00 C ATOM 483 OE1 GLN A 32 -227.015 87.034 71.783 1.00 0.00 O flip ATOM 484 NE2 GLN A 32 -226.316 84.928 71.506 1.00 0.00 N flip ATOM 0 H GLN A 32 -230.631 84.294 69.860 1.00 0.00 H new ATOM 0 HA GLN A 32 -230.321 87.062 69.140 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -229.281 87.288 71.237 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -230.613 86.170 71.452 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -228.994 85.086 72.654 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -228.758 84.329 71.092 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -226.522 83.936 71.384 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -225.348 85.249 71.532 1.00 0.00 H new ATOM 493 N ASP A 33 -227.904 85.035 68.352 1.00 0.00 N ATOM 494 CA ASP A 33 -226.648 84.985 67.595 1.00 0.00 C ATOM 495 C ASP A 33 -226.892 85.503 66.192 1.00 0.00 C ATOM 496 O ASP A 33 -226.180 86.368 65.686 1.00 0.00 O ATOM 497 CB ASP A 33 -226.095 83.559 67.507 1.00 0.00 C ATOM 498 CG ASP A 33 -225.227 83.178 68.685 1.00 0.00 C ATOM 499 OD1 ASP A 33 -224.040 83.571 68.707 1.00 0.00 O ATOM 500 OD2 ASP A 33 -225.713 82.458 69.579 1.00 0.00 O ATOM 0 H ASP A 33 -228.312 84.124 68.563 1.00 0.00 H new ATOM 0 HA ASP A 33 -225.917 85.603 68.116 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -226.927 82.858 67.436 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -225.515 83.458 66.590 1.00 0.00 H new ATOM 505 N VAL A 34 -227.935 84.964 65.587 1.00 0.00 N ATOM 506 CA VAL A 34 -228.359 85.345 64.256 1.00 0.00 C ATOM 507 C VAL A 34 -228.923 86.769 64.275 1.00 0.00 C ATOM 508 O VAL A 34 -228.865 87.488 63.277 1.00 0.00 O ATOM 509 CB VAL A 34 -229.367 84.317 63.708 1.00 0.00 C ATOM 510 CG1 VAL A 34 -230.773 84.571 64.204 1.00 0.00 C ATOM 511 CG2 VAL A 34 -229.294 84.264 62.202 1.00 0.00 C ATOM 0 H VAL A 34 -228.516 84.242 66.012 1.00 0.00 H new ATOM 0 HA VAL A 34 -227.503 85.346 63.581 1.00 0.00 H new ATOM 0 HB VAL A 34 -229.089 83.336 64.094 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -231.446 83.820 63.790 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -230.791 84.514 65.292 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -231.097 85.563 63.888 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -230.012 83.534 61.828 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -229.529 85.246 61.792 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -228.289 83.974 61.896 1.00 0.00 H new ATOM 521 N ILE A 35 -229.454 87.161 65.432 1.00 0.00 N ATOM 522 CA ILE A 35 -229.848 88.541 65.682 1.00 0.00 C ATOM 523 C ILE A 35 -228.645 89.462 65.465 1.00 0.00 C ATOM 524 O ILE A 35 -228.676 90.348 64.614 1.00 0.00 O ATOM 525 CB ILE A 35 -230.356 88.728 67.141 1.00 0.00 C ATOM 526 CG1 ILE A 35 -231.805 88.289 67.322 1.00 0.00 C ATOM 527 CG2 ILE A 35 -230.213 90.176 67.585 1.00 0.00 C ATOM 528 CD1 ILE A 35 -232.305 88.469 68.741 1.00 0.00 C ATOM 0 H ILE A 35 -229.621 86.532 66.217 1.00 0.00 H new ATOM 0 HA ILE A 35 -230.655 88.790 64.992 1.00 0.00 H new ATOM 0 HB ILE A 35 -229.731 88.087 67.763 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -232.439 88.860 66.644 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -231.899 87.240 67.040 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -230.575 90.280 68.608 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -229.164 90.469 67.540 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -230.798 90.818 66.926 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -233.342 88.139 68.806 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -231.692 87.876 69.421 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -232.241 89.521 69.019 1.00 0.00 H new ATOM 540 N GLN A 36 -227.570 89.202 66.208 1.00 0.00 N ATOM 541 CA GLN A 36 -226.373 90.036 66.161 1.00 0.00 C ATOM 542 C GLN A 36 -225.699 89.943 64.795 1.00 0.00 C ATOM 543 O GLN A 36 -225.084 90.903 64.333 1.00 0.00 O ATOM 544 CB GLN A 36 -225.391 89.638 67.270 1.00 0.00 C ATOM 545 CG GLN A 36 -224.128 90.487 67.297 1.00 0.00 C ATOM 546 CD GLN A 36 -223.218 90.147 68.460 1.00 0.00 C ATOM 547 OE1 GLN A 36 -222.361 89.269 68.358 1.00 0.00 O ATOM 548 NE2 GLN A 36 -223.384 90.852 69.565 1.00 0.00 N ATOM 0 H GLN A 36 -227.505 88.415 66.853 1.00 0.00 H new ATOM 0 HA GLN A 36 -226.677 91.070 66.323 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -225.893 89.717 68.234 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -225.113 88.592 67.140 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -223.583 90.350 66.363 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -224.404 91.540 67.353 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -224.106 91.571 69.608 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -222.790 90.677 70.375 1.00 0.00 H new ATOM 557 N GLN A 37 -225.801 88.783 64.159 1.00 0.00 N ATOM 558 CA GLN A 37 -225.297 88.600 62.827 1.00 0.00 C ATOM 559 C GLN A 37 -225.985 89.580 61.877 1.00 0.00 C ATOM 560 O GLN A 37 -225.338 90.257 61.073 1.00 0.00 O ATOM 561 CB GLN A 37 -225.552 87.161 62.400 1.00 0.00 C ATOM 562 CG GLN A 37 -224.872 86.825 61.112 1.00 0.00 C ATOM 563 CD GLN A 37 -223.380 86.641 61.279 1.00 0.00 C ATOM 564 OE1 GLN A 37 -222.908 86.223 62.337 1.00 0.00 O ATOM 565 NE2 GLN A 37 -222.629 86.955 60.242 1.00 0.00 N ATOM 0 H GLN A 37 -226.236 87.952 64.560 1.00 0.00 H new ATOM 0 HA GLN A 37 -224.225 88.795 62.799 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -225.203 86.485 63.180 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -226.625 87.000 62.295 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -225.305 85.912 60.703 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -225.059 87.618 60.388 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -223.062 87.298 59.384 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -221.615 86.855 60.297 1.00 0.00 H new ATOM 574 N THR A 38 -227.303 89.670 62.004 1.00 0.00 N ATOM 575 CA THR A 38 -228.085 90.620 61.233 1.00 0.00 C ATOM 576 C THR A 38 -227.707 92.049 61.622 1.00 0.00 C ATOM 577 O THR A 38 -227.593 92.921 60.765 1.00 0.00 O ATOM 578 CB THR A 38 -229.598 90.397 61.444 1.00 0.00 C ATOM 579 OG1 THR A 38 -229.914 89.014 61.231 1.00 0.00 O ATOM 580 CG2 THR A 38 -230.415 91.254 60.487 1.00 0.00 C ATOM 0 H THR A 38 -227.853 89.091 62.639 1.00 0.00 H new ATOM 0 HA THR A 38 -227.863 90.464 60.177 1.00 0.00 H new ATOM 0 HB THR A 38 -229.847 90.684 62.466 1.00 0.00 H new ATOM 0 HG1 THR A 38 -229.608 88.487 61.998 1.00 0.00 H new ATOM 0 HG21 THR A 38 -231.477 91.078 60.657 1.00 0.00 H new ATOM 0 HG22 THR A 38 -230.190 92.307 60.659 1.00 0.00 H new ATOM 0 HG23 THR A 38 -230.164 90.992 59.459 1.00 0.00 H new ATOM 588 N LEU A 39 -227.487 92.269 62.921 1.00 0.00 N ATOM 589 CA LEU A 39 -226.982 93.548 63.428 1.00 0.00 C ATOM 590 C LEU A 39 -225.733 93.983 62.659 1.00 0.00 C ATOM 591 O LEU A 39 -225.591 95.146 62.285 1.00 0.00 O ATOM 592 CB LEU A 39 -226.630 93.426 64.918 1.00 0.00 C ATOM 593 CG LEU A 39 -227.694 93.886 65.921 1.00 0.00 C ATOM 594 CD1 LEU A 39 -228.999 93.129 65.756 1.00 0.00 C ATOM 595 CD2 LEU A 39 -227.176 93.731 67.343 1.00 0.00 C ATOM 0 H LEU A 39 -227.652 91.571 63.646 1.00 0.00 H new ATOM 0 HA LEU A 39 -227.765 94.294 63.292 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -226.395 92.382 65.127 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -225.721 94.000 65.100 1.00 0.00 H new ATOM 0 HG LEU A 39 -227.898 94.938 65.721 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -229.723 93.488 66.487 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -229.388 93.290 64.751 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -228.824 92.064 65.911 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -227.940 94.061 68.047 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -226.937 92.684 67.531 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -226.279 94.337 67.471 1.00 0.00 H new ATOM 607 N CYS A 40 -224.837 93.030 62.429 1.00 0.00 N ATOM 608 CA CYS A 40 -223.577 93.290 61.745 1.00 0.00 C ATOM 609 C CYS A 40 -223.799 93.751 60.305 1.00 0.00 C ATOM 610 O CYS A 40 -223.156 94.694 59.844 1.00 0.00 O ATOM 611 CB CYS A 40 -222.699 92.037 61.766 1.00 0.00 C ATOM 612 SG CYS A 40 -222.294 91.454 63.428 1.00 0.00 S ATOM 0 H CYS A 40 -224.964 92.058 62.711 1.00 0.00 H new ATOM 0 HA CYS A 40 -223.072 94.096 62.277 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -223.209 91.239 61.226 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -221.774 92.245 61.229 1.00 0.00 H new ATOM 0 HG CYS A 40 -223.364 90.982 63.995 1.00 0.00 H new ATOM 618 N LYS A 41 -224.706 93.090 59.595 1.00 0.00 N ATOM 619 CA LYS A 41 -224.989 93.454 58.207 1.00 0.00 C ATOM 620 C LYS A 41 -225.909 94.666 58.113 1.00 0.00 C ATOM 621 O LYS A 41 -226.017 95.290 57.059 1.00 0.00 O ATOM 622 CB LYS A 41 -225.594 92.281 57.437 1.00 0.00 C ATOM 623 CG LYS A 41 -224.563 91.274 56.965 1.00 0.00 C ATOM 624 CD LYS A 41 -225.163 90.286 55.981 1.00 0.00 C ATOM 625 CE LYS A 41 -224.087 89.469 55.284 1.00 0.00 C ATOM 626 NZ LYS A 41 -223.156 90.328 54.506 1.00 0.00 N ATOM 0 H LYS A 41 -225.254 92.307 59.951 1.00 0.00 H new ATOM 0 HA LYS A 41 -224.034 93.717 57.752 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -226.321 91.775 58.073 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -226.138 92.665 56.574 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -223.730 91.797 56.495 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -224.159 90.736 57.822 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -225.846 89.618 56.506 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -225.752 90.824 55.238 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -223.524 88.902 56.026 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -224.556 88.745 54.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -223.045 89.941 53.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -223.541 91.292 54.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -222.230 90.353 54.978 1.00 0.00 H new ATOM 640 N ALA A 42 -226.574 94.998 59.207 1.00 0.00 N ATOM 641 CA ALA A 42 -227.470 96.147 59.237 1.00 0.00 C ATOM 642 C ALA A 42 -226.772 97.371 59.813 1.00 0.00 C ATOM 643 O ALA A 42 -227.417 98.385 60.096 1.00 0.00 O ATOM 644 CB ALA A 42 -228.724 95.819 60.031 1.00 0.00 C ATOM 0 H ALA A 42 -226.512 94.489 60.088 1.00 0.00 H new ATOM 0 HA ALA A 42 -227.759 96.380 58.212 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -229.383 96.687 60.045 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -229.240 94.979 59.566 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -228.449 95.556 61.053 1.00 0.00 H new ATOM 852 N ASP A 56 -232.847 92.638 73.513 1.00 0.00 N ATOM 853 CA ASP A 56 -234.150 93.295 73.402 1.00 0.00 C ATOM 854 C ASP A 56 -234.852 92.898 72.109 1.00 0.00 C ATOM 855 O ASP A 56 -235.947 93.376 71.806 1.00 0.00 O ATOM 856 CB ASP A 56 -233.983 94.820 73.454 1.00 0.00 C ATOM 857 CG ASP A 56 -233.495 95.323 74.801 1.00 0.00 C ATOM 858 OD1 ASP A 56 -232.305 95.124 75.129 1.00 0.00 O ATOM 859 OD2 ASP A 56 -234.298 95.923 75.540 1.00 0.00 O ATOM 0 HA ASP A 56 -234.763 92.972 74.243 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -233.279 95.128 72.681 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -234.938 95.292 73.222 1.00 0.00 H new ATOM 864 N TYR A 57 -234.225 92.016 71.355 1.00 0.00 N ATOM 865 CA TYR A 57 -234.798 91.539 70.110 1.00 0.00 C ATOM 866 C TYR A 57 -235.344 90.131 70.289 1.00 0.00 C ATOM 867 O TYR A 57 -235.191 89.513 71.345 1.00 0.00 O ATOM 868 CB TYR A 57 -233.742 91.501 68.998 1.00 0.00 C ATOM 869 CG TYR A 57 -233.248 92.839 68.523 1.00 0.00 C ATOM 870 CD1 TYR A 57 -232.498 93.658 69.348 1.00 0.00 C ATOM 871 CD2 TYR A 57 -233.519 93.272 67.234 1.00 0.00 C ATOM 872 CE1 TYR A 57 -232.035 94.875 68.905 1.00 0.00 C ATOM 873 CE2 TYR A 57 -233.058 94.487 66.780 1.00 0.00 C ATOM 874 CZ TYR A 57 -232.317 95.288 67.618 1.00 0.00 C ATOM 875 OH TYR A 57 -231.864 96.509 67.178 1.00 0.00 O ATOM 0 H TYR A 57 -233.316 91.614 71.583 1.00 0.00 H new ATOM 0 HA TYR A 57 -235.598 92.226 69.833 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -232.888 90.924 69.353 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -234.158 90.964 68.145 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -232.273 93.337 70.354 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -234.102 92.645 66.575 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -231.453 95.505 69.561 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -233.277 94.809 65.773 1.00 0.00 H new ATOM 0 HH TYR A 57 -232.147 96.648 66.250 1.00 0.00 H new ATOM 885 N VAL A 58 -235.972 89.645 69.241 1.00 0.00 N ATOM 886 CA VAL A 58 -236.378 88.257 69.125 1.00 0.00 C ATOM 887 C VAL A 58 -236.226 87.834 67.673 1.00 0.00 C ATOM 888 O VAL A 58 -235.821 88.634 66.827 1.00 0.00 O ATOM 889 CB VAL A 58 -237.836 87.998 69.573 1.00 0.00 C ATOM 890 CG1 VAL A 58 -237.893 87.554 71.023 1.00 0.00 C ATOM 891 CG2 VAL A 58 -238.689 89.241 69.401 1.00 0.00 C