USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 873 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 34 GLN : amide:sc= 0.478 X(o=1.3,f=1.4) USER MOD Set 1.2: A 61 THR OG1 : rot 84:sc= 1.06 USER MOD Set 1.3: A 64 HIS : no HE2:sc= -0.895 K(o=1.3,f=-4.9!) USER MOD Set 1.4: A 104 TYR OH : rot -175:sc= 0.705 USER MOD Set 2.1: A 66 HIS : no HE2:sc= -0.618 K(o=-0.63,f=-3!) USER MOD Set 2.2: A 95 GLN : amide:sc=-0.00782 X(o=-0.63,f=-0.96) USER MOD Set 3.1: A 77 SER OG : rot 39:sc= 1.19 USER MOD Set 3.2: A 79 SER OG : rot 107:sc= 0.00748 USER MOD Set 4.1: A 41 MET CE :methyl 166:sc= 0 (180deg=-0.0841) USER MOD Set 4.2: A 71 MET CE :methyl -164:sc= -0.554 (180deg=-0.926) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -0.579 X(o=-0.58,f=-0.64) USER MOD Single : A 29 SER OG : rot 17:sc= 1.33 USER MOD Single : A 35 SER OG : rot -48:sc= 1.21 USER MOD Single : A 44 ASN :FLIP amide:sc= 0.0371 F(o=-0.62,f=0.037) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 75 GLN : amide:sc= -0.0658 X(o=-0.066,f=-0.29) USER MOD Single : A 85 THR OG1 : rot -150:sc= 0 USER MOD Single : A 89 SER OG : rot -150:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0.497 X(o=0.5,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0382) USER MOD Single : A 111 ASN : amide:sc= -0.399 X(o=-0.4,f=-0.4) USER MOD Single : A 112 THR OG1 : rot 71:sc= 0.0865 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 119 SER OG : rot 85:sc= 1.27 USER MOD Single : A 121 TYR OH : rot 30:sc= 0 USER MOD Single : A 134 MET CE :methyl -169:sc= -0.0439 (180deg=-0.275) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 8.480 25.491 -2.124 1.00 0.00 N ATOM 2 CA MET A 23 7.823 25.142 -0.854 1.00 0.00 C ATOM 3 C MET A 23 6.314 25.379 -0.954 1.00 0.00 C ATOM 4 O MET A 23 5.793 26.357 -0.419 1.00 0.00 O ATOM 5 CB MET A 23 8.448 25.925 0.315 1.00 0.00 C ATOM 6 CG MET A 23 8.075 25.331 1.671 1.00 0.00 C ATOM 7 SD MET A 23 8.820 26.223 3.056 1.00 0.00 S ATOM 8 CE MET A 23 8.415 25.081 4.403 1.00 0.00 C ATOM 0 HA MET A 23 7.980 24.082 -0.655 1.00 0.00 H new ATOM 0 HB2 MET A 23 9.533 25.930 0.208 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.119 26.963 0.272 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.991 25.340 1.780 1.00 0.00 H new ATOM 0 HG3 MET A 23 8.390 24.288 1.705 1.00 0.00 H new ATOM 0 HE1 MET A 23 8.802 25.475 5.343 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.333 24.971 4.474 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.866 24.109 4.204 1.00 0.00 H new ATOM 20 N LYS A 24 5.572 24.492 -1.619 1.00 0.00 N ATOM 21 CA LYS A 24 4.116 24.434 -1.540 1.00 0.00 C ATOM 22 C LYS A 24 3.731 22.974 -1.689 1.00 0.00 C ATOM 23 O LYS A 24 4.122 22.369 -2.692 1.00 0.00 O ATOM 24 CB LYS A 24 3.438 25.305 -2.616 1.00 0.00 C ATOM 25 CG LYS A 24 1.913 25.397 -2.389 1.00 0.00 C ATOM 26 CD LYS A 24 1.106 25.291 -3.691 1.00 0.00 C ATOM 27 CE LYS A 24 -0.375 25.032 -3.392 1.00 0.00 C ATOM 28 NZ LYS A 24 -1.185 24.937 -4.623 1.00 0.00 N ATOM 0 H LYS A 24 5.973 23.785 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 24 3.775 24.835 -0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.870 26.305 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.636 24.886 -3.603 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.604 24.602 -1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.680 26.343 -1.900 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.210 26.212 -4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.504 24.484 -4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.473 24.108 -2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.763 25.835 -2.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.179 24.762 -4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.114 25.828 -5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.833 24.154 -5.211 1.00 0.00 H new ATOM 42 N VAL A 25 2.945 22.458 -0.741 1.00 0.00 N ATOM 43 CA VAL A 25 2.479 21.079 -0.599 1.00 0.00 C ATOM 44 C VAL A 25 3.668 20.192 -0.170 1.00 0.00 C ATOM 45 O VAL A 25 4.799 20.419 -0.623 1.00 0.00 O ATOM 46 CB VAL A 25 1.763 20.602 -1.892 1.00 0.00 C ATOM 47 CG1 VAL A 25 1.004 19.275 -1.749 1.00 0.00 C ATOM 48 CG2 VAL A 25 0.752 21.636 -2.421 1.00 0.00 C ATOM 0 H VAL A 25 2.588 23.047 0.012 1.00 0.00 H new ATOM 0 HA VAL A 25 1.725 21.005 0.184 1.00 0.00 H new ATOM 0 HB VAL A 25 2.589 20.465 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.535 19.020 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.700 18.486 -1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.236 19.376 -0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.280 21.253 -3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.010 21.820 -1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.270 22.568 -2.648 1.00 0.00 H new ATOM 58 N PRO A 26 3.467 19.184 0.701 1.00 0.00 N ATOM 59 CA PRO A 26 4.490 18.180 0.984 1.00 0.00 C ATOM 60 C PRO A 26 4.856 17.466 -0.323 1.00 0.00 C ATOM 61 O PRO A 26 3.975 17.281 -1.165 1.00 0.00 O ATOM 62 CB PRO A 26 3.864 17.220 2.003 1.00 0.00 C ATOM 63 CG PRO A 26 2.365 17.374 1.758 1.00 0.00 C ATOM 64 CD PRO A 26 2.247 18.855 1.421 1.00 0.00 C ATOM 0 HA PRO A 26 5.408 18.607 1.387 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.194 16.193 1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.134 17.487 3.025 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.018 16.741 0.941 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.779 17.108 2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.365 19.050 0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.149 19.457 2.324 1.00 0.00 H new ATOM 72 N PRO A 27 6.117 17.049 -0.515 1.00 0.00 N ATOM 73 CA PRO A 27 6.563 16.536 -1.803 1.00 0.00 C ATOM 74 C PRO A 27 5.891 15.203 -2.148 1.00 0.00 C ATOM 75 O PRO A 27 5.444 15.036 -3.287 1.00 0.00 O ATOM 76 CB PRO A 27 8.081 16.418 -1.683 1.00 0.00 C ATOM 77 CG PRO A 27 8.339 16.270 -0.184 1.00 0.00 C ATOM 78 CD PRO A 27 7.221 17.110 0.433 1.00 0.00 C ATOM 0 HA PRO A 27 6.286 17.198 -2.624 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.457 15.558 -2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.580 17.299 -2.086 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.287 15.229 0.135 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.325 16.640 0.096 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.925 16.716 1.405 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.545 18.139 0.592 1.00 0.00 H new ATOM 86 N HIS A 28 5.803 14.304 -1.152 1.00 0.00 N ATOM 87 CA HIS A 28 5.249 12.950 -1.203 1.00 0.00 C ATOM 88 C HIS A 28 5.735 12.150 -2.429 1.00 0.00 C ATOM 89 O HIS A 28 6.678 12.556 -3.115 1.00 0.00 O ATOM 90 CB HIS A 28 3.721 13.016 -0.993 1.00 0.00 C ATOM 91 CG HIS A 28 2.928 13.771 -2.032 1.00 0.00 C ATOM 92 ND1 HIS A 28 2.324 15.000 -1.879 1.00 0.00 N ATOM 93 CD2 HIS A 28 2.620 13.320 -3.283 1.00 0.00 C ATOM 94 CE1 HIS A 28 1.629 15.260 -2.998 1.00 0.00 C ATOM 95 NE2 HIS A 28 1.806 14.277 -3.899 1.00 0.00 N ATOM 0 H HIS A 28 6.146 14.529 -0.218 1.00 0.00 H new ATOM 0 HA HIS A 28 5.641 12.356 -0.377 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.339 11.996 -0.948 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.530 13.471 -0.021 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.393 15.605 -1.061 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.947 12.388 -3.720 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.015 16.135 -3.153 1.00 0.00 H new ATOM 103 N SER A 29 5.180 10.962 -2.672 1.00 0.00 N ATOM 104 CA SER A 29 5.346 10.174 -3.890 1.00 0.00 C ATOM 105 C SER A 29 4.196 9.167 -3.969 1.00 0.00 C ATOM 106 O SER A 29 4.360 8.010 -3.596 1.00 0.00 O ATOM 107 CB SER A 29 6.715 9.477 -3.920 1.00 0.00 C ATOM 108 OG SER A 29 7.759 10.396 -4.194 1.00 0.00 O ATOM 0 H SER A 29 4.574 10.503 -1.992 1.00 0.00 H new ATOM 0 HA SER A 29 5.316 10.827 -4.762 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.898 8.991 -2.962 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.709 8.694 -4.678 1.00 0.00 H new ATOM 0 HG SER A 29 7.438 11.310 -4.043 1.00 0.00 H new ATOM 114 N ILE A 30 3.035 9.609 -4.465 1.00 0.00 N ATOM 115 CA ILE A 30 1.841 8.788 -4.696 1.00 0.00 C ATOM 116 C ILE A 30 2.243 7.553 -5.489 1.00 0.00 C ATOM 117 O ILE A 30 1.917 6.434 -5.129 1.00 0.00 O ATOM 118 CB ILE A 30 0.797 9.625 -5.501 1.00 0.00 C ATOM 119 CG1 ILE A 30 0.383 10.936 -4.810 1.00 0.00 C ATOM 120 CG2 ILE A 30 -0.473 8.875 -5.952 1.00 0.00 C ATOM 121 CD1 ILE A 30 -0.154 10.731 -3.396 1.00 0.00 C ATOM 0 H ILE A 30 2.896 10.585 -4.726 1.00 0.00 H new ATOM 0 HA ILE A 30 1.399 8.482 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 30 1.366 9.853 -6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.243 11.605 -4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.379 11.431 -5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.123 9.557 -6.501 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.194 8.042 -6.597 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.001 8.496 -5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.427 11.695 -2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.033 10.087 -3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.614 10.264 -2.779 1.00 0.00 H new ATOM 133 N GLU A 31 2.849 7.766 -6.640 1.00 0.00 N ATOM 134 CA GLU A 31 3.134 6.737 -7.622 1.00 0.00 C ATOM 135 C GLU A 31 4.165 5.724 -7.119 1.00 0.00 C ATOM 136 O GLU A 31 4.070 4.534 -7.412 1.00 0.00 O ATOM 137 CB GLU A 31 3.472 7.462 -8.917 1.00 0.00 C ATOM 138 CG GLU A 31 2.178 8.169 -9.407 1.00 0.00 C ATOM 139 CD GLU A 31 2.456 9.360 -10.318 1.00 0.00 C ATOM 140 OE1 GLU A 31 3.223 10.258 -9.903 1.00 0.00 O ATOM 141 OE2 GLU A 31 1.840 9.481 -11.402 1.00 0.00 O ATOM 0 H GLU A 31 3.168 8.691 -6.928 1.00 0.00 H new ATOM 0 HA GLU A 31 2.275 6.094 -7.812 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.268 8.189 -8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.832 6.759 -9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.557 7.449 -9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.606 8.506 -8.543 1.00 0.00 H new ATOM 148 N ALA A 32 5.131 6.183 -6.322 1.00 0.00 N ATOM 149 CA ALA A 32 6.023 5.286 -5.595 1.00 0.00 C ATOM 150 C ALA A 32 5.231 4.481 -4.566 1.00 0.00 C ATOM 151 O ALA A 32 5.341 3.260 -4.557 1.00 0.00 O ATOM 152 CB ALA A 32 7.163 6.052 -4.927 1.00 0.00 C ATOM 0 H ALA A 32 5.314 7.174 -6.165 1.00 0.00 H new ATOM 0 HA ALA A 32 6.471 4.597 -6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.808 5.353 -4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.744 6.575 -5.687 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.752 6.775 -4.223 1.00 0.00 H new ATOM 158 N GLU A 33 4.416 5.144 -3.736 1.00 0.00 N ATOM 159 CA GLU A 33 3.519 4.503 -2.775 1.00 0.00 C ATOM 160 C GLU A 33 2.682 3.421 -3.480 1.00 0.00 C ATOM 161 O GLU A 33 2.566 2.308 -2.966 1.00 0.00 O ATOM 162 CB GLU A 33 2.607 5.545 -2.084 1.00 0.00 C ATOM 163 CG GLU A 33 3.179 6.310 -0.878 1.00 0.00 C ATOM 164 CD GLU A 33 2.120 7.180 -0.167 1.00 0.00 C ATOM 165 OE1 GLU A 33 0.897 6.981 -0.368 1.00 0.00 O ATOM 166 OE2 GLU A 33 2.498 8.092 0.603 1.00 0.00 O ATOM 0 H GLU A 33 4.363 6.162 -3.716 1.00 0.00 H new ATOM 0 HA GLU A 33 4.122 4.029 -2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.307 6.277 -2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.701 5.034 -1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.596 5.598 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.000 6.945 -1.212 1.00 0.00 H new ATOM 173 N GLN A 34 2.152 3.714 -4.675 1.00 0.00 N ATOM 174 CA GLN A 34 1.403 2.771 -5.490 1.00 0.00 C ATOM 175 C GLN A 34 2.251 1.530 -5.777 1.00 0.00 C ATOM 176 O GLN A 34 1.851 0.413 -5.447 1.00 0.00 O ATOM 177 CB GLN A 34 0.942 3.375 -6.832 1.00 0.00 C ATOM 178 CG GLN A 34 -0.211 4.377 -6.738 1.00 0.00 C ATOM 179 CD GLN A 34 -0.922 4.523 -8.079 1.00 0.00 C ATOM 180 OE1 GLN A 34 -0.296 4.657 -9.129 1.00 0.00 O ATOM 181 NE2 GLN A 34 -2.239 4.457 -8.080 1.00 0.00 N ATOM 0 H GLN A 34 2.239 4.635 -5.104 1.00 0.00 H new ATOM 0 HA GLN A 34 0.515 2.507 -4.916 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.793 3.869 -7.300 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.642 2.562 -7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.922 4.048 -5.980 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.171 5.346 -6.418 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.745 4.346 -7.201 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.752 4.517 -8.960 1.00 0.00 H new ATOM 190 N SER A 35 3.394 1.722 -6.438 1.00 0.00 N ATOM 191 CA SER A 35 4.236 0.635 -6.910 1.00 0.00 C ATOM 192 C SER A 35 4.905 -0.149 -5.773 1.00 0.00 C ATOM 193 O SER A 35 5.278 -1.302 -5.971 1.00 0.00 O ATOM 194 CB SER A 35 5.277 1.211 -7.865 1.00 0.00 C ATOM 195 OG SER A 35 4.660 1.731 -9.036 1.00 0.00 O ATOM 0 H SER A 35 3.760 2.648 -6.660 1.00 0.00 H new ATOM 0 HA SER A 35 3.603 -0.087 -7.426 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.838 2.000 -7.364 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.992 0.436 -8.140 1.00 0.00 H new ATOM 0 HG SER A 35 4.030 1.071 -9.394 1.00 0.00 H new ATOM 201 N VAL A 36 5.059 0.422 -4.578 1.00 0.00 N ATOM 202 CA VAL A 36 5.467 -0.347 -3.404 1.00 0.00 C ATOM 203 C VAL A 36 4.386 -1.381 -3.109 1.00 0.00 C ATOM 204 O VAL A 36 4.668 -2.575 -3.049 1.00 0.00 O ATOM 205 CB VAL A 36 5.746 0.573 -2.194 1.00 0.00 C ATOM 206 CG1 VAL A 36 5.946 -0.206 -0.887 1.00 0.00 C ATOM 207 CG2 VAL A 36 7.021 1.391 -2.412 1.00 0.00 C ATOM 0 H VAL A 36 4.907 1.415 -4.398 1.00 0.00 H new ATOM 0 HA VAL A 36 6.406 -0.862 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 36 4.867 1.212 -2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.138 0.493 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.048 -0.782 -0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.794 -0.882 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.195 2.030 -1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.868 0.717 -2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.909 2.009 -3.303 1.00 0.00 H new ATOM 217 N LEU A 37 3.147 -0.932 -2.933 1.00 0.00 N ATOM 218 CA LEU A 37 2.056 -1.795 -2.499 1.00 0.00 C ATOM 219 C LEU A 37 1.713 -2.819 -3.570 1.00 0.00 C ATOM 220 O LEU A 37 1.445 -3.977 -3.257 1.00 0.00 O ATOM 221 CB LEU A 37 0.840 -0.934 -2.165 1.00 0.00 C ATOM 222 CG LEU A 37 1.115 0.019 -0.990 1.00 0.00 C ATOM 223 CD1 LEU A 37 -0.016 1.031 -0.934 1.00 0.00 C ATOM 224 CD2 LEU A 37 1.249 -0.686 0.363 1.00 0.00 C ATOM 0 H LEU A 37 2.872 0.038 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 37 2.366 -2.343 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.554 -0.354 -3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.004 -1.578 -1.919 1.00 0.00 H new ATOM 0 HG LEU A 37 2.079 0.496 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.154 1.721 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.053 1.588 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.962 0.511 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.442 0.053 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.325 -1.218 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.076 -1.395 0.323 1.00 0.00 H new ATOM 236 N GLY A 38 1.748 -2.413 -4.837 1.00 0.00 N ATOM 237 CA GLY A 38 1.668 -3.335 -5.953 1.00 0.00 C ATOM 238 C GLY A 38 2.816 -4.341 -5.910 1.00 0.00 C ATOM 239 O GLY A 38 2.587 -5.534 -6.107 1.00 0.00 O ATOM 0 H GLY A 38 1.833 -1.435 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.715 -3.863 -5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.699 -2.781 -6.891 1.00 0.00 H new ATOM 243 N GLY A 39 4.037 -3.899 -5.594 1.00 0.00 N ATOM 244 CA GLY A 39 5.197 -4.766 -5.496 1.00 0.00 C ATOM 245 C GLY A 39 5.045 -5.829 -4.419 1.00 0.00 C ATOM 246 O GLY A 39 5.524 -6.941 -4.611 1.00 0.00 O ATOM 0 H GLY A 39 4.241 -2.919 -5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.366 -5.250 -6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.080 -4.163 -5.284 1.00 0.00 H new ATOM 250 N LEU A 40 4.358 -5.524 -3.320 1.00 0.00 N ATOM 251 CA LEU A 40 4.078 -6.502 -2.274 1.00 0.00 C ATOM 252 C LEU A 40 3.148 -7.604 -2.786 1.00 0.00 C ATOM 253 O LEU A 40 3.290 -8.752 -2.375 1.00 0.00 O ATOM 254 CB LEU A 40 3.445 -5.807 -1.061 1.00 0.00 C ATOM 255 CG LEU A 40 4.377 -4.840 -0.312 1.00 0.00 C ATOM 256 CD1 LEU A 40 3.580 -4.101 0.765 1.00 0.00 C ATOM 257 CD2 LEU A 40 5.550 -5.587 0.320 1.00 0.00 C ATOM 0 H LEU A 40 3.981 -4.595 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 40 5.021 -6.961 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.565 -5.256 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.099 -6.569 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 40 4.783 -4.122 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.238 -3.415 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.771 -3.539 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.162 -4.822 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.193 -4.879 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.172 -6.325 1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.123 -6.090 -0.459 1.00 0.00 H new ATOM 269 N MET A 41 2.218 -7.279 -3.690 1.00 0.00 N ATOM 270 CA MET A 41 1.375 -8.287 -4.327 1.00 0.00 C ATOM 271 C MET A 41 2.188 -9.101 -5.340 1.00 0.00 C ATOM 272 O MET A 41 1.881 -10.273 -5.567 1.00 0.00 O ATOM 273 CB MET A 41 0.154 -7.646 -5.014 1.00 0.00 C ATOM 274 CG MET A 41 -0.692 -6.783 -4.069 1.00 0.00 C ATOM 275 SD MET A 41 -2.128 -6.006 -4.863 1.00 0.00 S ATOM 276 CE MET A 41 -1.987 -4.319 -4.221 1.00 0.00 C ATOM 0 H MET A 41 2.033 -6.324 -3.995 1.00 0.00 H new ATOM 0 HA MET A 41 1.009 -8.955 -3.548 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.496 -7.032 -5.847 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.472 -8.433 -5.434 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.038 -7.402 -3.241 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.060 -6.004 -3.642 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.634 -3.656 -4.796 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.288 -4.302 -3.174 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.954 -3.982 -4.307 1.00 0.00 H new ATOM 286 N LEU A 42 3.215 -8.519 -5.970 1.00 0.00 N ATOM 287 CA LEU A 42 4.127 -9.248 -6.851 1.00 0.00 C ATOM 288 C LEU A 42 4.958 -10.249 -6.061 1.00 0.00 C ATOM 289 O LEU A 42 4.982 -11.434 -6.398 1.00 0.00 O ATOM 290 CB LEU A 42 5.074 -8.328 -7.636 1.00 0.00 C ATOM 291 CG LEU A 42 4.521 -7.930 -9.010 1.00 0.00 C ATOM 292 CD1 LEU A 42 3.573 -6.738 -8.924 1.00 0.00 C ATOM 293 CD2 LEU A 42 5.677 -7.532 -9.918 1.00 0.00 C ATOM 0 H LEU A 42 3.435 -7.527 -5.881 1.00 0.00 H new ATOM 0 HA LEU A 42 3.492 -9.766 -7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.263 -7.427 -7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.033 -8.830 -7.768 1.00 0.00 H new ATOM 0 HG LEU A 42 3.975 -8.789 -9.400 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.206 -6.492 -9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.731 -6.989 -8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.104 -5.880 -8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.290 -7.248 -10.897 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.210 -6.688 -9.480 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.360 -8.375 -10.028 1.00 0.00 H new ATOM 305 N ASP A 43 5.666 -9.757 -5.053 1.00 0.00 N ATOM 306 CA ASP A 43 6.702 -10.468 -4.315 1.00 0.00 C ATOM 307 C ASP A 43 6.611 -10.141 -2.832 1.00 0.00 C ATOM 308 O ASP A 43 7.214 -9.200 -2.318 1.00 0.00 O ATOM 309 CB ASP A 43 8.066 -10.124 -4.917 1.00 0.00 C ATOM 310 CG ASP A 43 9.225 -10.927 -4.328 1.00 0.00 C ATOM 311 OD1 ASP A 43 9.039 -11.702 -3.366 1.00 0.00 O ATOM 312 OD2 ASP A 43 10.342 -10.831 -4.890 1.00 0.00 O ATOM 0 H ASP A 43 5.527 -8.806 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 43 6.562 -11.545 -4.402 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.030 -10.293 -5.993 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.260 -9.062 -4.768 1.00 0.00 H new ATOM 317 N ASN A 44 5.797 -10.935 -2.149 1.00 0.00 N ATOM 318 CA ASN A 44 5.429 -10.744 -0.744 1.00 0.00 C ATOM 319 C ASN A 44 6.595 -10.922 0.230 1.00 0.00 C ATOM 320 O ASN A 44 6.498 -10.478 1.375 1.00 0.00 O ATOM 321 CB ASN A 44 4.277 -11.660 -0.322 1.00 0.00 C ATOM 322 CG ASN A 44 4.609 -13.121 -0.532 1.00 0.00 C ATOM 323 OD1 ASN A 44 4.336 -13.606 -1.728 1.00 0.00 O flip ATOM 324 ND2 ASN A 44 5.115 -13.815 0.342 1.00 0.00 N flip ATOM 0 H ASN A 44 5.359 -11.756 -2.566 1.00 0.00 H new ATOM 0 HA ASN A 44 5.108 -9.704 -0.686 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.044 -11.489 0.729 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.384 -11.405 -0.892 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.316 -13.415 1.258 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.335 -14.793 0.153 1.00 0.00 H new ATOM 331 N GLU A 45 7.716 -11.511 -0.185 1.00 0.00 N ATOM 332 CA GLU A 45 8.926 -11.579 0.642 1.00 0.00 C ATOM 333 C GLU A 45 9.508 -10.183 0.846 1.00 0.00 C ATOM 334 O GLU A 45 10.127 -9.902 1.878 1.00 0.00 O ATOM 335 CB GLU A 45 9.953 -12.499 -0.020 1.00 0.00 C ATOM 336 CG GLU A 45 9.426 -13.927 -0.221 1.00 0.00 C ATOM 337 CD GLU A 45 10.431 -14.831 -0.933 1.00 0.00 C ATOM 338 OE1 GLU A 45 11.216 -14.359 -1.792 1.00 0.00 O ATOM 339 OE2 GLU A 45 10.389 -16.059 -0.692 1.00 0.00 O ATOM 0 H GLU A 45 7.814 -11.953 -1.099 1.00 0.00 H new ATOM 0 HA GLU A 45 8.668 -11.986 1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.239 -12.082 -0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.854 -12.531 0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.179 -14.359 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.502 -13.891 -0.799 1.00 0.00 H new ATOM 346 N ARG A 46 9.201 -9.256 -0.066 1.00 0.00 N ATOM 347 CA ARG A 46 9.653 -7.883 0.039 1.00 0.00 C ATOM 348 C ARG A 46 8.880 -7.152 1.130 1.00 0.00 C ATOM 349 O ARG A 46 9.287 -6.043 1.459 1.00 0.00 O ATOM 350 CB ARG A 46 9.467 -7.163 -1.305 1.00 0.00 C ATOM 351 CG ARG A 46 10.195 -7.833 -2.479 1.00 0.00 C ATOM 352 CD ARG A 46 11.702 -7.572 -2.421 1.00 0.00 C ATOM 353 NE ARG A 46 12.364 -8.145 -3.599 1.00 0.00 N ATOM 354 CZ ARG A 46 13.508 -8.830 -3.652 1.00 0.00 C ATOM 355 NH1 ARG A 46 14.165 -9.152 -2.546 1.00 0.00 N ATOM 356 NH2 ARG A 46 13.984 -9.181 -4.841 1.00 0.00 N ATOM 0 H ARG A 46 8.633 -9.444 -0.892 1.00 0.00 H new ATOM 0 HA ARG A 46 10.711 -7.884 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.402 -7.111 -1.533 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.823 -6.137 -1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.009 -8.907 -2.460 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.795 -7.457 -3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.891 -6.499 -2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.119 -8.008 -1.513 1.00 0.00 H new ATOM 0 HE ARG A 46 11.889 -8.001 -4.490 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.797 -8.876 -1.636 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.038 -9.676 -2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.477 -8.927 -5.689 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.857 -9.705 -4.907 1.00 0.00 H new ATOM 370 N TRP A 47 7.839 -7.752 1.731 1.00 0.00 N ATOM 371 CA TRP A 47 7.175 -7.216 2.912 1.00 0.00 C ATOM 372 C TRP A 47 8.207 -6.822 3.951 1.00 0.00 C ATOM 373 O TRP A 47 8.154 -5.709 4.457 1.00 0.00 O ATOM 374 CB TRP A 47 6.176 -8.217 3.511 1.00 0.00 C ATOM 375 CG TRP A 47 5.509 -7.711 4.755 1.00 0.00 C ATOM 376 CD1 TRP A 47 5.970 -7.854 6.020 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.356 -6.828 4.859 1.00 0.00 C ATOM 378 NE1 TRP A 47 5.183 -7.127 6.889 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.188 -6.450 6.221 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.480 -6.252 3.919 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.211 -5.532 6.629 1.00 0.00 C ATOM 382 CZ3 TRP A 47 2.493 -5.336 4.314 1.00 0.00 C ATOM 383 CH2 TRP A 47 2.354 -4.977 5.665 1.00 0.00 C ATOM 0 H TRP A 47 7.438 -8.630 1.401 1.00 0.00 H new ATOM 0 HA TRP A 47 6.612 -6.335 2.605 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.414 -8.450 2.767 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.696 -9.148 3.738 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.825 -8.448 6.306 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.321 -7.095 7.899 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.569 -6.520 2.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.119 -5.256 7.