ATOM 0 H VAL A 58 -236.220 90.211 68.430 1.00 0.00 H new ATOM 0 HA VAL A 58 -235.739 87.677 69.790 1.00 0.00 H new ATOM 0 HB VAL A 58 -238.229 87.203 68.940 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -238.930 87.380 71.310 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -237.323 86.633 71.144 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -237.467 88.330 71.658 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -239.709 89.030 69.724 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -238.278 90.051 70.004 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -238.694 89.536 68.352 1.00 0.00 H new ATOM 901 N LEU A 59 -236.551 86.599 67.384 1.00 0.00 N ATOM 902 CA LEU A 59 -236.384 86.074 66.048 1.00 0.00 C ATOM 903 C LEU A 59 -237.538 85.114 65.761 1.00 0.00 C ATOM 904 O LEU A 59 -237.947 84.355 66.633 1.00 0.00 O ATOM 905 CB LEU A 59 -235.005 85.395 65.963 1.00 0.00 C ATOM 906 CG LEU A 59 -234.425 85.126 64.566 1.00 0.00 C ATOM 907 CD1 LEU A 59 -235.250 84.107 63.808 1.00 0.00 C ATOM 908 CD2 LEU A 59 -234.310 86.415 63.773 1.00 0.00 C ATOM 0 H LEU A 59 -236.934 85.935 68.057 1.00 0.00 H new ATOM 0 HA LEU A 59 -236.412 86.858 65.291 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -234.292 86.014 66.508 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -235.067 84.442 66.489 1.00 0.00 H new ATOM 0 HG LEU A 59 -233.426 84.711 64.700 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -234.810 83.942 62.824 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -235.266 83.168 64.361 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -236.269 84.477 63.692 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -233.897 86.200 62.787 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -235.297 86.864 63.663 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -233.653 87.108 64.298 1.00 0.00 H new ATOM 920 N LEU A 60 -238.094 85.192 64.566 1.00 0.00 N ATOM 921 CA LEU A 60 -239.241 84.373 64.197 1.00 0.00 C ATOM 922 C LEU A 60 -238.806 83.179 63.358 1.00 0.00 C ATOM 923 O LEU A 60 -238.117 83.343 62.355 1.00 0.00 O ATOM 924 CB LEU A 60 -240.261 85.190 63.383 1.00 0.00 C ATOM 925 CG LEU A 60 -241.089 86.245 64.147 1.00 0.00 C ATOM 926 CD1 LEU A 60 -242.080 85.575 65.072 1.00 0.00 C ATOM 927 CD2 LEU A 60 -240.207 87.215 64.921 1.00 0.00 C ATOM 0 H LEU A 60 -237.770 85.817 63.828 1.00 0.00 H new ATOM 0 HA LEU A 60 -239.701 84.027 65.123 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -239.725 85.697 62.581 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -240.954 84.493 62.912 1.00 0.00 H new ATOM 0 HG LEU A 60 -241.636 86.826 63.405 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -242.654 86.335 65.602 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -242.756 84.950 64.489 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -241.545 84.957 65.793 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -240.833 87.939 65.443 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -239.609 86.663 65.646 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -239.547 87.738 64.229 1.00 0.00 H new ATOM 939 N GLU A 61 -239.205 81.986 63.767 1.00 0.00 N ATOM 940 CA GLU A 61 -239.047 80.813 62.931 1.00 0.00 C ATOM 941 C GLU A 61 -240.333 80.611 62.128 1.00 0.00 C ATOM 942 O GLU A 61 -241.261 79.908 62.531 1.00 0.00 O ATOM 943 CB GLU A 61 -238.678 79.560 63.762 1.00 0.00 C ATOM 944 CG GLU A 61 -239.808 78.989 64.622 1.00 0.00 C ATOM 945 CD GLU A 61 -239.413 77.761 65.421 1.00 0.00 C ATOM 946 OE1 GLU A 61 -239.110 76.724 64.807 1.00 0.00 O ATOM 947 OE2 GLU A 61 -239.440 77.817 66.672 1.00 0.00 O ATOM 0 H GLU A 61 -239.640 81.807 64.672 1.00 0.00 H new ATOM 0 HA GLU A 61 -238.216 80.967 62.243 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -238.333 78.782 63.081 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -237.839 79.810 64.412 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -240.154 79.761 65.309 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -240.649 78.736 63.977 1.00 0.00 H new ATOM 954 N GLU A 62 -240.427 81.305 61.017 1.00 0.00 N ATOM 955 CA GLU A 62 -241.547 81.141 60.150 1.00 0.00 C ATOM 956 C GLU A 62 -241.300 79.989 59.199 1.00 0.00 C ATOM 957 O GLU A 62 -240.313 79.965 58.481 1.00 0.00 O ATOM 958 CB GLU A 62 -241.731 82.418 59.352 1.00 0.00 C ATOM 959 CG GLU A 62 -243.089 82.555 58.739 1.00 0.00 C ATOM 960 CD GLU A 62 -243.094 83.481 57.538 1.00 0.00 C ATOM 961 OE1 GLU A 62 -243.233 84.708 57.721 1.00 0.00 O ATOM 962 OE2 GLU A 62 -242.956 82.980 56.400 1.00 0.00 O ATOM 0 H GLU A 62 -239.736 81.986 60.702 1.00 0.00 H new ATOM 0 HA GLU A 62 -242.439 80.930 60.739 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -241.549 83.272 60.004 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -240.981 82.454 58.562 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -243.448 81.571 58.437 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -243.785 82.933 59.488 1.00 0.00 H new ATOM 969 N VAL A 63 -242.195 79.029 59.211 1.00 0.00 N ATOM 970 CA VAL A 63 -242.156 77.944 58.247 1.00 0.00 C ATOM 971 C VAL A 63 -243.380 78.036 57.336 1.00 0.00 C ATOM 972 O VAL A 63 -244.522 77.935 57.793 1.00 0.00 O ATOM 973 CB VAL A 63 -242.087 76.555 58.939 1.00 0.00 C ATOM 974 CG1 VAL A 63 -242.870 76.567 60.239 1.00 0.00 C ATOM 975 CG2 VAL A 63 -242.592 75.476 58.003 1.00 0.00 C ATOM 0 H VAL A 63 -242.964 78.974 59.879 1.00 0.00 H new ATOM 0 HA VAL A 63 -241.248 78.044 57.652 1.00 0.00 H new ATOM 0 HB VAL A 63 -241.047 76.334 59.180 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -242.810 75.585 60.709 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -242.450 77.317 60.910 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -243.913 76.807 60.033 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -242.538 74.508 58.501 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -243.626 75.686 57.730 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -241.976 75.457 57.104 1.00 0.00 H new ATOM 985 N VAL A 64 -243.140 78.265 56.053 1.00 0.00 N ATOM 986 CA VAL A 64 -244.223 78.409 55.091 1.00 0.00 C ATOM 987 C VAL A 64 -244.902 77.073 54.847 1.00 0.00 C ATOM 988 O VAL A 64 -244.344 76.179 54.211 1.00 0.00 O ATOM 989 CB VAL A 64 -243.729 78.998 53.751 1.00 0.00 C ATOM 990 CG1 VAL A 64 -244.871 79.101 52.748 1.00 0.00 C ATOM 991 CG2 VAL A 64 -243.093 80.363 53.969 1.00 0.00 C ATOM 0 H VAL A 64 -242.206 78.355 55.654 1.00 0.00 H new ATOM 0 HA VAL A 64 -244.943 79.106 55.520 1.00 0.00 H new ATOM 