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.836 -4.904 3.574 1.00 0.00 H new ATOM 0 HH2 TRP A 47 1.589 -4.275 5.962 1.00 0.00 H new ATOM 394 N ASP A 48 9.150 -7.710 4.264 1.00 0.00 N ATOM 395 CA ASP A 48 10.131 -7.427 5.310 1.00 0.00 C ATOM 396 C ASP A 48 11.073 -6.292 4.962 1.00 0.00 C ATOM 397 O ASP A 48 11.597 -5.654 5.870 1.00 0.00 O ATOM 398 CB ASP A 48 10.938 -8.693 5.617 1.00 0.00 C ATOM 399 CG ASP A 48 10.432 -9.355 6.890 1.00 0.00 C ATOM 400 OD1 ASP A 48 9.446 -10.123 6.828 1.00 0.00 O ATOM 401 OD2 ASP A 48 10.985 -9.092 7.983 1.00 0.00 O ATOM 0 H ASP A 48 9.255 -8.620 3.815 1.00 0.00 H new ATOM 0 HA ASP A 48 9.569 -7.108 6.188 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.862 -9.391 4.783 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.993 -8.441 5.726 1.00 0.00 H new ATOM 406 N ASP A 49 11.318 -6.040 3.681 1.00 0.00 N ATOM 407 CA ASP A 49 12.245 -4.995 3.249 1.00 0.00 C ATOM 408 C ASP A 49 11.534 -3.647 3.199 1.00 0.00 C ATOM 409 O ASP A 49 12.051 -2.625 3.644 1.00 0.00 O ATOM 410 CB ASP A 49 12.849 -5.349 1.885 1.00 0.00 C ATOM 411 CG ASP A 49 14.287 -4.851 1.824 1.00 0.00 C ATOM 412 OD1 ASP A 49 15.194 -5.613 2.244 1.00 0.00 O ATOM 413 OD2 ASP A 49 14.536 -3.728 1.340 1.00 0.00 O ATOM 0 H ASP A 49 10.882 -6.551 2.913 1.00 0.00 H new ATOM 0 HA ASP A 49 13.058 -4.924 3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.819 -6.428 1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.262 -4.896 1.086 1.00 0.00 H new ATOM 418 N VAL A 50 10.298 -3.670 2.707 1.00 0.00 N ATOM 419 CA VAL A 50 9.380 -2.551 2.666 1.00 0.00 C ATOM 420 C VAL A 50 9.032 -2.136 4.093 1.00 0.00 C ATOM 421 O VAL A 50 9.207 -0.968 4.411 1.00 0.00 O ATOM 422 CB VAL A 50 8.164 -2.966 1.820 1.00 0.00 C ATOM 423 CG1 VAL A 50 7.001 -1.978 1.924 1.00 0.00 C ATOM 424 CG2 VAL A 50 8.559 -3.066 0.336 1.00 0.00 C ATOM 0 H VAL A 50 9.895 -4.517 2.307 1.00 0.00 H new ATOM 0 HA VAL A 50 9.819 -1.672 2.194 1.00 0.00 H new ATOM 0 HB VAL A 50 7.839 -3.930 2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.173 -2.324 1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.675 -1.908 2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.326 -0.996 1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.690 -3.360 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.921 -2.098 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.346 -3.811 0.218 1.00 0.00 H new ATOM 434 N ALA A 51 8.597 -3.033 4.981 1.00 0.00 N ATOM 435 CA ALA A 51 8.281 -2.693 6.367 1.00 0.00 C ATOM 436 C ALA A 51 9.502 -2.105 7.088 1.00 0.00 C ATOM 437 O ALA A 51 9.359 -1.289 7.995 1.00 0.00 O ATOM 438 CB ALA A 51 7.735 -3.923 7.102 1.00 0.00 C ATOM 0 H ALA A 51 8.454 -4.018 4.757 1.00 0.00 H new ATOM 0 HA ALA A 51 7.508 -1.924 6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.503 -3.657 8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.830 -4.272 6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.483 -4.715 7.091 1.00 0.00 H new ATOM 444 N GLU A 52 10.710 -2.459 6.645 1.00 0.00 N ATOM 445 CA GLU A 52 11.988 -1.936 7.098 1.00 0.00 C ATOM 446 C GLU A 52 12.364 -0.583 6.503 1.00 0.00 C ATOM 447 O GLU A 52 13.423 -0.031 6.817 1.00 0.00 O ATOM 448 CB GLU A 52 13.098 -2.961 6.836 1.00 0.00 C ATOM 449 CG GLU A 52 13.278 -3.825 8.080 1.00 0.00 C ATOM 450 CD GLU A 52 13.928 -3.001 9.193 1.00 0.00 C ATOM 451 OE1 GLU A 52 15.155 -2.763 9.127 1.00 0.00 O ATOM 452 OE2 GLU A 52 13.206 -2.547 10.116 1.00 0.00 O ATOM 0 H GLU A 52 10.822 -3.163 5.915 1.00 0.00 H new ATOM 0 HA GLU A 52 11.876 -1.763 8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.841 -3.584 5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.031 -2.452 6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.312 -4.205 8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.898 -4.691 7.846 1.00 0.00 H new ATOM 459 N ARG A 53 11.520 -0.017 5.652 1.00 0.00 N ATOM 460 CA ARG A 53 11.641 1.355 5.196 1.00 0.00 C ATOM 461 C ARG A 53 10.411 2.143 5.562 1.00 0.00 C ATOM 462 O ARG A 53 10.572 3.311 5.886 1.00 0.00 O ATOM 463 CB ARG A 53 11.879 1.412 3.679 1.00 0.00 C ATOM 464 CG ARG A 53 13.267 0.920 3.261 1.00 0.00 C ATOM 465 CD ARG A 53 14.374 1.803 3.855 1.00 0.00 C ATOM 466 NE ARG A 53 15.701 1.320 3.480 1.00 0.00 N ATOM 467 CZ ARG A 53 16.342 0.293 4.048 1.00 0.00 C ATOM 468 NH1 ARG A 53 15.797 -0.385 5.060 1.00 0.00 N ATOM 469 NH2 ARG A 53 17.535 -0.042 3.587 1.00 0.00 N ATOM 0 H ARG A 53 10.720 -0.509 5.254 1.00 0.00 H new ATOM 0 HA ARG A 53 12.503 1.800 5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.122 0.809 3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.747 2.438 3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.404 -0.110 3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.343 0.920 2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.248 2.829 3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.285 1.819 4.941 1.00 0.00 H new ATOM 0 HE ARG A 53 16.178 1.807 2.721 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.877 -0.123 5.413 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.301 -1.166 5.481 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.948 0.479 2.814 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.043 -0.822 4.005 1.00 0.00 H new ATOM 483 N VAL A 54 9.226 1.539 5.583 1.00 0.00 N ATOM 484 CA VAL A 54 7.995 2.300 5.687 1.00 0.00 C ATOM 485 C VAL A 54 6.984 1.627 6.591 1.00 0.00 C ATOM 486 O VAL A 54 6.773 0.415 6.523 1.00 0.00 O ATOM 487 CB VAL A 54 7.374 2.479 4.289 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.012 3.632 3.515 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.416 1.234 3.392 1.00 0.00 C ATOM 0 H VAL A 54 9.097 0.529 5.529 1.00 0.00 H new ATOM 0 HA VAL A 54 8.248 3.268 6.121 1.00 0.00 H new ATOM 0 HB VAL A 54 6.329 2.692 4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.540 3.718 2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.874 4.562 4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.078 3.440 3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.955 1.462 2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.452 0.933 3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.871 0.421 3.872 1.00 0.00 H new ATOM 499 N VAL A 55 6.278 2.446 7.357 1.00 0.00 N ATOM 500 CA VAL A 55 5.104 2.044 8.113 1.00 0.00 C ATOM 501 C VAL A 55 3.916 2.853 7.590 1.00 0.00 C ATOM 502 O VAL A 55 4.084 3.806 6.820 1.00 0.00 O ATOM 503 CB VAL A 55 5.358 2.188 9.626 1.00 0.00 C ATOM 504 CG1 VAL A 55 6.529 1.299 10.063 1.00 0.00 C ATOM 505 CG2 VAL A 55 5.645 3.629 10.064 1.00 0.00 C ATOM 0 H VAL A 55 6.513 3.432 7.472 1.00 0.00 H new ATOM 0 HA VAL A 55 4.874 0.988 7.972 1.00 0.00 H new ATOM 0 HB VAL A 55 4.433 1.874 10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.693 1.414 11.134 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.297 0.257 9.841 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.430 1.593 9.524 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.814 3.655 11.140 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.532 3.996 9.548 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.793 4.262 9.815 1.00 0.00 H new ATOM 515 N ALA A 56 2.705 2.504 8.015 1.00 0.00 N ATOM 516 CA ALA A 56 1.483 3.139 7.550 1.00 0.00 C ATOM 517 C ALA A 56 1.485 4.651 7.804 1.00 0.00 C ATOM 518 O ALA A 56 0.834 5.383 7.067 1.00 0.00 O ATOM 519 CB ALA A 56 0.287 2.477 8.246 1.00 0.00 C ATOM 0 H ALA A 56 2.547 1.764 8.699 1.00 0.00 H new ATOM 0 HA ALA A 56 1.411 3.004 6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.637 2.945 7.905 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.267 1.415 8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.380 2.600 9.325 1.00 0.00 H new ATOM 525 N ASP A 57 2.198 5.142 8.817 1.00 0.00 N ATOM 526 CA ASP A 57 2.244 6.577 9.091 1.00 0.00 C ATOM 527 C ASP A 57 3.061 7.330 8.044 1.00 0.00 C ATOM 528 O ASP A 57 2.795 8.504 7.780 1.00 0.00 O ATOM 529 CB ASP A 57 2.805 6.856 10.487 1.00 0.00 C ATOM 530 CG ASP A 57 1.895 6.316 11.578 1.00 0.00 C ATOM 531 OD1 ASP A 57 0.816 6.894 11.847 1.00 0.00 O ATOM 532 OD2 ASP A 57 2.214 5.269 12.176 1.00 0.00 O ATOM 0 H ASP A 57 2.749 4.571 9.458 1.00 0.00 H new ATOM 0 HA ASP A 57 1.217 6.938 9.045 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.792 6.403 10.579 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.934 7.930 10.619 1.00 0.00 H new ATOM 537 N ASP A 58 4.048 6.681 7.427 1.00 0.00 N ATOM 538 CA ASP A 58 4.922 7.269 6.425 1.00 0.00 C ATOM 539 C ASP A 58 4.143 7.442 5.114 1.00 0.00 C ATOM 540 O ASP A 58 4.298 8.456 4.421 1.00 0.00 O ATOM 541 CB ASP A 58 6.154 6.377 6.215 1.00 0.00 C ATOM 542 CG ASP A 58 7.063 6.229 7.442 1.00 0.00 C ATOM 543 OD1 ASP A 58 7.237 7.199 8.219 1.00 0.00 O ATOM 544 OD2 ASP A 58 7.606 5.118 7.629 1.00 0.00 O ATOM 0 H ASP A 58 4.264 5.703 7.620 1.00 0.00 H new ATOM 0 HA ASP A 58 5.265 8.247 6.763 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.819 5.386 5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.742 6.783 5.392 1.00 0.00 H new ATOM 549 N PHE A 59 3.263 6.483 4.805 1.00 0.00 N ATOM 550 CA PHE A 59 2.283 6.568 3.727 1.00 0.00 C ATOM 551 C PHE A 59 1.301 7.692 4.021 1.00 0.00 C ATOM 552 O PHE A 59 0.763 7.775 5.128 1.00 0.00 O ATOM 553 CB PHE A 59 1.505 5.251 3.598 1.00 0.00 C ATOM 554 CG PHE A 59 2.200 4.245 2.718 1.00 0.00 C ATOM 555 CD1 PHE A 59 3.291 3.514 3.212 1.00 0.00 C ATOM 556 CD2 PHE A 59 1.795 4.087 1.383 1.00 0.00 C ATOM 557 CE1 PHE A 59 4.010 2.681 2.344 1.00 0.00 C ATOM 558 CE2 PHE A 59 2.481 3.203 0.533 1.00 0.00 C ATOM 559 CZ PHE A 59 3.610 2.519 1.006 1.00 0.00 C ATOM 0 H PHE A 59 3.215 5.602 5.316 1.00 0.00 H new ATOM 0 HA PHE A 59 2.812 6.763 2.794 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.361 4.821 4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.514 5.458 3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.574 3.592 4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.952 4.648 1.007 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.882 2.157 2.707 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.140 3.051 -0.480 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.169 1.872 0.346 1.00 0.00 H new ATOM 569 N TYR A 60 1.022 8.535 3.029 1.00 0.00 N ATOM 570 CA TYR A 60 0.055 9.611 3.185 1.00 0.00 C ATOM 571 C TYR A 60 -1.296 9.297 2.547 1.00 0.00 C ATOM 572 O TYR A 60 -2.349 9.617 3.109 1.00 0.00 O ATOM 573 CB TYR A 60 0.597 10.903 2.560 1.00 0.00 C ATOM 574 CG TYR A 60 -0.353 12.043 2.855 1.00 0.00 C ATOM 575 CD1 TYR A 60 -0.413 12.529 4.172 1.00 0.00 C ATOM 576 CD2 TYR A 60 -1.314 12.449 1.907 1.00 0.00 C ATOM 577 CE1 TYR A 60 -1.430 13.407 4.560 1.00 0.00 C ATOM 578 CE2 TYR A 60 -2.357 13.308 2.299 1.00 0.00 C ATOM 579 CZ TYR A 60 -2.424 13.775 3.631 1.00 0.00 C ATOM 580 OH TYR A 60 -3.482 14.517 4.047 1.00 0.00 O ATOM 0 H TYR A 60 1.455 8.490 2.107 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.098 9.729 4.258 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.586 11.127 2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.710 10.779 1.483 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.332 12.222 4.891 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.250 12.103 0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.454 13.801 5.565 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.106 13.610 1.582 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.079 14.689 3.289 1.00 0.00 H new ATOM 590 N THR A 61 -1.282 8.672 1.375 1.00 0.00 N ATOM 591 CA THR A 61 -2.478 8.552 0.563 1.00 0.00 C ATOM 592 C THR A 61 -3.468 7.536 1.132 1.00 0.00 C ATOM 593 O THR A 61 -3.104 6.408 1.470 1.00 0.00 O ATOM 594 CB THR A 61 -2.102 8.265 -0.877 1.00 0.00 C ATOM 595 OG1 THR A 61 -0.794 8.689 -1.205 1.00 0.00 O ATOM 596 CG2 THR A 61 -3.035 8.960 -1.863 1.00 0.00 C ATOM 0 H THR A 61 -0.451 8.241 0.969 1.00 0.00 H new ATOM 0 HA THR A 61 -3.004 9.507 0.585 1.00 0.00 H new ATOM 0 HB THR A 61 -2.177 7.181 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.150 8.001 -0.937 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.727 8.726 -2.882 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.056 8.614 -1.704 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.989 10.038 -1.709 1.00 0.00 H new ATOM 604 N ARG A 62 -4.746 7.934 1.216 1.00 0.00 N ATOM 605 CA ARG A 62 -5.790 7.147 1.866 1.00 0.00 C ATOM 606 C ARG A 62 -5.834 5.694 1.378 1.00 0.00 C ATOM 607 O ARG A 62 -5.728 4.815 2.231 1.00 0.00 O ATOM 608 CB ARG A 62 -7.173 7.825 1.750 1.00 0.00 C ATOM 609 CG ARG A 62 -7.969 7.765 3.066 1.00 0.00 C ATOM 610 CD ARG A 62 -7.810 9.082 3.841 1.00 0.00 C ATOM 611 NE ARG A 62 -8.369 9.033 5.200 1.00 0.00 N ATOM 612 CZ ARG A 62 -9.654 8.994 5.568 1.00 0.00 C ATOM 613 NH1 ARG A 62 -10.623 8.941 4.664 1.00 0.00 N ATOM 614 NH2 ARG A 62 -9.989 8.990 6.855 1.00 0.00 N ATOM 0 H ARG A 62 -5.080 8.817 0.831 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.527 7.109 2.923 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.040 8.866 1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.747 7.341 0.959 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.023 7.584 2.854 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.618 6.932 3.674 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.751 9.334 3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.297 9.883 3.285 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.689 9.028 5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.393 8.929 3.670 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.598 8.912 4.963 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.263 9.017 7.571 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.972 8.960 7.126 1.00 0.00 H new ATOM 628 N PRO A 63 -5.981 5.382 0.074 1.00 0.00 N ATOM 629 CA PRO A 63 -6.131 3.995 -0.354 1.00 0.00 C ATOM 630 C PRO A 63 -4.832 3.216 -0.151 1.00 0.00 C ATOM 631 O PRO A 63 -4.871 2.029 0.157 1.00 0.00 O ATOM 632 CB PRO A 63 -6.524 4.059 -1.833 1.00 0.00 C ATOM 633 CG PRO A 63 -5.937 5.380 -2.310 1.00 0.00 C ATOM 634 CD PRO A 63 -6.058 6.274 -1.077 1.00 0.00 C ATOM 0 HA PRO A 63 -6.887 3.471 0.232 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.117 3.216 -2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.606 4.033 -1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.900 5.270 -2.628 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.490 5.785 -3.158 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.258 7.014 -1.051 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.000 6.823 -1.083 1.00 0.00 H new ATOM 642 N HIS A 64 -3.685 3.880 -0.291 1.00 0.00 N ATOM 643 CA HIS A 64 -2.387 3.255 -0.144 1.00 0.00 C ATOM 644 C HIS A 64 -2.214 2.769 1.305 1.00 0.00 C ATOM 645 O HIS A 64 -1.861 1.617 1.554 1.00 0.00 O ATOM 646 CB HIS A 64 -1.297 4.252 -0.571 1.00 0.00 C ATOM 647 CG HIS A 64 -1.402 4.830 -1.967 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.606 5.845 -2.444 1.00 0.00 N ATOM 649 CD2 HIS A 64 -2.242 4.467 -2.984 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.940 6.087 -3.720 1.00 0.00 C ATOM 651 NE2 HIS A 64 -1.973 5.302 -4.074 1.00 0.00 N ATOM 0 H HIS A 64 -3.639 4.875 -0.511 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.301 2.380 -0.789 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.298 5.079 0.139 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.331 3.756 -0.482 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.118 6.332 -1.915 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.979 3.679 -2.951 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.453 6.803 -4.365 1.00 0.00 H new ATOM 659 N ARG A 65 -2.531 3.620 2.284 1.00 0.00 N ATOM 660 CA ARG A 65 -2.416 3.276 3.694 1.00 0.00 C ATOM 661 C ARG A 65 -3.293 2.105 4.081 1.00 0.00 C ATOM 662 O ARG A 65 -2.818 1.164 4.719 1.00 0.00 O ATOM 663 CB ARG A 65 -2.748 4.494 4.551 1.00 0.00 C ATOM 664 CG ARG A 65 -1.893 4.444 5.820 1.00 0.00 C ATOM 665 CD ARG A 65 -2.134 5.658 6.710 1.00 0.00 C ATOM 666 NE ARG A 65 -3.569 5.844 6.972 1.00 0.00 N ATOM 667 CZ ARG A 65 -4.257 6.972 6.778 1.00 0.00 C ATOM 668 NH1 ARG A 65 -3.642 8.123 6.511 1.00 0.00 N ATOM 669 NH2 ARG A 65 -5.579 6.943 6.827 1.00 0.00 N ATOM 0 H ARG A 65 -2.874 4.566 2.116 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.385 2.969 3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.550 5.412 3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.807 4.499 4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.120 3.534 6.376 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.839 4.396 5.547 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.602 5.533 7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.730 6.550 6.232 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.084 5.041 7.334 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.624 8.156 6.451 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.189 8.972 6.367 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.063 6.065 7.012 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.114 7.799 6.680 1.00 0.00 H new ATOM 683 N HIS A 66 -4.565 2.166 3.699 1.00 0.00 N ATOM 684 CA HIS A 66 -5.520 1.095 3.856 1.00 0.00 C ATOM 685 C HIS A 66 -4.948 -0.253 3.445 1.00 0.00 C ATOM 686 O HIS A 66 -5.073 -1.208 4.211 1.00 0.00 O ATOM 687 CB HIS A 66 -6.732 1.440 2.996 1.00 0.00 C ATOM 688 CG HIS A 66 -7.679 2.375 3.654 1.00 0.00 C ATOM 689 ND1 HIS A 66 -7.955 3.677 3.342 1.00 0.00 N ATOM 690 CD2 HIS A 66 -8.452 2.014 4.696 1.00 0.00 C ATOM 691 CE1 HIS A 66 -8.898 4.098 4.196 1.00 0.00 C ATOM 692 NE2 HIS A 66 -9.226 3.120 5.066 1.00 0.00 N ATOM 0 H HIS A 66 -4.964 2.994 3.258 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.791 1.004 4.908 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.389 1.881 2.060 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.260 0.521 2.741 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -7.524 4.226 2.598 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.471 1.041 5.164 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.336 5.085 4.189 1.00 0.00 H new ATOM 700 N ILE A 67 -4.326 -0.325 2.268 1.00 0.00 N ATOM 701 CA ILE A 67 -3.730 -1.551 1.765 1.00 0.00 C ATOM 702 C ILE A 67 -2.667 -2.028 2.744 1.00 0.00 C ATOM 703 O ILE A 67 -2.783 -3.155 3.211 1.00 0.00 O ATOM 704 CB ILE A 67 -3.185 -1.346 0.343 1.00 0.00 C ATOM 705 CG1 ILE A 67 -4.372 -1.119 -0.608 1.00 0.00 C ATOM 706 CG2 ILE A 67 -2.348 -2.551 -0.120 1.00 0.00 C ATOM 707 CD1 ILE A 67 -3.943 -0.448 -1.909 1.00 0.00 C ATOM 0 H ILE A 67 -4.224 0.471 1.639 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.487 -2.332 1.690 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.527 -0.477 0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.845 -2.075 -0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.121 -0.502 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.979 -2.371 -1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.504 -2.689 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.967 -3.448 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.813 -0.307 -2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.495 0.521 -1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.214 -1.077 -2.420 1.00 0.00 H new ATOM 719 N PHE A 68 -1.673 -1.198 3.085 1.00 0.00 N ATOM 720 CA PHE A 68 -0.617 -1.643 3.992 1.00 0.00 C ATOM 721 C PHE A 68 -1.194 -2.099 5.332 1.00 0.00 C ATOM 722 O PHE A 68 -0.701 -3.062 5.908 1.00 0.00 O ATOM 723 CB PHE A 68 0.441 -0.557 4.216 1.00 0.00 C ATOM 724 CG PHE A 68 1.725 -1.118 4.806 1.00 0.00 C ATOM 725 CD1 PHE A 68 2.585 -1.882 3.993 1.00 0.00 C ATOM 726 CD2 PHE A 68 2.062 -0.909 6.159 1.00 0.00 C ATOM 727 CE1 PHE A 68 3.788 -2.393 4.509 1.00 0.00 C ATOM 728 CE2 PHE A 68 3.260 -1.436 6.678 1.00 0.00 C ATOM 729 CZ PHE A 68 4.131 -2.167 5.851 1.00 0.00 C ATOM 0 H PHE A 68 -1.581 -0.238 2.754 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.130 -2.493 3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.663 -0.067 3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.040 0.206 4.883 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.318 -2.077 2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.400 -0.344 6.798 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.450 -2.961 3.872 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.511 -1.278 7.716 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.059 -2.553 6.246 1.00 0.00 H new ATOM 739 N THR A 69 -2.253 -1.451 5.818 1.00 0.00 N ATOM 740 CA THR A 69 -2.891 -1.828 7.070 1.00 0.00 C ATOM 741 C THR A 69 -3.532 -3.211 6.947 1.00 0.00 C ATOM 742 O THR A 69 -3.329 -4.049 7.825 1.00 0.00 O ATOM 743 CB THR A 69 -3.896 -0.733 7.484 1.00 0.00 C ATOM 744 OG1 THR A 69 -3.388 0.582 7.292 1.00 0.00 O ATOM 745 CG2 THR A 69 -4.271 -0.856 8.959 1.00 0.00 C ATOM 0 H THR A 69 -2.688 -0.654 5.354 1.00 0.00 H new ATOM 0 HA THR A 69 -2.146 -1.904 7.862 1.00 0.00 H new ATOM 0 HB THR A 69 -4.765 -0.886 6.843 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.456 0.824 6.345 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.980 -0.071 9.221 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.725 -1.830 9.139 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.375 -0.755 9.572 1.00 0.00 H new ATOM 753 N GLU A 70 -4.289 -3.487 5.882 1.00 0.00 N ATOM 754 CA GLU A 70 -4.981 -4.758 5.767 1.00 0.00 C ATOM 755 C GLU A 70 -4.013 -5.880 5.372 1.00 0.00 C ATOM 756 O GLU A 70 -4.207 -7.019 5.785 1.00 0.00 O ATOM 757 CB GLU A 70 -6.162 -4.600 4.798 1.00 0.00 C ATOM 758 CG GLU A 70 -7.393 -5.384 5.278 1.00 0.00 C ATOM 759 CD GLU A 70 -7.997 -4.713 6.517 1.00 0.00 C ATOM 760 OE1 GLU A 70 -8.828 -3.784 6.391 1.00 0.00 O ATOM 761 OE2 GLU A 70 -7.590 -5.041 7.648 1.00 0.00 O ATOM 0 H GLU A 70 -4.433 -2.850 5.098 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.386 -5.053 6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.416 -3.544 4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.870 -4.949 3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.136 -5.431 4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.111 -6.411 5.512 1.00 0.00 H new ATOM 768 N MET A 71 -2.938 -5.563 4.641 1.00 0.00 N ATOM 769 CA MET A 71 -1.827 -6.473 4.397 1.00 0.00 C ATOM 770 C MET A 71 -1.163 -6.811 5.731 1.00 0.00 C ATOM 771 O MET A 71 -0.963 -7.986 6.026 1.00 0.00 O ATOM 772 CB MET A 71 -0.778 -5.851 3.467 1.00 0.00 C ATOM 773 CG MET A 71 -1.171 -5.765 1.993 1.00 0.00 C ATOM 774 SD MET A 71 0.207 -5.173 0.974 1.00 0.00 S ATOM 775 CE MET A 71 -0.374 -5.623 -0.678 1.00 0.00 C ATOM 0 H MET A 71 -2.819 -4.652 4.198 1.00 0.00 H new ATOM 0 HA MET A 71 -2.221 -7.369 3.916 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.553 -4.846 3.824 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.141 -6.431 3.546 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.490 -6.747 1.642 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.023 -5.094 1.881 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.460 -5.591 -1.379 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.790 -6.630 -0.656 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.143 -4.920 -0.997 1.00 0.00 H new ATOM 785 N ALA A 72 -0.852 -5.802 6.553 1.00 0.00 N ATOM 786 CA ALA A 72 -0.250 -5.997 7.863 1.00 0.00 C ATOM 787 C ALA A 72 -1.137 -6.901 8.709 1.00 0.00 C ATOM 788 O ALA A 72 -0.623 -7.838 9.314 1.00 0.00 O ATOM 789 CB ALA A 72 0.000 -4.657 8.571 1.00 0.00 C ATOM 0 H ALA A 72 -1.015 -4.823 6.320 1.00 0.00 H new ATOM 0 HA ALA A 72 0.719 -6.477 7.728 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.450 -4.839 9.547 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.674 -4.047 7.969 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.946 -4.132 8.701 1.00 0.00 H new ATOM 795 N ARG A 73 -2.452 -6.642 8.756 1.00 0.00 N ATOM 796 CA ARG A 73 -3.380 -7.514 9.488 1.00 0.00 C ATOM 797 C ARG A 73 -3.426 -8.929 8.914 1.00 0.00 C ATOM 798 O ARG A 73 -3.462 -9.879 9.690 1.00 0.00 O ATOM 799 CB ARG A 73 -4.801 -6.936 9.548 1.00 0.00 C ATOM 800 CG ARG A 73 -4.881 -5.705 10.454 1.00 0.00 C ATOM 801 CD ARG A 73 -6.332 -5.367 10.797 1.00 0.00 C ATOM 802 NE ARG A 73 -6.426 -3.999 11.327 1.00 0.00 N ATOM 803 CZ ARG A 73 -6.809 -2.909 10.653 1.00 0.00 C ATOM 804 NH1 ARG A 73 -7.324 -2.986 9.429 1.00 0.00 N ATOM 805 NH2 ARG A 73 -6.646 -1.720 11.218 1.00 0.00 N ATOM 0 H ARG A 73 -2.893 -5.843 8.300 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.986 -7.567 10.503 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.126 -6.668 8.543 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.488 -7.700 9.912 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.320 -5.887 11.371 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.414 -4.854 9.959 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.955 -5.463 9.908 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.714 -6.076 11.532 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.174 -3.868 12.307 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.436 -3.895 8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.607 -2.137 8.940 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.235 -1.650 12.149 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.931 -0.876 10.721 1.00 0.00 H new ATOM 819 N LEU A 74 -3.434 -9.110 7.593 1.00 0.00 N ATOM 820 CA LEU A 74 -3.422 -10.431 6.989 1.00 0.00 C ATOM 821 C LEU A 74 -2.171 -11.185 7.399 1.00 0.00 C ATOM 822 O LEU A 74 -2.275 -12.313 7.880 1.00 0.00 O ATOM 823 CB LEU A 74 -3.494 -10.293 5.464 1.00 0.00 C ATOM 824 CG LEU A 74 -4.928 -10.169 4.937 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.892 -9.678 3.489 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.676 -11.508 5.002 1.00 0.00 C ATOM 0 H LEU A 74 -3.449 -8.345 6.919 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.287 -10.996 7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.924 -9.416 5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.018 -11.159 5.004 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.459 -9.457 5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.910 -9.588 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.402 -8.705 3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.338 -10.390 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.688 -11.378 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.152 -12.247 4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.720 -11.851 6.036 1.00 0.00 H new ATOM 838 N GLN A 75 -1.011 -10.551 7.267 1.00 0.00 N ATOM 839 CA GLN A 75 0.267 -11.107 7.668 1.00 0.00 C ATOM 840 C GLN A 75 0.262 -11.442 9.154 1.00 0.00 C ATOM 841 O GLN A 75 0.802 -12.469 9.556 1.00 0.00 O ATOM 842 CB GLN A 75 1.340 -10.053 7.369 1.00 0.00 C ATOM 843 CG GLN A 75 2.784 -10.550 7.486 1.00 0.00 C ATOM 844 CD GLN A 75 3.112 -11.711 6.554 1.00 0.00 C ATOM 845 OE1 GLN A 75 2.857 -12.869 6.880 1.00 0.00 O ATOM 846 NE2 GLN A 75 3.699 -11.442 5.401 1.00 0.00 N ATOM 0 H GLN A 75 -0.936 -9.615 6.869 1.00 0.00 H new ATOM 0 HA GLN A 75 0.467 -12.029 7.122 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.183 -9.672 6.360 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.204 -9.214 8.051 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.461 -9.723 7.273 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.970 -10.858 8.515 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.903 -10.476 5.146 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.948 -12.201 4.766 1.00 0.00 H new ATOM 855 N GLU A 76 -0.372 -10.596 9.962 1.00 0.00 N ATOM 856 CA GLU A 76 -0.547 -10.817 11.394 1.00 0.00 C ATOM 857 C GLU A 76 -1.339 -12.096 11.670 1.00 0.00 C ATOM 858 O GLU A 76 -1.022 -12.809 12.622 1.00 0.00 O ATOM 859 CB GLU A 76 -1.220 -9.610 12.064 1.00 0.00 C ATOM 860 CG GLU A 76 -1.088 -9.625 13.590 1.00 0.00 C ATOM 861 CD GLU A 76 0.218 -8.978 14.038 1.00 0.00 C ATOM 862 OE1 GLU A 76 1.286 -9.625 13.992 1.00 0.00 O ATOM 863 OE2 GLU A 76 0.177 -7.790 14.441 1.00 0.00 O ATOM 0 H GLU A 76 -0.785 -9.723 9.634 1.00 0.00 H new ATOM 0 HA GLU A 76 0.446 -10.937 11.827 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.779 -8.692 11.675 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.276 -9.594 11.796 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.930 -9.096 14.036 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.130 -10.653 13.951 1.00 0.00 H new ATOM 870 N SER A 77 -2.298 -12.457 10.816 1.00 0.00 N ATOM 871 CA SER A 77 -3.007 -13.732 10.940 1.00 0.00 C ATOM 872 C SER A 77 -2.215 -14.884 10.290 1.00 0.00 C ATOM 873 O SER A 77 -2.577 -16.051 10.444 1.00 0.00 O ATOM 874 CB SER A 77 -4.436 -13.619 10.375 1.00 0.00 C ATOM 875 OG SER A 77 -4.565 -12.669 9.330 1.00 0.00 O ATOM 0 H SER A 77 -2.602 -11.883 10.029 1.00 0.00 H new ATOM 0 HA SER A 77 -3.093 -13.971 12.000 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.749 -14.596 10.006 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.116 -13.351 11.183 1.00 0.00 H new ATOM 0 HG SER A 77 -3.771 -12.703 8.757 1.00 0.00 H new ATOM 881 N GLY A 78 -1.100 -14.583 9.621 1.00 0.00 N ATOM 882 CA GLY A 78 -0.314 -15.530 8.848 1.00 0.00 C ATOM 883 C GLY A 78 -1.024 -15.898 7.550 1.00 0.00 C ATOM 884 O GLY A 78 -0.956 -17.048 7.113 1.00 0.00 O ATOM 0 H GLY A 78 -0.712 -13.640 9.606 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.662 -15.100 8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.138 -16.429 9.438 1.00 0.00 H new ATOM 888 N SER A 79 -1.724 -14.937 6.958 1.00 0.00 N ATOM 889 CA SER A 79 -2.448 -15.075 5.705 1.00 0.00 C ATOM 890 C SER A 79 -1.671 -14.310 4.630 1.00 0.00 C ATOM 891 O SER A 79 -0.961 -13.357 4.969 1.00 0.00 O ATOM 892 CB SER A 79 -3.856 -14.495 5.876 1.00 0.00 C ATOM 893 OG SER A 79 -4.515 -15.052 7.003 1.00 0.00 O ATOM 0 H SER A 79 -1.804 -14.002 7.357 1.00 0.00 H new ATOM 0 HA SER A 79 -2.541 -16.121 5.413 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.794 -13.413 5.988 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.442 -14.689 4.978 1.00 0.00 H new ATOM 0 HG SER A 79 -4.554 -14.386 7.721 1.00 0.00 H new ATOM 899 N PRO A 80 -1.794 -14.681 3.344 1.00 0.00 N ATOM 900 CA PRO A 80 -1.047 -14.013 2.296 1.00 0.00 C ATOM 901 C PRO A 80 -1.534 -12.586 2.099 1.00 0.00 C ATOM 902 O PRO A 80 -2.707 -12.275 2.309 1.00 0.00 O ATOM 903 CB PRO A 80 -1.252 -14.841 1.028 1.00 0.00 C ATOM 904 CG PRO A 80 -2.587 -15.524 1.274 1.00 0.00 C ATOM 905 CD PRO A 80 -2.603 -15.754 2.788 1.00 0.00 C ATOM 0 HA PRO A 80 0.010 -13.943 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.278 -14.214 0.137 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.449 -15.565 0.885 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.421 -14.899 0.955 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.664 -16.463 0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.620 -15.725 3.180 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.191 -16.731 3.043 1.00 0.00 H new ATOM 913 N ILE A 81 -0.634 -11.758 1.580 1.00 0.00 N ATOM 914 CA ILE A 81 -0.899 -10.384 1.170 1.00 0.00 C ATOM 915 C ILE A 81 -1.151 -10.322 -0.345 1.00 0.00 C ATOM 916 O ILE A 81 -1.007 -9.268 -0.966 1.00 0.00 O ATOM 917 CB ILE A 81 0.223 -9.458 1.694 1.00 0.00 C ATOM 918 CG1 ILE A 81 1.598 -9.781 1.071 1.00 0.00 C ATOM 919 CG2 ILE A 81 0.269 -9.530 3.237 1.00 0.00 C ATOM 920 CD1 ILE A 81 2.688 -8.800 1.513 1.00 0.00 C ATOM 0 H ILE A 81 0.336 -12.036 1.428 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.818 -10.009 1.622 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.010 -8.438 1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.890 -10.793 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.515 -9.761 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.059 -8.878 3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.689 -9.208 3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.469 -10.555 3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.634 -9.073 1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.412 -7.790 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.794 -8.838 2.597 1.00 0.00 H new ATOM 932 N ASP A 82 -1.546 -11.455 -0.937 1.00 0.00 N ATOM 933 CA ASP A 82 -1.884 -11.558 -2.353 1.00 0.00 C ATOM 934 C ASP A 82 -3.091 -10.699 -2.703 1.00 0.00 C ATOM 935 O ASP A 82 -3.979 -10.513 -1.873 1.00 0.00 O ATOM 936 CB ASP A 82 -2.205 -13.013 -2.723 1.00 0.00 C ATOM 937 CG ASP A 82 -1.786 -13.358 -4.150 1.00 0.00 C ATOM 938 OD1 ASP A 82 -1.835 -12.474 -5.035 1.00 0.00 O ATOM 939 OD2 ASP A 82 -1.488 -14.547 -4.399 1.00 0.00 O ATOM 0 H ASP A 82 -1.640 -12.337 -0.434 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.018 -11.206 -2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.699 -13.682 -2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.275 -13.186 -2.610 1.00 0.00 H new ATOM 944 N LEU A 83 -3.147 -10.236 -3.953 1.00 0.00 N ATOM 945 CA LEU A 83 -4.150 -9.326 -4.498 1.00 0.00 C ATOM 946 C LEU A 83 -5.557 -9.802 -4.134 1.00 0.00 C ATOM 947 O LEU A 83 -6.321 -9.036 -3.546 1.00 0.00 O ATOM 948 CB LEU A 83 -3.866 -9.134 -6.008 1.00 0.00 C ATOM 949 CG LEU A 83 -4.950 -8.544 -6.946 1.00 0.00 C ATOM 950 CD1 LEU A 83 -5.651 -9.645 -7.727 1.00 0.00 C ATOM 951 CD2 LEU A 83 -5.916 -7.538 -6.322 1.00 0.00 C ATOM 0 H LEU A 83 -2.452 -10.503 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.089 -8.333 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.987 -8.495 -6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.590 -10.109 -6.409 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.398 -7.918 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.407 -9.205 -8.378 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.921 -10.184 -8.331 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.128 -10.336 -7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.625 -7.198 -7.077 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.457 -8.013 -5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.356 -6.684 -5.940 1.00 0.00 H new ATOM 963 N ILE A 84 -5.922 -11.052 -4.427 1.00 0.00 N ATOM 964 CA ILE A 84 -7.242 -11.548 -4.169 1.00 0.00 C ATOM 965 C ILE A 84 -7.537 -11.586 -2.668 1.00 0.00 C ATOM 966 O ILE A 84 -8.572 -11.083 -2.242 1.00 0.00 O ATOM 967 CB ILE A 84 -7.372 -12.911 -4.853 1.00 0.00 C ATOM 968 CG1 ILE A 84 -6.747 -13.020 -6.268 1.00 0.00 C ATOM 969 CG2 ILE A 84 -8.867 -13.243 -4.973 1.00 0.00 C ATOM 970 CD1 ILE A 84 -5.226 -13.015 -6.486 1.00 0.00 C ATOM 0 H ILE A 84 -5.296 -11.737 -4.851 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.997 -10.880 -4.584 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.813 -13.607 -4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.125 -13.942 -6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.152 -12.196 -6.855 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.987 -14.212 -5.458 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.313 -13.277 -3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.364 -12.476 -5.567 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.011 -13.101 -7.551 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.807 -12.084 -6.105 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.780 -13.857 -5.957 1.00 0.00 H new ATOM 982 N THR A 85 -6.644 -12.156 -1.863 1.00 0.00 N ATOM 983 CA THR A 85 -6.837 -12.295 -0.425 1.00 0.00 C ATOM 984 C THR A 85 -6.942 -10.930 0.256 1.00 0.00 C ATOM 985 O THR A 85 -7.781 -10.732 1.132 1.00 0.00 O ATOM 986 CB THR A 85 -5.742 -13.181 0.193 1.00 0.00 C ATOM 987 OG1 THR A 85 -5.677 -14.390 -0.546 1.00 0.00 O ATOM 988 CG2 THR A 85 -6.059 -13.515 1.656 1.00 0.00 C ATOM 0 H THR A 85 -5.758 -12.537 -2.195 1.00 0.00 H new ATOM 0 HA THR A 85 -7.788 -12.800 -0.254 1.00 0.00 H new ATOM 0 HB THR A 85 -4.794 -12.644 0.159 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.385 -15.118 0.042 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.267 -14.142 2.066 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.127 -12.593 2.233 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.009 -14.048 1.710 1.00 0.00 H new ATOM 996 N LEU A 86 -6.132 -9.972 -0.181 1.00 0.00 N ATOM 997 CA LEU A 86 -6.144 -8.579 0.233 1.00 0.00 C ATOM 998 C LEU A 86 -7.503 -7.965 -0.024 1.00 0.00 C ATOM 999 O LEU A 86 -8.123 -7.413 0.882 1.00 0.00 O ATOM 1000 CB LEU A 86 -5.057 -7.852 -0.566 1.00 0.00 C ATOM 1001 CG LEU A 86 -5.039 -6.325 -0.419 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.742 -5.900 1.022 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -4.005 -5.783 -1.405 1.00 0.00 C ATOM 0 H LEU A 86 -5.408 -10.161 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.946 -8.493 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.085 -8.240 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.181 -8.097 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.021 -5.910 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.737 -4.812 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.509 -6.300 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.767 -6.285 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.964 -4.696 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.026 -6.200 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.287 -6.065 -2.419 1.00 0.00 H new ATOM 1015 N ALA A 87 -7.946 -8.055 -1.271 1.00 0.00 N ATOM 1016 CA ALA A 87 -9.204 -7.493 -1.725 1.00 0.00 C ATOM 1017 C ALA A 87 -10.378 -8.133 -0.994 1.00 0.00 C ATOM 1018 O ALA A 87 -11.358 -7.455 -0.678 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.355 -7.722 -3.223 1.00 0.00 C ATOM 0 H ALA A 87 -7.427 -8.532 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.201 -6.424 -1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.301 -7.299 -3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.532 -7.239 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.341 -8.792 -3.431 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.290 -9.436 -0.739 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.252 -10.164 0.055 1.00 0.00 C ATOM 1027 C GLU A 88 -11.255 -9.635 1.486 1.00 0.00 C ATOM 1028 O GLU A 88 -12.320 -9.339 2.019 1.00 0.00 O ATOM 1029 CB GLU A 88 -11.005 -11.675 -0.019 1.00 0.00 C ATOM 1030 CG GLU A 88 -11.685 -12.277 -1.267 1.00 0.00 C ATOM 1031 CD GLU A 88 -11.853 -13.799 -1.220 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -11.885 -14.390 -0.114 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -12.109 -14.409 -2.287 1.00 0.00 O ATOM 0 H GLU A 88 -9.530 -10.019 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.249 -10.001 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.934 -11.872 -0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.391 -12.156 0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.666 -11.818 -1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.099 -12.015 -2.148 1.00 0.00 H new ATOM 1040 N SER A 89 -10.082 -9.467 2.096 1.00 0.00 N ATOM 1041 CA SER A 89 -9.965 -9.004 3.474 1.00 0.00 C ATOM 1042 C SER A 89 -10.584 -7.613 3.599 1.00 0.00 C ATOM 1043 O SER A 89 -11.396 -7.351 4.488 1.00 0.00 O ATOM 1044 CB SER A 89 -8.488 -9.021 3.889 1.00 0.00 C ATOM 1045 OG SER A 89 -8.339 -9.089 5.295 1.00 0.00 O ATOM 0 H SER A 89 -9.185 -9.649 1.645 1.00 0.00 H new ATOM 0 HA SER A 89 -10.508 -9.666 4.148 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.991 -9.875 3.429 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.994 -8.124 3.514 1.00 0.00 H new ATOM 0 HG SER A 89 -7.509 -8.639 5.558 1.00 0.00 H new ATOM 1051 N LEU A 90 -10.235 -6.736 2.659 1.00 0.00 N ATOM 1052 CA LEU A 90 -10.737 -5.382 2.586 1.00 0.00 C ATOM 1053 C LEU A 90 -12.252 -5.393 2.441 1.00 0.00 C ATOM 1054 O LEU A 90 -12.902 -4.635 3.153 1.00 0.00 O ATOM 1055 CB LEU A 90 -10.059 -4.633 1.432 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.607 -4.226 1.757 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -7.865 -3.938 0.457 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -8.537 -2.979 2.650 1.00 0.00 C ATOM 0 H LEU A 90 -9.578 -6.962 1.912 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.498 -4.855 3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.065 -5.263 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.638 -3.740 1.194 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.148 -5.054 2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.838 -3.650 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.863 -4.832 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.362 -3.126 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.494 -2.733 2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.017 -2.141 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.051 -3.176 3.591 1.00 0.00 H new ATOM 