0 HB VAL A 64 -242.976 78.323 53.344 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -244.497 79.518 51.813 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -245.284 78.109 52.563 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -245.650 79.749 53.149 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -242.751 80.762 53.014 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -243.827 81.041 54.404 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -242.244 80.265 54.646 1.00 0.00 H new ATOM 1199 N SER A 77 -248.065 81.039 55.892 1.00 0.00 N ATOM 1200 CA SER A 77 -246.831 80.867 56.638 1.00 0.00 C ATOM 1201 C SER A 77 -247.119 80.665 58.118 1.00 0.00 C ATOM 1202 O SER A 77 -247.783 81.491 58.749 1.00 0.00 O ATOM 1203 CB SER A 77 -245.948 82.099 56.451 1.00 0.00 C ATOM 1204 OG SER A 77 -245.654 82.323 55.081 1.00 0.00 O ATOM 0 HA SER A 77 -246.317 79.983 56.262 1.00 0.00 H new ATOM 0 HB2 SER A 77 -246.449 82.974 56.865 1.00 0.00 H new ATOM 0 HB3 SER A 77 -245.020 81.971 57.008 1.00 0.00 H new ATOM 0 HG SER A 77 -246.430 82.077 54.535 1.00 0.00 H new ATOM 1210 N SER A 78 -246.622 79.569 58.672 1.00 0.00 N ATOM 1211 CA SER A 78 -246.747 79.325 60.093 1.00 0.00 C ATOM 1212 C SER A 78 -245.572 79.985 60.801 1.00 0.00 C ATOM 1213 O SER A 78 -244.465 79.441 60.834 1.00 0.00 O ATOM 1214 CB SER A 78 -246.783 77.817 60.378 1.00 0.00 C ATOM 1215 OG SER A 78 -247.115 77.555 61.732 1.00 0.00 O ATOM 0 H SER A 78 -246.130 78.839 58.157 1.00 0.00 H new ATOM 0 HA SER A 78 -247.680 79.750 60.463 1.00 0.00 H new ATOM 0 HB2 SER A 78 -247.512 77.339 59.724 1.00 0.00 H new ATOM 0 HB3 SER A 78 -245.812 77.378 60.148 1.00 0.00 H new ATOM 0 HG SER A 78 -247.132 76.587 61.883 1.00 0.00 H new ATOM 1221 N GLN A 79 -245.809 81.168 61.344 1.00 0.00 N ATOM 1222 CA GLN A 79 -244.743 81.956 61.935 1.00 0.00 C ATOM 1223 C GLN A 79 -244.727 81.749 63.448 1.00 0.00 C ATOM 1224 O GLN A 79 -245.767 81.821 64.105 1.00 0.00 O ATOM 1225 CB GLN A 79 -244.944 83.434 61.591 1.00 0.00 C ATOM 1226 CG GLN A 79 -243.701 84.280 61.794 1.00 0.00 C ATOM 1227 CD GLN A 79 -243.920 85.744 61.451 1.00 0.00 C ATOM 1228 OE1 GLN A 79 -245.157 86.204 61.556 1.00 0.00 O flip ATOM 1229 NE2 GLN A 79 -242.986 86.453 61.075 1.00 0.00 N flip ATOM 0 H GLN A 79 -246.731 81.603 61.387 1.00 0.00 H new ATOM 0 HA GLN A 79 -243.783 81.634 61.532 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -245.264 83.516 60.552 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -245.750 83.835 62.205 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -243.378 84.200 62.832 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -242.894 83.884 61.178 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -242.046 86.064 61.006 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -243.153 87.430 60.832 1.00 0.00 H new ATOM 1238 N ARG A 80 -243.553 81.482 63.993 1.00 0.00 N ATOM 1239 CA ARG A 80 -243.403 81.217 65.408 1.00 0.00 C ATOM 1240 C ARG A 80 -242.313 82.124 65.972 1.00 0.00 C ATOM 1241 O ARG A 80 -241.391 82.472 65.257 1.00 0.00 O ATOM 1242 CB ARG A 80 -243.042 79.739 65.570 1.00 0.00 C ATOM 1243 CG ARG A 80 -243.179 79.221 66.983 1.00 0.00 C ATOM 1244 CD ARG A 80 -241.888 79.383 67.769 1.00 0.00 C ATOM 1245 NE ARG A 80 -242.049 79.032 69.175 1.00 0.00 N ATOM 1246 CZ ARG A 80 -241.110 78.434 69.904 1.00 0.00 C ATOM 1247 NH1 ARG A 80 -239.958 78.068 69.347 1.00 0.00 N ATOM 1248 NH2 ARG A 80 -241.328 78.190 71.190 1.00 0.00 N ATOM 0 H ARG A 80 -242.680 81.443 63.466 1.00 0.00 H new ATOM 0 HA ARG A 80 -244.324 81.422 65.954 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -243.680 79.146 64.914 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -242.015 79.588 65.237 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -243.983 79.755 67.490 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -243.461 78.168 66.959 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -241.114 78.755 67.326 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -241.545 80.415 67.691 1.00 0.00 H new ATOM 0 HE ARG A 80 -242.935 79.259 69.627 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -239.791 78.246 68.357 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -239.242 77.610 69.911 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -242.214 78.461 71.617 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -240.610 77.732 71.751 1.00 0.00 H new ATOM 1262 N VAL A 81 -242.410 82.528 67.233 1.00 0.00 N ATOM 1263 CA VAL A 81 -241.411 83.432 67.794 1.00 0.00 C ATOM 1264 C VAL A 81 -240.503 82.700 68.782 1.00 0.00 C ATOM 1265 O VAL A 81 -240.973 81.957 69.643 1.00 0.00 O ATOM 1266 CB VAL A 81 -242.043 84.645 68.504 1.00 0.00 C ATOM 1267 CG1 VAL A 81 -241.223 85.906 68.234 1.00 0.00 C ATOM 1268 CG2 VAL A 81 -243.497 84.840 68.090 1.00 0.00 C ATOM 0 H VAL A 81 -243.153 82.252 67.875 1.00 0.00 H new ATOM 0 HA VAL A 81 -240.826 83.796 66.949 1.00 0.00 H new ATOM 0 HB VAL A 81 -242.035 84.449 69.576 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -241.682 86.754 68.742 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -240.208 85.766 68.606 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -241.194 86.098 67.161 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -243.911 85.704 68.610 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -243.550 85.005 67.014 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -244.072 83.951 68.350 1.00 0.00 H new ATOM 1278 N LEU A 82 -239.205 82.926 68.647 1.00 0.00 N ATOM 1279 CA LEU A 82 -238.197 82.246 69.458 1.00 0.00 C ATOM 1280 C LEU A 82 -237.838 83.058 70.692 1.00 0.00 C ATOM 1281 O LEU A 82 -238.167 84.239 70.797 1.00 0.00 O ATOM 1282 CB LEU A 82 -236.919 82.064 68.644 1.00 0.00 C ATOM 1283 CG LEU A 82 -237.103 81.468 67.257 1.00 0.00 C ATOM 1284 CD1 LEU A 82 -235.933 81.850 66.383 1.00 0.00 C ATOM 1285 CD2 LEU A 82 -237.249 79.959 67.330 1.00 0.00 C ATOM 0 H LEU A 82 -238.817 83.586 67.973 1.00 0.00 H new ATOM 0 HA LEU A 82 -238.616 81.286 69.760 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -236.434 83.035 68.541 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -236.239 81.425 69.207 1.00 0.00 H new ATOM 0 HG LEU A 82 -238.018 81.868 66.821 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -236.066 81.422 65.389 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -235.876 82.936 66.306 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -235.011 81.468 66.822 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -237.379 79.557 