1070 N GLU A 91 -12.853 -6.196 1.555 1.00 0.00 N ATOM 1071 CA GLU A 91 -14.316 -6.222 1.482 1.00 0.00 C ATOM 1072 C GLU A 91 -14.976 -6.791 2.734 1.00 0.00 C ATOM 1073 O GLU A 91 -16.055 -6.306 3.078 1.00 0.00 O ATOM 1074 CB GLU A 91 -14.873 -6.895 0.224 1.00 0.00 C ATOM 1075 CG GLU A 91 -14.713 -8.415 0.153 1.00 0.00 C ATOM 1076 CD GLU A 91 -15.681 -9.024 -0.849 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -16.852 -9.281 -0.483 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -15.300 -9.209 -2.029 1.00 0.00 O ATOM 0 H GLU A 91 -12.371 -6.814 0.902 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.584 -5.168 1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -15.934 -6.657 0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.384 -6.457 -0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.690 -8.663 -0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.885 -8.848 1.138 1.00 0.00 H new ATOM 1085 N ARG A 92 -14.355 -7.756 3.428 1.00 0.00 N ATOM 1086 CA ARG A 92 -14.896 -8.258 4.692 1.00 0.00 C ATOM 1087 C ARG A 92 -14.954 -7.106 5.686 1.00 0.00 C ATOM 1088 O ARG A 92 -15.948 -6.925 6.390 1.00 0.00 O ATOM 1089 CB ARG A 92 -14.053 -9.395 5.296 1.00 0.00 C ATOM 1090 CG ARG A 92 -13.717 -10.586 4.385 1.00 0.00 C ATOM 1091 CD ARG A 92 -14.104 -11.934 5.008 1.00 0.00 C ATOM 1092 NE ARG A 92 -15.563 -12.082 5.113 1.00 0.00 N ATOM 1093 CZ ARG A 92 -16.406 -12.220 4.082 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -15.953 -12.421 2.845 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -17.712 -12.156 4.297 1.00 0.00 N ATOM 0 H ARG A 92 -13.484 -8.199 3.135 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.887 -8.664 4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.115 -8.967 5.651 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.580 -9.778 6.170 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.235 -10.468 3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.649 -10.583 4.169 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.698 -12.745 4.403 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.657 -12.020 5.998 1.00 0.00 H new ATOM 0 HE ARG A 92 -15.967 -12.079 6.050 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.949 -12.472 2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.610 -12.524 2.072 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -18.067 -12.003 5.241 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -18.363 -12.260 3.518 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.890 -6.309 5.716 1.00 0.00 N ATOM 1110 CA GLN A 93 -13.753 -5.118 6.531 1.00 0.00 C ATOM 1111 C GLN A 93 -14.591 -3.944 5.991 1.00 0.00 C ATOM 1112 O GLN A 93 -14.660 -2.911 6.656 1.00 0.00 O ATOM 1113 CB GLN A 93 -12.257 -4.759 6.581 1.00 0.00 C ATOM 1114 CG GLN A 93 -11.404 -5.790 7.348 1.00 0.00 C ATOM 1115 CD GLN A 93 -11.077 -5.310 8.758 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -11.609 -5.812 9.749 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -10.201 -4.334 8.887 1.00 0.00 N ATOM 0 H GLN A 93 -13.065 -6.489 5.144 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.133 -5.316 7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.878 -4.671 5.563 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.141 -3.782 7.050 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.939 -6.738 7.401 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.479 -5.976 6.802 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.767 -3.926 8.059 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.957 -3.987 9.815 1.00 0.00 H new ATOM 1126 N GLY A 94 -15.214 -4.050 4.811 1.00 0.00 N ATOM 1127 CA GLY A 94 -15.936 -2.947 4.184 1.00 0.00 C ATOM 1128 C GLY A 94 -15.016 -1.811 3.725 1.00 0.00 C ATOM 1129 O GLY A 94 -15.498 -0.728 3.395 1.00 0.00 O ATOM 0 H GLY A 94 -15.229 -4.911 4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.492 -3.325 3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.667 -2.552 4.889 1.00 0.00 H new ATOM 1133 N GLN A 95 -13.709 -2.065 3.664 1.00 0.00 N ATOM 1134 CA GLN A 95 -12.641 -1.142 3.313 1.00 0.00 C ATOM 1135 C GLN A 95 -12.295 -1.226 1.817 1.00 0.00 C ATOM 1136 O GLN A 95 -11.447 -0.462 1.356 1.00 0.00 O ATOM 1137 CB GLN A 95 -11.394 -1.503 4.145 1.00 0.00 C ATOM 1138 CG GLN A 95 -11.541 -1.335 5.665 1.00 0.00 C ATOM 1139 CD GLN A 95 -11.391 0.111 6.115 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -12.241 0.956 5.840 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -10.314 0.440 6.811 1.00 0.00 N ATOM 0 H GLN A 95 -13.346 -2.995 3.876 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.971 -0.125 3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.127 -2.539 3.936 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.562 -0.885 3.808 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.517 -1.708 5.975 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.792 -1.947 6.168 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -9.615 -0.268 7.034 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.183 1.402 7.124 1.00 0.00 H new ATOM 1150 N LEU A 96 -12.918 -2.119 1.036 1.00 0.00 N ATOM 1151 CA LEU A 96 -12.639 -2.235 -0.397 1.00 0.00 C ATOM 1152 C LEU A 96 -12.937 -0.907 -1.102 1.00 0.00 C ATOM 1153 O LEU A 96 -12.160 -0.429 -1.926 1.00 0.00 O ATOM 1154 CB LEU A 96 -13.407 -3.400 -1.027 1.00 0.00 C ATOM 1155 CG LEU A 96 -12.942 -3.667 -2.472 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -11.487 -4.151 -2.555 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -13.833 -4.727 -3.104 1.00 0.00 C ATOM 0 H LEU A 96 -13.622 -2.774 1.377 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.579 -2.456 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.265 -4.298 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.474 -3.179 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.010 -2.717 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.219 -4.321 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.827 -3.395 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.380 -5.081 -1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.505 -4.916 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.768 -5.649 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.865 -4.376 -3.114 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.037 -0.261 -0.733 1.00 0.00 N ATOM 1170 CA ASP A 97 -14.413 1.038 -1.276 1.00 0.00 C ATOM 1171 C ASP A 97 -13.467 2.150 -0.809 1.00 0.00 C ATOM 1172 O ASP A 97 -13.276 3.137 -1.527 1.00 0.00 O ATOM 1173 CB ASP A 97 -15.864 1.356 -0.889 1.00 0.00 C ATOM 1174 CG ASP A 97 -16.799 1.383 -2.095 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -16.674 0.548 -3.023 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -17.720 2.225 -2.086 1.00 0.00 O ATOM 0 H ASP A 97 -14.696 -0.626 -0.045 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.331 0.990 -2.362 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.218 0.611 -0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.899 2.322 -0.385 1.00 0.00 H new ATOM 1181 N SER A 98 -12.837 1.997 0.363 1.00 0.00 N ATOM 1182 CA SER A 98 -11.811 2.911 0.852 1.00 0.00 C ATOM 1183 C SER A 98 -10.511 2.794 0.050 1.00 0.00 C ATOM 1184 O SER A 98 -9.813 3.800 -0.104 1.00 0.00 O ATOM 1185 CB SER A 98 -11.537 2.669 2.339 1.00 0.00 C ATOM 1186 OG SER A 98 -12.566 3.195 3.156 1.00 0.00 O ATOM 0 H SER A 98 -13.031 1.225 1.001 1.00 0.00 H new ATOM 0 HA SER A 98 -12.192 3.924 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.440 1.599 2.521 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.586 3.127 2.612 1.00 0.00 H new ATOM 0 HG SER A 98 -12.358 3.020 4.098 1.00 0.00 H new ATOM 1192 N VAL A 99 -10.180 1.620 -0.499 1.00 0.00 N ATOM 1193 CA VAL A 99 -8.987 1.473 -1.333 1.00 0.00 C ATOM 1194 C VAL A 99 -9.259 1.847 -2.791 1.00 0.00 C ATOM 1195 O VAL A 99 -8.326 1.844 -3.584 1.00 0.00 O ATOM 1196 CB VAL A 99 -8.335 0.086 -1.191 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -7.926 -0.139 0.271 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -9.227 -1.049 -1.680 1.00 0.00 C ATOM 0 H VAL A 99 -10.720 0.763 -0.380 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.254 2.188 -0.959 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.453 0.074 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.464 -1.121 0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.214 0.630 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.809 -0.086 0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.709 -2.000 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.152 -1.059 -1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.459 -0.901 -2.735 1.00 0.00 H new ATOM 1208 N GLY A 100 -10.500 2.186 -3.153 1.00 0.00 N ATOM 1209 CA GLY A 100 -10.847 2.555 -4.518 1.00 0.00 C ATOM 1210 C GLY A 100 -11.382 1.387 -5.345 1.00 0.00 C ATOM 1211 O GLY A 100 -11.509 1.522 -6.567 1.00 0.00 O ATOM 0 H GLY A 100 -11.287 2.211 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.596 3.346 -4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.966 2.966 -5.011 1.00 0.00 H new ATOM 1215 N GLY A 101 -11.729 0.269 -4.701 1.00 0.00 N ATOM 1216 CA GLY A 101 -12.327 -0.895 -5.334 1.00 0.00 C ATOM 1217 C GLY A 101 -11.284 -1.947 -5.700 1.00 0.00 C ATOM 1218 O GLY A 101 -10.082 -1.670 -5.706 1.00 0.00 O ATOM 0 H GLY A 101 -11.595 0.152 -3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.064 -1.334 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.860 -0.585 -6.233 1.00 0.00 H new ATOM 1222 N PHE A 102 -11.743 -3.150 -6.070 1.00 0.00 N ATOM 1223 CA PHE A 102 -10.859 -4.225 -6.524 1.00 0.00 C ATOM 1224 C PHE A 102 -10.018 -3.739 -7.706 1.00 0.00 C ATOM 1225 O PHE A 102 -8.814 -3.973 -7.744 1.00 0.00 O ATOM 1226 CB PHE A 102 -11.653 -5.497 -6.882 1.00 0.00 C ATOM 1227 CG PHE A 102 -10.783 -6.730 -7.104 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -9.911 -6.814 -8.209 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -10.792 -7.782 -6.167 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -8.968 -7.852 -8.289 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -9.871 -8.839 -6.267 1.00 0.00 C ATOM 1232 CZ PHE A 102 -8.918 -8.842 -7.297 1.00 0.00 C ATOM 0 H PHE A 102 -12.731 -3.402 -6.062 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.189 -4.492 -5.707 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.364 -5.706 -6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.234 -5.308 -7.784 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.968 -6.077 -8.997 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -11.514 -7.776 -5.364 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.278 -7.888 -9.119 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -9.897 -9.648 -5.552 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.151 -9.602 -7.326 1.00 0.00 H new ATOM 1242 N ALA A 103 -10.627 -3.015 -8.650 1.00 0.00 N ATOM 1243 CA ALA A 103 -9.933 -2.501 -9.823 1.00 0.00 C ATOM 1244 C ALA A 103 -8.812 -1.504 -9.487 1.00 0.00 C ATOM 1245 O ALA A 103 -7.985 -1.226 -10.356 1.00 0.00 O ATOM 1246 CB ALA A 103 -10.949 -1.863 -10.770 1.00 0.00 C ATOM 0 H ALA A 103 -11.617 -2.771 -8.617 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.443 -3.348 -10.303 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.434 -1.477 -11.650 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.680 -2.611 -11.077 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.459 -1.046 -10.260 1.00 0.00 H new ATOM 1252 N TYR A 104 -8.749 -0.953 -8.270 1.00 0.00 N ATOM 1253 CA TYR A 104 -7.585 -0.188 -7.841 1.00 0.00 C ATOM 1254 C TYR A 104 -6.476 -1.151 -7.432 1.00 0.00 C ATOM 1255 O TYR A 104 -5.358 -1.028 -7.910 1.00 0.00 O ATOM 1256 CB TYR A 104 -7.945 0.781 -6.710 1.00 0.00 C ATOM 1257 CG TYR A 104 -6.964 1.930 -6.580 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -7.002 2.983 -7.514 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -6.020 1.956 -5.536 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -6.118 4.067 -7.398 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -5.135 3.042 -5.413 1.00 0.00 C ATOM 1262 CZ TYR A 104 -5.186 4.104 -6.341 1.00 0.00 C ATOM 1263 OH TYR A 104 -4.329 5.151 -6.211 1.00 0.00 O ATOM 0 H TYR A 104 -9.489 -1.025 -7.572 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.228 0.423 -8.671 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -8.944 1.181 -6.886 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -7.982 0.234 -5.768 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.715 2.956 -8.324 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -5.975 1.141 -4.829 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.152 4.872 -8.118 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.416 3.063 -4.608 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.705 4.973 -5.477 1.00 0.00 H new ATOM 1273 N LEU A 105 -6.779 -2.154 -6.606 1.00 0.00 N ATOM 1274 CA LEU A 105 -5.809 -3.156 -6.159 1.00 0.00 C ATOM 1275 C LEU A 105 -5.185 -3.887 -7.346 1.00 0.00 C ATOM 1276 O LEU A 105 -3.964 -4.042 -7.407 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.479 -4.167 -5.218 1.00 0.00 C ATOM 1278 CG LEU A 105 -7.153 -3.546 -3.987 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -7.890 -4.636 -3.215 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -6.116 -2.869 -3.094 1.00 0.00 C ATOM 0 H LEU A 105 -7.714 -2.295 -6.224 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.017 -2.636 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.226 -4.727 -5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.729 -4.883 -4.882 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.866 -2.788 -4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.371 -4.200 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.646 -5.088 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.180 -5.400 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.612 -2.434 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.384 -3.606 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.611 -2.083 -3.655 1.00 0.00 H new ATOM 1292 N ALA A 106 -6.024 -4.301 -8.298 1.00 0.00 N ATOM 1293 CA ALA A 106 -5.601 -4.922 -9.539 1.00 0.00 C ATOM 1294 C ALA A 106 -4.635 -4.001 -10.283 1.00 0.00 C ATOM 1295 O ALA A 106 -3.564 -4.436 -10.700 1.00 0.00 O ATOM 1296 CB ALA A 106 -6.834 -5.223 -10.395 1.00 0.00 C ATOM 0 H ALA A 106 -7.037 -4.208 -8.219 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.081 -5.856 -9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.523 -5.690 -11.330 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.496 -5.899 -9.854 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.362 -4.294 -10.612 1.00 0.00 H new ATOM 1302 N GLU A 107 -5.009 -2.727 -10.424 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.198 -1.731 -11.113 1.00 0.00 C ATOM 1304 C GLU A 107 -2.844 -1.601 -10.427 1.00 0.00 C ATOM 1305 O GLU A 107 -1.834 -1.667 -11.111 1.00 0.00 O ATOM 1306 CB GLU A 107 -4.926 -0.377 -11.193 1.00 0.00 C ATOM 1307 CG GLU A 107 -4.151 0.686 -11.988 1.00 0.00 C ATOM 1308 CD GLU A 107 -4.045 0.334 -13.471 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -5.101 0.198 -14.134 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -2.927 0.211 -14.014 1.00 0.00 O ATOM 0 H GLU A 107 -5.888 -2.360 -10.060 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.033 -2.062 -12.138 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.903 -0.525 -11.654 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.103 -0.008 -10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.646 1.651 -11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.150 0.793 -11.569 1.00 0.00 H new ATOM 1317 N LEU A 108 -2.806 -1.458 -9.098 1.00 0.00 N ATOM 1318 CA LEU A 108 -1.574 -1.301 -8.328 1.00 0.00 C ATOM 1319 C LEU A 108 -0.616 -2.450 -8.597 1.00 0.00 C ATOM 1320 O LEU A 108 0.554 -2.213 -8.912 1.00 0.00 O ATOM 1321 CB LEU A 108 -1.873 -1.217 -6.824 1.00 0.00 C ATOM 1322 CG LEU A 108 -2.602 0.064 -6.390 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -2.955 -0.062 -4.913 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -1.749 1.309 -6.584 1.00 0.00 C ATOM 0 H LEU A 108 -3.647 -1.448 -8.520 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.105 -0.370 -8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.477 -2.078 -6.538 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.934 -1.289 -6.275 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.492 0.173 -7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.474 0.839 -4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.601 -0.927 -4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.042 -0.188 -4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.309 2.187 -6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.838 1.222 -5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.488 1.411 -7.637 1.00 0.00 H new ATOM 1336 N SER A 109 -1.117 -3.684 -8.513 1.00 0.00 N ATOM 1337 CA SER A 109 -0.352 -4.883 -8.824 1.00 0.00 C ATOM 1338 C SER A 109 0.231 -4.731 -10.235 1.00 0.00 C ATOM 1339 O SER A 109 1.448 -4.772 -10.433 1.00 0.00 O ATOM 1340 CB SER A 109 -1.280 -6.101 -8.678 1.00 0.00 C ATOM 1341 OG SER A 109 -0.581 -7.315 -8.857 1.00 0.00 O ATOM 0 H SER A 109 -2.076 -3.876 -8.224 1.00 0.00 H new ATOM 0 HA SER A 109 0.485 -5.029 -8.141 1.00 0.00 H new ATOM 0 HB2 SER A 109 -1.743 -6.090 -7.691 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.086 -6.034 -9.409 1.00 0.00 H new ATOM 0 HG SER A 109 -1.201 -8.067 -8.756 1.00 0.00 H new ATOM 1347 N LYS A 110 -0.625 -4.464 -11.222 1.00 0.00 N ATOM 1348 CA LYS A 110 -0.277 -4.299 -12.635 1.00 0.00 C ATOM 1349 C LYS A 110 0.469 -2.993 -12.927 1.00 0.00 C ATOM 1350 O LYS A 110 0.752 -2.705 -14.091 1.00 0.00 O ATOM 1351 CB LYS A 110 -1.577 -4.381 -13.457 1.00 0.00 C ATOM 1352 CG LYS A 110 -2.287 -5.735 -13.292 1.00 0.00 C ATOM 1353 CD LYS A 110 -3.726 -5.673 -13.816 1.00 0.00 C ATOM 1354 CE LYS A 110 -4.425 -7.013 -13.582 1.00 0.00 C ATOM 1355 NZ LYS A 110 -3.889 -8.092 -14.437 1.00 0.00 N ATOM 0 H LYS A 110 -1.624 -4.352 -11.051 1.00 0.00 H new ATOM 0 HA LYS A 110 0.413 -5.095 -12.914 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.250 -3.581 -13.149 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.349 -4.219 -14.510 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.735 -6.506 -13.829 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.292 -6.020 -12.240 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.272 -4.876 -13.311 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.725 -5.435 -14.880 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.317 -7.297 -12.535 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.492 -6.900 -13.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.463 -8.951 -14.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.922 -7.794 -15.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.904 -8.292 -14.168 1.00 0.00 H new ATOM 1369 N ASN A 111 0.782 -2.180 -11.924 1.00 0.00 N ATOM 1370 CA ASN A 111 1.442 -0.882 -12.018 1.00 0.00 C ATOM 1371 C ASN A 111 2.717 -0.937 -11.174 1.00 0.00 C ATOM 1372 O ASN A 111 3.090 0.004 -10.471 1.00 0.00 O ATOM 1373 CB ASN A 111 0.465 0.223 -11.596 1.00 0.00 C ATOM 1374 CG ASN A 111 1.101 1.597 -11.669 1.00 0.00 C ATOM 1375 OD1 ASN A 111 1.532 2.041 -12.729 1.00 0.00 O ATOM 1376 ND2 ASN A 111 1.189 2.287 -10.548 1.00 0.00 N ATOM 0 H ASN A 111 0.567 -2.427 -10.958 1.00 0.00 H new ATOM 0 HA ASN A 111 1.736 -0.646 -13.041 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.414 0.195 -12.239 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.122 0.035 -10.579 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.622 3.210 -10.550 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.824 1.897 -9.679 1.00 0.00 H new ATOM 1383 N THR A 112 3.391 -2.084 -11.215 1.00 0.00 N ATOM 1384 CA THR A 112 4.686 -2.249 -10.590 1.00 0.00 C ATOM 1385 C THR A 112 5.618 -2.940 -11.583 1.00 0.00 C ATOM 1386 O THR A 112 5.340 -4.085 -11.953 1.00 0.00 O ATOM 1387 CB THR A 112 4.564 -3.012 -9.276 1.00 0.00 C ATOM 1388 OG1 THR A 112 3.586 -2.419 -8.450 1.00 0.00 O ATOM 1389 CG2 THR A 112 5.924 -2.953 -8.572 1.00 0.00 C ATOM 0 H THR A 112 3.048 -2.922 -11.685 1.00 0.00 H new ATOM 0 HA THR A 112 5.108 -1.277 -10.335 1.00 0.00 H new ATOM 0 HB THR A 112 4.269 -4.043 -9.472 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.697 -2.580 -8.828 1.00 0.00 H new ATOM 0 HG21 THR A 112 5.868 -3.492 -7.626 1.00 0.00 H new ATOM 0 HG22 THR A 112 6.682 -3.412 -9.206 1.00 0.00 H new ATOM 0 HG23 THR A 112 6.191 -1.913 -8.382 1.00 0.00 H new ATOM 1397 N PRO A 113 6.716 -2.291 -12.008 1.00 0.00 N ATOM 1398 CA PRO A 113 7.700 -2.903 -12.880 1.00 0.00 C ATOM 1399 C PRO A 113 8.486 -3.958 -12.090 1.00 0.00 C ATOM 1400 O PRO A 113 9.475 -3.651 -11.419 1.00 0.00 O ATOM 1401 CB PRO A 113 8.546 -1.747 -13.414 1.00 0.00 C ATOM 1402 CG PRO A 113 8.461 -0.685 -12.325 1.00 0.00 C ATOM 1403 CD PRO A 113 7.085 -0.913 -11.707 1.00 0.00 C ATOM 0 HA PRO A 113 7.274 -3.444 -13.725 1.00 0.00 H new ATOM 0 HB2 PRO A 113 9.577 -2.056 -13.589 1.00 0.00 H new ATOM 0 HB3 PRO A 113 8.159 -1.376 -14.363 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.256 -0.802 -11.588 1.00 0.00 H new ATOM 0 HG3 PRO A 113 8.554 0.320 -12.737 1.00 0.00 H new ATOM 0 HD2 PRO A 113 7.111 -0.745 -10.630 1.00 0.00 H new ATOM 0 HD3 PRO A 113 6.355 -0.217 -12.120 1.00 0.00 H new ATOM 1411 N SER A 114 7.987 -5.194 -12.116 1.00 0.00 N ATOM 1412 CA SER A 114 8.582 -6.415 -11.576 1.00 0.00 C ATOM 1413 C SER A 114 8.954 -6.383 -10.085 1.00 0.00 C ATOM 1414 O SER A 114 9.658 -7.280 -9.630 1.00 0.00 O ATOM 1415 CB SER A 114 9.811 -6.800 -12.416 1.00 0.00 C ATOM 1416 OG SER A 114 9.625 -6.623 -13.810 1.00 0.00 O ATOM 0 H SER A 114 7.083 -5.381 -12.550 1.00 0.00 H new ATOM 0 HA SER A 114 7.795 -7.166 -11.643 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.663 -6.202 -12.093 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.061 -7.843 -12.221 1.00 0.00 H new ATOM 0 HG SER A 114 10.442 -6.884 -14.285 1.00 0.00 H new ATOM 1422 N ALA A 115 8.535 -5.368 -9.320 1.00 0.00 N ATOM 1423 CA ALA A 115 8.986 -5.077 -7.954 1.00 0.00 C ATOM 1424 C ALA A 115 10.514 -4.905 -7.843 1.00 0.00 C ATOM 1425 O ALA A 115 11.045 -4.802 -6.738 1.00 0.00 O ATOM 1426 CB ALA A 115 8.430 -6.115 -6.965 1.00 0.00 C ATOM 0 H ALA A 115 7.841 -4.697 -9.651 1.00 0.00 H new ATOM 0 HA ALA A 115 8.575 -4.106 -7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 115 8.776 -5.881 -5.958 1.00 0.00 H new ATOM 0 HB2 ALA A 115 7.340 -6.092 -6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 115 8.778 -7.109 -7.246 1.00 0.00 H new ATOM 1432 N ALA A 116 11.235 -4.823 -8.966 1.00 0.00 N ATOM 1433 CA ALA A 116 12.689 -4.815 -9.016 1.00 0.00 C ATOM 1434 C ALA A 116 13.326 -3.575 -8.363 1.00 0.00 C ATOM 1435 O ALA A 116 14.546 -3.548 -8.189 1.00 0.00 O ATOM 1436 CB ALA A 116 13.123 -4.950 -10.479 1.00 0.00 C ATOM 0 H ALA A 116 10.804 -4.759 -9.888 1.00 0.00 H new ATOM 0 HA ALA A 116 13.048 -5.659 -8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 116 14.211 -4.946 -10.537 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.741 -5.886 -10.887 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.726 -4.114 -11.055 1.00 0.00 H new ATOM 1442 N ASN A 117 12.545 -2.555 -8.001 1.00 0.00 N ATOM 1443 CA ASN A 117 12.996 -1.367 -7.276 1.00 0.00 C ATOM 1444 C ASN A 117 12.139 -1.107 -6.036 1.00 0.00 C ATOM 1445 O ASN A 117 12.221 -0.024 -5.467 1.00 0.00 O ATOM 1446 CB ASN A 117 13.040 -0.147 -8.215 1.00 0.00 C ATOM 1447 CG ASN A 117 14.386 -0.040 -8.907 1.00 0.00 C ATOM 1448 OD1 ASN A 117 15.401 0.188 -8.255 1.00 0.00 O ATOM 1449 ND2 ASN A 117 14.432 -0.183 -10.216 1.00 0.00 N ATOM 0 H ASN A 117 11.547 -2.533 -8.212 1.00 0.00 H new ATOM 0 HA ASN A 117 14.010 -1.548 -6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.249 -0.229 -8.961 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.847 0.762 -7.645 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.323 -0.105 -10.707 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.577 -0.372 -10.739 1.00 0.00 H new ATOM 1456 N ILE A 118 11.331 -2.068 -5.582 1.00 0.00 N ATOM 1457 CA ILE A 118 10.363 -1.879 -4.498 1.00 0.00 C ATOM 1458 C ILE A 118 10.997 -1.278 -3.249 1.00 0.00 C ATOM 1459 O ILE A 118 10.487 -0.317 -2.682 1.00 0.00 O ATOM 1460 CB ILE A 118 9.681 -3.230 -4.208 1.00 0.00 C ATOM 1461 CG1 ILE A 118 8.366 -3.020 -3.434 1.00 0.00 C ATOM 1462 CG2 ILE A 118 10.600 -4.294 -3.579 1.00 0.00 C ATOM 1463 CD1 ILE A 118 7.704 -4.315 -2.955 1.00 0.00 C ATOM 0 H ILE A 118 11.331 -3.014 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 118 9.612 -1.155 -4.815 1.00 0.00 H new ATOM 0 HB ILE A 118 9.432 -3.662 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.564 -2.386 -2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 118 7.665 -2.481 -4.071 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.034 -5.210 -3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.432 -4.500 -4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.985 -3.926 -2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.785 -4.077 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.471 -4.944 -3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.384 -4.847 -2.290 1.00 0.00 H new ATOM 1475 N SER A 119 12.137 -1.835 -2.863 1.00 0.00 N ATOM 1476 CA SER A 119 12.914 -1.387 -1.718 1.00 0.00 C ATOM 1477 C SER A 119 13.324 0.078 -1.877 1.00 0.00 C ATOM 1478 O SER A 119 13.202 0.866 -0.941 1.00 0.00 O ATOM 1479 CB SER A 119 14.122 -2.321 -1.564 1.00 0.00 C ATOM 1480 OG SER A 119 14.923 -1.980 -0.458 1.00 0.00 O ATOM 0 H SER A 119 12.555 -2.628 -3.349 1.00 0.00 H new ATOM 0 HA SER A 119 12.315 -1.434 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 119 13.773 -3.348 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.725 -2.284 -2.471 1.00 0.00 H new ATOM 0 HG SER A 119 14.557 -2.395 0.351 1.00 0.00 H new ATOM 1486 N ALA A 120 13.763 0.459 -3.075 1.00 0.00 N ATOM 1487 CA ALA A 120 14.162 1.828 -3.371 1.00 