66.325 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -236.355 79.528 67.780 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -238.118 79.707 67.937 1.00 0.00 H new ATOM 1297 N LEU A 83 -237.152 82.407 71.614 1.00 0.00 N ATOM 1298 CA LEU A 83 -236.471 83.095 72.692 1.00 0.00 C ATOM 1299 C LEU A 83 -235.022 83.292 72.272 1.00 0.00 C ATOM 1300 O LEU A 83 -234.642 82.916 71.161 1.00 0.00 O ATOM 1301 CB LEU A 83 -236.535 82.301 74.006 1.00 0.00 C ATOM 1302 CG LEU A 83 -237.916 82.202 74.663 1.00 0.00 C ATOM 1303 CD1 LEU A 83 -238.819 81.242 73.905 1.00 0.00 C ATOM 1304 CD2 LEU A 83 -237.779 81.770 76.115 1.00 0.00 C ATOM 0 H LEU A 83 -237.052 81.392 71.636 1.00 0.00 H new ATOM 0 HA LEU A 83 -236.960 84.052 72.875 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -236.172 81.291 73.816 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -235.848 82.758 74.718 1.00 0.00 H new ATOM 0 HG LEU A 83 -238.377 83.189 74.631 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -239.791 81.193 74.395 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -238.946 81.594 72.881 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -238.368 80.250 73.894 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -238.767 81.704 76.570 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -237.293 80.796 76.160 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -237.179 82.501 76.657 1.00 0.00 H new ATOM 1316 N ASP A 84 -234.213 83.849 73.155 1.00 0.00 N ATOM 1317 CA ASP A 84 -232.809 84.111 72.850 1.00 0.00 C ATOM 1318 C ASP A 84 -232.053 82.827 72.501 1.00 0.00 C ATOM 1319 O ASP A 84 -231.148 82.846 71.663 1.00 0.00 O ATOM 1320 CB ASP A 84 -232.130 84.827 74.022 1.00 0.00 C ATOM 1321 CG ASP A 84 -232.247 84.072 75.330 1.00 0.00 C ATOM 1322 OD1 ASP A 84 -233.325 84.131 75.960 1.00 0.00 O ATOM 1323 OD2 ASP A 84 -231.261 83.430 75.741 1.00 0.00 O ATOM 0 H ASP A 84 -234.500 84.131 74.092 1.00 0.00 H new ATOM 0 HA ASP A 84 -232.781 84.759 71.974 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -231.076 84.974 73.788 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -232.572 85.816 74.140 1.00 0.00 H new ATOM 1328 N GLN A 85 -232.439 81.711 73.110 1.00 0.00 N ATOM 1329 CA GLN A 85 -231.738 80.462 72.906 1.00 0.00 C ATOM 1330 C GLN A 85 -232.659 79.332 72.443 1.00 0.00 C ATOM 1331 O GLN A 85 -232.484 78.184 72.842 1.00 0.00 O ATOM 1332 CB GLN A 85 -231.025 80.074 74.193 1.00 0.00 C ATOM 1333 CG GLN A 85 -231.866 80.250 75.447 1.00 0.00 C ATOM 1334 CD GLN A 85 -231.040 80.147 76.711 1.00 0.00 C ATOM 1335 OE1 GLN A 85 -230.875 79.066 77.277 1.00 0.00 O ATOM 1336 NE2 GLN A 85 -230.515 81.274 77.161 1.00 0.00 N ATOM 0 H GLN A 85 -233.233 81.652 73.747 1.00 0.00 H new ATOM 0 HA GLN A 85 -231.014 80.615 72.105 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -230.712 79.032 74.122 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -230.120 80.673 74.289 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -232.361 81.221 75.417 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -232.650 79.493 75.465 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -230.677 82.148 76.660 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -229.948 81.270 78.009 1.00 0.00 H new ATOM 1345 N GLU A 86 -233.623 79.645 71.578 1.00 0.00 N ATOM 1346 CA GLU A 86 -234.428 78.600 70.953 1.00 0.00 C ATOM 1347 C GLU A 86 -233.639 77.880 69.861 1.00 0.00 C ATOM 1348 O GLU A 86 -234.058 76.822 69.388 1.00 0.00 O ATOM 1349 CB GLU A 86 -235.715 79.175 70.366 1.00 0.00 C ATOM 1350 CG GLU A 86 -236.877 79.194 71.342 1.00 0.00 C ATOM 1351 CD GLU A 86 -237.312 77.803 71.753 1.00 0.00 C ATOM 1352 OE1 GLU A 86 -238.070 77.160 70.991 1.00 0.00 O ATOM 1353 OE2 GLU A 86 -236.908 77.347 72.842 1.00 0.00 O ATOM 0 H GLU A 86 -233.862 80.596 71.299 1.00 0.00 H new ATOM 0 HA GLU A 86 -234.689 77.881 71.730 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -235.524 80.192 70.022 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -235.997 78.590 69.490 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -236.593 79.759 72.230 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -237.720 79.716 70.888 1.00 0.00 H new ATOM 1360 N CYS A 87 -232.498 78.462 69.477 1.00 0.00 N ATOM 1361 CA CYS A 87 -231.618 77.895 68.459 1.00 0.00 C ATOM 1362 C CYS A 87 -232.249 77.946 67.064 1.00 0.00 C ATOM 1363 O CYS A 87 -233.317 77.389 66.823 1.00 0.00 O ATOM 1364 CB CYS A 87 -231.222 76.474 68.844 1.00 0.00 C ATOM 1365 SG CYS A 87 -230.030 76.388 70.202 1.00 0.00 S ATOM 0 H CYS A 87 -232.161 79.342 69.867 1.00 0.00 H new ATOM 0 HA CYS A 87 -230.716 78.505 68.412 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -232.118 75.921 69.125 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -230.800 75.976 67.971 1.00 0.00 H new ATOM 0 HG CYS A 87 -229.439 75.230 70.188 1.00 0.00 H new ATOM 1371 N VAL A 88 -231.561 78.607 66.143 1.00 0.00 N ATOM 1372 CA VAL A 88 -232.085 78.855 64.810 1.00 0.00 C ATOM 1373 C VAL A 88 -232.016 77.593 63.979 1.00 0.00 C ATOM 1374 O VAL A 88 -232.940 77.272 63.240 1.00 0.00 O ATOM 1375 CB VAL A 88 -231.318 79.996 64.104 1.00 0.00 C ATOM 1376 CG1 VAL A 88 -231.760 80.166 62.661 1.00 0.00 C ATOM 1377 CG2 VAL A 88 -231.507 81.294 64.859 1.00 0.00 C ATOM 0 H VAL A 88 -230.627 78.985 66.300 1.00 0.00 H new ATOM 0 HA VAL A 88 -233.126 79.163 64.913 1.00 0.00 H new ATOM 0 HB VAL A 88 -230.261 79.728 64.098 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -231.197 80.978 62.201 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -231.577 79.242 62.113 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -232.824 80.401 62.632 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -230.963 82.092 64.353 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -232.567 81.544 64.894 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -231.127 81.183 65.875 1.00 0.00 H new ATOM 1387 N PHE A 89 -230.928 76.858 64.131 1.00 0.00 N ATOM 1388 CA PHE A 89 -230.770 75.613 63.387 1.00 0.00 C ATOM 1389 C PHE A 89 -231.707 74.563 63.969 1.00 0.00 C ATOM 1390 O PHE A 89 -232.306 73.771 63.240 1.00 0.00 O ATOM 1391 CB PHE A 89 -229.310 75.141 63.411 1.00 0.00 C ATOM 1392 CG PHE A 89 -229.078 73.818 62.731 1.00 0.00 C ATOM 1393 CD1 PHE A 89 -229.309 72.624 63.397 1.00 0.00 C ATOM 1394 CD2 PHE A 89 -228.630 73.771 61.420 1.00 0.00 C ATOM 1395 CE1 PHE A 89 -229.101 71.412 62.772 1.00 0.00 C ATOM 1396 CE2 PHE A 89 -228.420 72.560 60.788 1.00 0.00 C ATOM 1397 CZ PHE A 89 -228.659 71.381 61.463 1.00 0.00 C ATOM 0 H PHE A 89 -230.152 77.092 64.750 1.00 0.00 H new ATOM 0 HA PHE A 89 -231.032 75.778 62.342 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -228.688 75.897 62.932 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -228.981 75.067 64.447 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -229.657 72.643 64.419 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -228.443 74.691 60.886 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -229.283 70.490 63.304 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -228.069 72.537 59.767 1.00 0.00 H new ATOM 0 HZ PHE A 89 -228.501 70.434 60.969 1.00 0.00 H new ATOM 1407 N GLN A 90 -231.837 74.579 65.293 1.00 0.00 N ATOM 1408 CA GLN A 90 -232.808 73.740 65.980 1.00 0.00 C ATOM 1409 C GLN A 90 -234.219 74.036 65.480 1.00 0.00 C ATOM 1410 O GLN A 90 -234.984 73.122 65.172 1.00 0.00 O ATOM 1411 CB GLN A 90 -232.730 73.966 67.489 1.00 0.00 C ATOM 1412 CG GLN A 90 -231.732 73.069 68.198 1.00 0.00 C ATOM 1413 CD GLN A 90 -231.769 73.227 69.707 1.00 0.00 C ATOM 1414 OE1 GLN A 90 -232.940 73.543 70.243 1.00 0.00 O flip ATOM 1415 NE2 GLN A 90 -230.757 73.055 70.386 1.00 0.00 N flip ATOM 0 H GLN A 90 -231.278 75.167 65.911 1.00 0.00 H new ATOM 0 HA GLN A 90 -232.573 72.697 65.766 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -232.465 75.006 67.677 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -233.718 73.806 67.921 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -231.937 72.030 67.941 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -230.728 73.294 67.838 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -229.875 72.813 69.935 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -230.800 73.155 71.400 1.00 0.00 H new ATOM 1424 N ALA A 91 -234.546 75.323 65.393 1.00 0.00 N ATOM 1425 CA ALA A 91 -235.842 75.763 64.900 1.00 0.00 C ATOM 1426 C ALA A 91 -236.044 75.330 63.454 1.00 0.00 C ATOM 1427 O ALA A 91 -237.082 74.784 63.100 1.00 0.00 O ATOM 1428 CB ALA A 91 -235.963 77.275 65.026 1.00 0.00 C ATOM 0 H ALA A 91 -233.922 76.084 65.661 1.00 0.00 H new ATOM 0 HA ALA A 91 -236.620 75.297 65.505 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -236.937 77.594 64.654 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -235.862 77.562 66.073 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -235.177 77.753 64.441 1.00 0.00 H new ATOM 1434 N GLN A 92 -235.028 75.557 62.627 1.00 0.00 N ATOM 1435 CA GLN A 92 -235.083 75.197 61.221 1.00 0.00 C ATOM 1436 C GLN A 92 -235.284 73.695 61.044 1.00 0.00 C ATOM 1437 O GLN A 92 -235.834 73.242 60.042 1.00 0.00 O ATOM 1438 CB GLN A 92 -233.798 75.630 60.519 1.00 0.00 C ATOM 1439 CG GLN A 92 -234.008 75.882 59.050 1.00 0.00 C ATOM 1440 CD GLN A 92 -232.758 76.346 58.335 1.00 0.00 C ATOM 1441 OE1 GLN A 92 -232.498 77.540 58.234 1.00 0.00 O ATOM 1442 NE2 GLN A 92 -231.980 75.405 57.827 1.00 0.00 N ATOM 0 H GLN A 92 -234.151 75.993 62.913 1.00 0.00 H new ATOM 0 HA GLN A 92 -235.934 75.712 60.775 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -233.417 76.536 60.990 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -233.038 74.859 60.648 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -234.368 74.967 58.580 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -234.789 76.633 58.926 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -232.232 74.422 57.933 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -231.128 75.662 57.329 1.00 0.00 H new ATOM 1451 N SER A 93 -234.838 72.931 62.024 1.00 0.00 N ATOM 1452 CA SER A 93 -234.977 71.482 61.998 1.00 0.00 C ATOM 1453 C SER A 93 -236.424 71.069 62.302 1.00 0.00 C ATOM 1454 O SER A 93 -236.854 69.968 61.946 1.00 0.00 O ATOM 1455 CB SER A 93 -234.004 70.854 63.004 1.00 0.00 C ATOM 1456 OG SER A 93 -233.990 69.439 62.907 1.00 0.00 O ATOM 0 H SER A 93 -234.372 73.292 62.856 1.00 0.00 H new ATOM 0 HA SER A 93 -234.733 71.119 61.000 1.00 0.00 H new ATOM 0 HB2 SER A 93 -233.000 71.241 62.829 1.00 0.00 H new ATOM 0 HB3 SER A 93 -234.287 71.147 64.015 1.00 0.00 H new ATOM 0 HG SER A 93 -233.359 69.073 63.561 1.00 0.00 H new ATOM 1462 N LYS A 94 -237.175 71.966 62.935 1.00 0.00 N ATOM 1463 CA LYS A 94 -238.577 71.722 63.251 1.00 0.00 C ATOM 1464 C LYS A 94 -239.437 71.898 62.008 1.00 0.00 C ATOM 1465 O LYS A 94 -240.550 71.374 61.918 1.00 0.00 O ATOM 1466 CB LYS A 94 -239.066 72.716 64.302 1.00 0.00 C ATOM 1467 CG LYS A 94 -238.209 72.809 65.548 1.00 0.00 C ATOM 1468 CD LYS A 94 -238.751 73.870 66.491 1.00 0.00 C ATOM 1469 CE LYS A 94 -237.819 74.108 67.662 1.00 0.00 C ATOM 1470 NZ LYS A 94 -238.296 75.216 68.532 1.00 0.00 N ATOM 0 H LYS A 94 -236.831 72.876 63.241 1.00 0.00 H new ATOM 0 HA LYS A 94 -238.660 70.703 63.628 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -239.124 73.704 63.846 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -240.079 72.441 64.596 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -238.186 71.843 66.053 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -237.182 73.050 65.273 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -238.895 74.802 65.945 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -239.729 73.563 66.861 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -237.734 73.194 68.251 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -236.821 74.341 67.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -237.508 75.564 69.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -238.657 75.991 67.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -239.057 74.869 69.150 1.00 0.00 H new ATOM 1484 N TRP A 95 -238.910 72.662 61.066 1.00 0.00 N ATOM 1485 CA TRP A 95 -239.661 73.069 59.891 1.00 0.00 C ATOM 1486 C TRP A 95 -240.122 71.892 59.066 1.00 0.00 C ATOM 1487 O TRP A 95 -239.353 70.979 58.758 1.00 0.00 O ATOM 1488 CB TRP A 95 -238.840 74.009 59.016 1.00 0.00 C ATOM 1489 CG TRP A 95 -238.636 75.346 59.635 1.00 0.00 C ATOM 1490 CD1 TRP A 95 -238.965 75.727 60.901 1.00 0.00 C ATOM 1491 CD2 TRP A 95 -238.065 76.483 59.007 1.00 0.00 C ATOM 1492 NE1 TRP A 95 -238.628 77.037 61.099 1.00 0.00 N ATOM 1493 CE2 TRP A 95 -238.073 77.527 59.947 1.00 0.00 C ATOM 1494 CE3 TRP A 95 -237.549 76.716 57.734 1.00 0.00 C ATOM 1495 CZ2 TRP A 95 -237.580 78.789 59.650 1.00 0.00 C ATOM 1496 CZ3 TRP A 95 -237.060 77.964 57.441 1.00 0.00 C ATOM 1497 CH2 TRP A 95 -237.077 78.986 58.390 1.00 0.00 C ATOM 0 H TRP A 95 -237.954 73.016 61.094 1.00 0.00 H new ATOM 0 HA TRP A 95 -240.545 73.591 60.258 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -237.869 73.555 58.815 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -239.339 74.132 58.055 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -239.425 75.088 61.640 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -238.767 77.563 61.962 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -237.534 75.930 56.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -237.592 79.584 60.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -236.655 78.158 56.459 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -236.684 79.957 58.126 1.00 0.00 H new ATOM 1508 N LYS A 96 -241.383 71.947 58.694 1.00 0.00 N ATOM 1509 CA LYS A 96 -241.977 70.934 57.836 1.00 0.00 C ATOM 1510 C LYS A 96 -242.325 71.569 56.503 1.00 0.00 C ATOM 1511 O LYS A 96 -243.022 70.996 55.672 1.00 0.00 O ATOM 1512 CB LYS A 96 -243.212 70.324 58.499 1.00 0.00 C ATOM 1513 CG LYS A 96 -242.872 69.426 59.681 1.00 0.00 C ATOM 1514 CD LYS A 96 -244.119 68.953 60.414 1.00 0.00 C ATOM 1515 CE LYS A 96 -244.809 70.098 61.135 1.00 0.00 C ATOM 1516 NZ LYS A 96 -243.956 70.663 62.218 1.00 0.00 N ATOM 0 H LYS A 96 -242.025 72.689 58.974 1.00 0.00 H new ATOM 0 HA LYS A 96 -241.266 70.124 57.672 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -243.869 71.125 58.836 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -243.767 69.747 57.759 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -242.308 68.562 59.330 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -242.227 69.967 60.374 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -244.810 68.500 59.703 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -243.848 68.179 61.133 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -245.055 70.883 60.419 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -245.750 69.747 61.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -244.541 71.242 62.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -243.521 69.888 62.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -243.210 71.255 61.799 1.00 0.00 H new ATOM 1530 N GLY A 97 -241.806 72.770 56.330 1.00 0.00 N ATOM 1531 CA GLY A 97 -241.985 73.531 55.119 1.00 0.00 C ATOM 1532 C GLY A 97 -240.861 74.534 54.995 1.00 0.00 C ATOM 1533 O GLY A 97 -240.125 74.744 55.960 1.00 0.00 O ATOM 0 H GLY A 97 -241.244 73.245 57.036 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -241.993 72.867 54.255 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -242.947 74.044 55.136 1.00 0.00 H new ATOM 1537 N ALA A 98 -240.709 75.152 53.845 1.00 0.00 N ATOM 1538 CA ALA A 98 -239.618 76.087 53.652 1.00 0.00 C ATOM 1539 C ALA A 98 -240.039 77.492 54.046 1.00 0.00 C ATOM 1540 O ALA A 98 -240.794 78.144 53.326 1.00 0.00 O ATOM 1541 CB ALA A 98 -239.131 76.054 52.211 1.00 0.00 C ATOM 0 H ALA A 98 -241.318 75.028 53.036 1.00 0.00 H new ATOM 0 HA ALA A 98 -238.792 75.786 54.297 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -238.312 76.763 52.087 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -238.782 75.050 51.968 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -239.949 76.325 51.544 1.00 0.00 H new ATOM 1547 N GLY A 99 -239.558 77.956 55.191 1.00 0.00 N ATOM 1548 CA GLY A 99 -239.911 79.274 55.654 1.00 0.00 C ATOM 1549 C GLY A 99 -238.734 80.217 55.595 1.00 0.00 C ATOM 1550 O GLY A 99 -237.921 80.150 54.672 1.00 0.00 O ATOM 0 H GLY A 99 -238.929 77.439 55.805 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -240.725 79.668 55.045 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -240.279 79.214 56.678 1.00 0.00 H new ATOM 1554 N LYS A 100 -238.649 81.088 56.588 1.00 0.00 N ATOM 1555 CA LYS A 100 -237.508 81.974 56.775 1.00 0.00 C ATOM 1556 C LYS A 100 -237.495 82.397 58.222 1.00 0.00 C ATOM 1557 O LYS A 100 -238.513 82.302 58.908 1.00 0.00 O ATOM 1558 CB LYS A 100 -237.571 83.260 55.940 1.00 0.00 C ATOM 1559 CG LYS A 100 -238.358 83.182 54.661 1.00 0.00 C ATOM 1560 CD LYS A 100 -239.708 83.832 54.878 1.00 0.00 C ATOM 1561 CE LYS A 100 -240.694 83.447 53.811 1.00 0.00 C ATOM 1562 NZ LYS A 100 -242.061 83.928 54.135 1.00 0.00 N ATOM 0 H LYS A 100 -239.376 81.202 57.294 1.00 0.00 H new ATOM 0 HA LYS A 100 -236.623 81.420 56.463 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -237.999 84.049 56.558 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -236.552 83.562 55.698 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -237.822 83.686 53.857 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -238.484 82.142 54.358 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -240.098 83.542 55.854 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -239.591 84.916 54.890 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -240.378 83.863 52.854 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -240.706 82.363 53.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -242.754 83.430 53.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -242.266 83.742 55.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -242.121 84.950 53.954 1.00 0.00 H new ATOM 1576 N PHE A 101 -236.367 82.857 58.695 1.00 0.00 N ATOM 1577 CA PHE A 101 -236.332 83.493 59.984 1.00 0.00 C ATOM 1578 C PHE A 101 -236.596 84.990 59.807 1.00 0.00 C ATOM 1579 O PHE A 101 -236.373 85.534 58.731 1.00 0.00 O ATOM 1580 CB PHE A 101 -234.998 83.182 60.658 1.00 0.00 C ATOM 1581 CG PHE A 101 -234.833 81.701 60.874 1.00 0.00 C ATOM 1582 CD1 PHE A 101 -235.330 81.099 62.019 1.00 0.00 C ATOM 1583 CD2 PHE A 101 -234.215 80.908 59.919 1.00 0.00 C ATOM 1584 CE1 PHE A 101 -235.217 79.735 62.207 1.00 0.00 C ATOM 1585 CE2 PHE A 101 -234.094 79.543 60.106 1.00 0.00 C ATOM 1586 CZ PHE A 101 -234.597 78.958 61.249 1.00 0.00 C ATOM 0 H PHE A 101 -235.470 82.804 58.213 1.00 0.00 H new ATOM 0 HA PHE A 101 -237.112 83.110 60.642 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -234.180 83.556 60.043 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -234.941 83.701 61.615 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -235.811 81.703 62.773 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -233.824 81.361 59.020 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -235.613 79.277 63.102 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -233.606 78.936 59.358 1.00 0.00 H new ATOM 0 HZ PHE A 101 -234.506 77.892 61.395 1.00 0.00 H new ATOM 1596 N ILE A 102 -237.156 85.637 60.815 1.00 0.00 N ATOM 1597 CA ILE A 102 -237.459 87.066 60.723 1.00 0.00 C ATOM 1598 C ILE A 102 -236.977 87.794 61.971 1.00 0.00 C ATOM 1599 O ILE A 102 -237.279 87.380 63.089 1.00 0.00 O ATOM 1600 CB ILE A 102 -238.979 87.346 60.524 1.00 0.00 C ATOM 1601 CG1 ILE A 102 -239.464 86.892 59.138 1.00 0.00 C ATOM 1602 CG2 ILE A 102 -239.287 88.826 60.712 1.00 0.00 C ATOM 1603 CD1 ILE A 102 -239.803 85.421 59.045 1.00 0.00 C ATOM 0 H ILE A 102 -237.411 85.205 61.703 1.00 0.00 H new ATOM 0 HA ILE A 102 -236.932 87.437 59.844 1.00 0.00 H new ATOM 0 HB ILE A 102 -239.511 86.769 61.280 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -240.345 87.473 58.867 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -238.692 87.122 58.403 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -240.354 88.997 60.568 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -239.003 89.132 61.719 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -238.725 89.410 59.983 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -240.136 85.188 58.034 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -238.919 84.828 59.282 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -240.598 85.185 59.752 1.00 0.00 H new ATOM 1615 N LEU A 103 -236.222 88.871 61.782 1.00 0.00 N ATOM 1616 CA LEU A 103 -235.720 89.643 62.910 1.00 0.00 C ATOM 1617 C LEU A 103 -236.774 90.643 63.375 1.00 0.00 C ATOM 1618 O LEU A 103 -237.425 91.300 62.560 1.00 0.00 O ATOM 1619 CB LEU A 103 -234.436 90.390 62.543 1.00 0.00 C ATOM 1620 CG LEU A 103 -233.646 90.908 63.747 1.00 0.00 C ATOM 1621 CD1 LEU A 103 -232.889 89.771 64.410 1.00 0.00 C ATOM 1622 CD2 LEU A 103 -232.693 92.019 63.345 1.00 0.00 C ATOM 0 H LEU A 103 -235.947 89.226 60.866 1.00 0.00 H new ATOM 0 HA LEU A 103 -235.497 88.945 63.717 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -233.796 89.726 61.961 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -234.690 91.232 61.900 1.00 0.00 H new ATOM 0 HG LEU A 103 -234.356 91.322 64.463 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -232.332 90.155 65.265 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -233.595 89.012 64.748 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -232.196 89.329 63.694 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -232.147 92.365 64.223 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -231.988 91.643 62.604 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -233.259 92.848 62.920 1.00 0.00 H new ATOM 1634 N LYS A 104 -236.939 90.751 64.684 1.00 0.00 N ATOM 1635 CA LYS A 104 -237.928 91.645 65.267 1.00 0.00 C ATOM 1636 C LYS A 104 -237.485 92.039 66.672 1.00 0.00 C ATOM 1637 O LYS A 104 -236.580 91.424 67.223 1.00 0.00 O ATOM 1638 CB LYS A 104 -239.286 90.945 65.316 1.00 0.00 C ATOM 1639 CG LYS A 104 -240.441 91.886 65.597 1.00 0.00 C ATOM 1640 CD LYS A 104 -241.727 91.123 65.818 1.00 0.00 C ATOM 1641 CE LYS A 104 -242.190 90.399 64.566 1.00 0.00 C ATOM 1642 NZ LYS A 104 -242.641 91.339 63.505 1.00 0.00 N ATOM 0 H LYS A 104 -236.395 90.225 65.369 1.00 0.00 H new ATOM 0 HA LYS A 104 -238.018 92.544 64.657 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -239.461 90.441 64.365 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -239.261 90.173 66.085 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -240.217 92.488 66.477 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -240.563 92.575 64.762 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -241.585 90.400 66.621 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -242.505 91.813 66.145 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -241.376 89.785 64.182 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -243.006 89.723 64.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -243.073 90.802 62.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -243.341 91.999 63.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -241.825 91.875 63.146 1.00 0.00 H new ATOM 1656 N LEU A 105 -238.090 93.068 67.248 1.00 0.00 N ATOM 1657 CA LEU A 105 -237.877 93.358 68.660 1.00 0.00 C ATOM 1658 C LEU A 105 -238.902 92.592 69.474 1.00 0.00 C ATOM 1659 O LEU A 105 -240.015 92.357 69.007 1.00 0.00 O ATOM 1660 CB LEU A 105 -238.017 94.841 68.981 1.00 0.00 C ATOM 1661 CG LEU A 105 -236.758 95.536 69.500 1.00 0.00 C ATOM 1662 CD1 LEU A 105 -235.715 95.656 68.411 1.00 0.00 C ATOM 1663 CD2 LEU A 105 -237.104 96.907 70.066 1.00 0.00 C ATOM 0 H LEU A 105 -238.723 93.708 66.769 1.00 0.00 H new ATOM 0 HA LEU A 105 -236.859 93.058 68.907 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -238.348 95.358 68.080 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -238.806 94.959 69.724 1.00 0.00 H new ATOM 0 HG LEU A 105 -236.338 94.926 70.300 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -234.830 96.154 68.808 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -235.443 94.662 68.056 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -236.119 96.239 67.583 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -236.197 97.389 70.431 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -237.552 97.521 69.284 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -237.811 96.794 70.888 1.00 0.00 H new ATOM 1675 N LYS A 106 -238.549 92.217 70.688 1.00 0.00 N ATOM 1676 CA LYS A 106 -239.476 91.489 71.541 1.00 0.00 C ATOM 1677 C LYS A 106 -240.490 92.452 72.148 1.00 0.00 C ATOM 1678 O LYS A 106 -241.632 92.089 72.411 1.00 0.00 O ATOM 1679 CB LYS A 106 -238.707 90.722 72.609 1.00 0.00 C ATOM 1680 CG LYS A 106 -237.864 91.626 73.460 1.00 0.00 C ATOM 1681 CD LYS A 106 -236.800 90.876 74.246 1.00 0.00 C ATOM 1682 CE LYS A 106 -237.380 89.787 75.132 1.00 0.00 C ATOM 1683 NZ LYS A 106 -238.255 90.325 76.206 1.00 0.00 N ATOM 0 H LYS A 106 -237.637 92.401 71.106 1.00 0.00 H new ATOM 0 HA LYS A 106 -240.028 90.761 70.947 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -239.410 90.181 73.242 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -238.070 89.977 72.131 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -237.383 92.370 72.825 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -238.507 92.167 74.154 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -236.087 90.431 73.551 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -236.245 91.583 74.863 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -237.952 89.091 74.518 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -236.566 89.219 75.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -238.623 89.540 76.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -237.706 90.968 76.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -239.049 90.844 75.780 1.00 0.00 H new