0.00 C ATOM 1488 C ALA A 120 12.947 2.750 -3.334 1.00 0.00 C ATOM 1489 O ALA A 120 13.038 3.851 -2.800 1.00 0.00 O ATOM 1490 CB ALA A 120 14.854 1.909 -4.734 1.00 0.00 C ATOM 0 H ALA A 120 13.851 -0.177 -3.868 1.00 0.00 H new ATOM 0 HA ALA A 120 14.872 2.153 -2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.143 2.941 -4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.742 1.277 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.170 1.567 -5.510 1.00 0.00 H new ATOM 1496 N TYR A 121 11.802 2.306 -3.863 1.00 0.00 N ATOM 1497 CA TYR A 121 10.586 3.095 -3.861 1.00 0.00 C ATOM 1498 C TYR A 121 10.143 3.331 -2.421 1.00 0.00 C ATOM 1499 O TYR A 121 9.814 4.457 -2.072 1.00 0.00 O ATOM 1500 CB TYR A 121 9.486 2.361 -4.639 1.00 0.00 C ATOM 1501 CG TYR A 121 9.702 2.077 -6.114 1.00 0.00 C ATOM 1502 CD1 TYR A 121 10.641 2.795 -6.879 1.00 0.00 C ATOM 1503 CD2 TYR A 121 8.896 1.101 -6.735 1.00 0.00 C ATOM 1504 CE1 TYR A 121 10.759 2.556 -8.257 1.00 0.00 C ATOM 1505 CE2 TYR A 121 9.005 0.860 -8.116 1.00 0.00 C ATOM 1506 CZ TYR A 121 9.924 1.606 -8.884 1.00 0.00 C ATOM 1507 OH TYR A 121 9.980 1.444 -10.233 1.00 0.00 O ATOM 0 H TYR A 121 11.702 1.390 -4.301 1.00 0.00 H new ATOM 0 HA TYR A 121 10.772 4.055 -4.343 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.309 1.407 -4.141 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.570 2.944 -4.545 1.00 0.00 H new ATOM 0 HD1 TYR A 121 11.272 3.532 -6.404 1.00 0.00 H new ATOM 0 HD2 TYR A 121 8.190 0.535 -6.146 1.00 0.00 H new ATOM 0 HE1 TYR A 121 11.489 3.099 -8.838 1.00 0.00 H new ATOM 0 HE2 TYR A 121 8.389 0.108 -8.586 1.00 0.00 H new ATOM 0 HH TYR A 121 10.884 1.650 -10.550 1.00 0.00 H new ATOM 1517 N ALA A 122 10.169 2.296 -1.580 1.00 0.00 N ATOM 1518 CA ALA A 122 9.815 2.388 -0.175 1.00 0.00 C ATOM 1519 C ALA A 122 10.756 3.332 0.568 1.00 0.00 C ATOM 1520 O ALA A 122 10.297 4.186 1.323 1.00 0.00 O ATOM 1521 CB ALA A 122 9.845 0.975 0.413 1.00 0.00 C ATOM 0 H ALA A 122 10.442 1.356 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 122 8.814 2.806 -0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.582 1.015 1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.129 0.346 -0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.845 0.557 0.303 1.00 0.00 H new ATOM 1527 N ASP A 123 12.062 3.210 0.337 1.00 0.00 N ATOM 1528 CA ASP A 123 13.065 4.090 0.926 1.00 0.00 C ATOM 1529 C ASP A 123 12.765 5.546 0.566 1.00 0.00 C ATOM 1530 O ASP A 123 12.714 6.400 1.451 1.00 0.00 O ATOM 1531 CB ASP A 123 14.455 3.644 0.457 1.00 0.00 C ATOM 1532 CG ASP A 123 15.593 4.173 1.323 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.662 5.381 1.629 1.00 0.00 O ATOM 1534 OD2 ASP A 123 16.492 3.372 1.667 1.00 0.00 O ATOM 0 H ASP A 123 12.455 2.491 -0.270 1.00 0.00 H new ATOM 0 HA ASP A 123 13.039 4.024 2.014 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.493 2.555 0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 123 14.607 3.977 -0.570 1.00 0.00 H new ATOM 1539 N ILE A 124 12.471 5.817 -0.710 1.00 0.00 N ATOM 1540 CA ILE A 124 12.064 7.134 -1.190 1.00 0.00 C ATOM 1541 C ILE A 124 10.765 7.574 -0.500 1.00 0.00 C ATOM 1542 O ILE A 124 10.714 8.705 -0.024 1.00 0.00 O ATOM 1543 CB ILE A 124 11.981 7.152 -2.738 1.00 0.00 C ATOM 1544 CG1 ILE A 124 13.385 6.985 -3.366 1.00 0.00 C ATOM 1545 CG2 ILE A 124 11.366 8.469 -3.256 1.00 0.00 C ATOM 1546 CD1 ILE A 124 13.364 6.489 -4.816 1.00 0.00 C ATOM 0 H ILE A 124 12.511 5.113 -1.447 1.00 0.00 H new ATOM 0 HA ILE A 124 12.821 7.871 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 124 11.342 6.318 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.905 7.942 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 124 13.961 6.285 -2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.323 8.447 -4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 124 10.359 8.582 -2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.981 9.309 -2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 124 14.386 6.398 -5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 124 12.874 5.516 -4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 124 12.817 7.200 -5.436 1.00 0.00 H new ATOM 1558 N VAL A 125 9.722 6.739 -0.415 1.00 0.00 N ATOM 1559 CA VAL A 125 8.459 7.091 0.244 1.00 0.00 C ATOM 1560 C VAL A 125 8.737 7.547 1.676 1.00 0.00 C ATOM 1561 O VAL A 125 8.215 8.589 2.093 1.00 0.00 O ATOM 1562 CB VAL A 125 7.472 5.905 0.187 1.00 0.00 C ATOM 1563 CG1 VAL A 125 6.260 6.049 1.125 1.00 0.00 C ATOM 1564 CG2 VAL A 125 6.919 5.734 -1.238 1.00 0.00 C ATOM 0 H VAL A 125 9.731 5.796 -0.803 1.00 0.00 H new ATOM 0 HA VAL A 125 7.988 7.920 -0.283 1.00 0.00 H new ATOM 0 HB VAL A 125 8.055 5.042 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.616 5.175 1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.605 6.129 2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.699 6.945 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.225 4.894 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.398 6.643 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 125 7.742 5.544 -1.927 1.00 0.00 H new ATOM 1574 N ARG A 126 9.550 6.802 2.432 1.00 0.00 N ATOM 1575 CA ARG A 126 9.904 7.241 3.778 1.00 0.00 C ATOM 1576 C ARG A 126 10.730 8.516 3.749 1.00 0.00 C ATOM 1577 O ARG A 126 10.449 9.406 4.539 1.00 0.00 O ATOM 1578 CB ARG A 126 10.597 6.134 4.578 1.00 0.00 C ATOM 1579 CG ARG A 126 10.818 6.539 6.052 1.00 0.00 C ATOM 1580 CD ARG A 126 12.212 7.124 6.318 1.00 0.00 C ATOM 1581 NE ARG A 126 13.270 6.119 6.159 1.00 0.00 N ATOM 1582 CZ ARG A 126 13.640 5.184 7.041 1.00 0.00 C ATOM 1583 NH1 ARG A 126 13.080 5.110 8.244 1.00 0.00 N ATOM 1584 NH2 ARG A 126 14.601 4.342 6.686 1.00 0.00 N ATOM 0 H ARG A 126 9.964 5.916 2.142 1.00 0.00 H new ATOM 0 HA ARG A 126 8.972 7.469 4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.995 5.226 4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 126 11.557 5.901 4.118 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.063 7.272 6.337 1.00 0.00 H new ATOM 0 HG3 ARG A 126 10.671 5.666 6.688 1.00 0.00 H new ATOM 0 HD2 ARG A 126 12.394 7.953 5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.248 7.531 7.329 1.00 0.00 H new ATOM 0 HE ARG A 126 13.781 6.136 5.276 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.353 5.774 8.510 1.00 0.00 H new ATOM 0 HH12 ARG A 126 13.377 4.389 8.901 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.033 4.420 5.765 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.908 3.616 7.334 1.00 0.00 H new ATOM 1598 N GLU A 127 11.739 8.653 2.893 1.00 0.00 N ATOM 1599 CA GLU A 127 12.570 9.858 2.877 1.00 0.00 C ATOM 1600 C GLU A 127 11.721 11.094 2.540 1.00 0.00 C ATOM 1601 O GLU A 127 11.943 12.188 3.065 1.00 0.00 O ATOM 1602 CB GLU A 127 13.708 9.694 1.863 1.00 0.00 C ATOM 1603 CG GLU A 127 14.968 10.493 2.246 1.00 0.00 C ATOM 1604 CD GLU A 127 16.005 9.665 3.008 1.00 0.00 C ATOM 1605 OE1 GLU A 127 15.944 9.574 4.257 1.00 0.00 O ATOM 1606 OE2 GLU A 127 16.901 9.092 2.347 1.00 0.00 O ATOM 0 H GLU A 127 12.002 7.949 2.203 1.00 0.00 H new ATOM 0 HA GLU A 127 13.000 10.001 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.964 8.638 1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 127 13.363 10.017 0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 127 15.426 10.891 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 127 14.676 11.347 2.857 1.00 0.00 H new ATOM 1613 N ARG A 128 10.734 10.940 1.656 1.00 0.00 N ATOM 1614 CA ARG A 128 9.740 11.974 1.357 1.00 0.00 C ATOM 1615 C ARG A 128 8.879 12.266 2.590 1.00 0.00 C ATOM 1616 O ARG A 128 8.601 13.440 2.840 1.00 0.00 O ATOM 1617 CB ARG A 128 8.850 11.563 0.169 1.00 0.00 C ATOM 1618 CG ARG A 128 9.539 11.457 -1.206 1.00 0.00 C ATOM 1619 CD ARG A 128 9.920 12.797 -1.847 1.00 0.00 C ATOM 1620 NE ARG A 128 11.212 13.291 -1.348 1.00 0.00 N ATOM 1621 CZ ARG A 128 11.777 14.476 -1.597 1.00 0.00 C ATOM 1622 NH1 ARG A 128 11.197 15.364 -2.394 1.00 0.00 N ATOM 1623 NH2 ARG A 128 12.932 14.775 -1.029 1.00 0.00 N ATOM 0 H ARG A 128 10.600 10.083 1.120 1.00 0.00 H new ATOM 0 HA ARG A 128 10.276 12.882 1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 128 8.399 10.598 0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 128 8.036 12.284 0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 128 10.441 10.854 -1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 128 8.877 10.921 -1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 128 9.968 12.682 -2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 128 9.144 13.534 -1.639 1.00 0.00 H new ATOM 0 HE ARG A 128 11.736 12.658 -0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 128 10.301 15.148 -2.831 1.00 0.00 H new ATOM 0 HH12 ARG A 128 11.647 16.262 -2.570 1.00 0.00 H new ATOM 0 HH21 ARG A 128 13.383 14.104 -0.407 1.00 0.00 H new ATOM 0 HH22 ARG A 128 13.372 15.677 -1.212 1.00 0.00 H new ATOM 1637 N ALA A 129 8.464 11.245 3.349 1.00 0.00 N ATOM 1638 CA ALA A 129 7.719 11.421 4.595 1.00 0.00 C ATOM 1639 C ALA A 129 8.554 12.213 5.598 1.00 0.00 C ATOM 1640 O ALA A 129 8.053 13.185 6.158 1.00 0.00 O ATOM 1641 CB ALA A 129 7.303 10.074 5.206 1.00 0.00 C ATOM 0 H ALA A 129 8.638 10.268 3.112 1.00 0.00 H new ATOM 0 HA ALA A 129 6.810 11.974 4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.752 10.248 6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.669 9.535 4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 129 8.192 9.481 5.420 1.00 0.00 H new ATOM 1647 N VAL A 130 9.820 11.835 5.778 1.00 0.00 N ATOM 1648 CA VAL A 130 10.803 12.498 6.626 1.00 0.00 C ATOM 1649 C VAL A 130 10.884 13.976 6.263 1.00 0.00 C ATOM 1650 O VAL A 130 10.748 14.831 7.133 1.00 0.00 O ATOM 1651 CB VAL A 130 12.143 11.743 6.556 1.00 0.00 C ATOM 1652 CG1 VAL A 130 13.333 12.541 7.102 1.00 0.00 C ATOM 1653 CG2 VAL A 130 11.999 10.441 7.361 1.00 0.00 C ATOM 0 H VAL A 130 10.205 11.014 5.310 1.00 0.00 H new ATOM 0 HA VAL A 130 10.502 12.468 7.673 1.00 0.00 H new ATOM 0 HB VAL A 130 12.357 11.556 5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 130 14.241 11.943 7.019 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.450 13.460 6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 130 13.156 12.788 8.149 1.00 0.00 H new ATOM 0 HG21 VAL A 130 12.937 9.887 7.327 1.00 0.00 H new ATOM 0 HG22 VAL A 130 11.755 10.679 8.396 1.00 0.00 H new ATOM 0 HG23 VAL A 130 11.203 9.834 6.931 1.00 0.00 H new ATOM 1663 N VAL A 131 11.028 14.297 4.981 1.00 0.00 N ATOM 1664 CA VAL A 131 11.059 15.684 4.538 1.00 0.00 C ATOM 1665 C VAL A 131 9.722 16.381 4.812 1.00 0.00 C ATOM 1666 O VAL A 131 9.707 17.577 5.073 1.00 0.00 O ATOM 1667 CB VAL A 131 11.482 15.725 3.058 1.00 0.00 C ATOM 1668 CG1 VAL A 131 11.223 17.076 2.382 1.00 0.00 C ATOM 1669 CG2 VAL A 131 12.987 15.448 2.963 1.00 0.00 C ATOM 0 H VAL A 131 11.125 13.613 4.231 1.00 0.00 H new ATOM 0 HA VAL A 131 11.798 16.246 5.109 1.00 0.00 H new ATOM 0 HB VAL A 131 10.882 14.973 2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 131 11.546 17.030 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 131 10.158 17.305 2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 131 11.781 17.855 2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 131 13.297 15.475 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 131 13.533 16.207 3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 131 13.203 14.464 3.380 1.00 0.00 H new ATOM 1679 N ARG A 132 8.581 15.698 4.732 1.00 0.00 N ATOM 1680 CA ARG A 132 7.300 16.286 5.109 1.00 0.00 C ATOM 1681 C ARG A 132 7.190 16.592 6.595 1.00 0.00 C ATOM 1682 O ARG A 132 6.650 17.638 6.955 1.00 0.00 O ATOM 1683 CB ARG A 132 6.161 15.412 4.548 1.00 0.00 C ATOM 1684 CG ARG A 132 4.780 15.631 5.183 1.00 0.00 C ATOM 1685 CD ARG A 132 4.535 14.664 6.353 1.00 0.00 C ATOM 1686 NE ARG A 132 3.167 14.776 6.868 1.00 0.00 N ATOM 1687 CZ ARG A 132 2.671 14.123 7.924 1.00 0.00 C ATOM 1688 NH1 ARG A 132 3.451 13.346 8.668 1.00 0.00 N ATOM 1689 NH2 ARG A 132 1.385 14.247 8.224 1.00 0.00 N ATOM 0 H ARG A 132 8.520 14.733 4.408 1.00 0.00 H new ATOM 0 HA ARG A 132 7.214 17.273 4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 132 6.081 15.595 3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 132 6.436 14.365 4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 132 4.701 16.659 5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 132 4.006 15.493 4.428 1.00 0.00 H new ATOM 0 HD2 ARG A 132 4.718 13.641 6.025 1.00 0.00 H new ATOM 0 HD3 ARG A 132 5.244 14.874 7.154 1.00 0.00 H new ATOM 0 HE ARG A 132 2.537 15.409 6.376 1.00 0.00 H new ATOM 0 HH11 ARG A 132 4.439 13.243 8.436 1.00 0.00 H new ATOM 0 HH12 ARG A 132 3.062 12.853 9.471 1.00 0.00 H new ATOM 0 HH21 ARG A 132 0.782 14.837 7.651 1.00 0.00 H new ATOM 0 HH22 ARG A 132 0.999 13.752 9.028 1.00 0.00 H new ATOM 1703 N GLU A 133 7.609 15.680 7.460 1.00 0.00 N ATOM 1704 CA GLU A 133 7.516 15.892 8.904 1.00 0.00 C ATOM 1705 C GLU A 133 8.545 16.929 9.344 1.00 0.00 C ATOM 1706 O GLU A 133 8.266 17.736 10.231 1.00 0.00 O ATOM 1707 CB GLU A 133 7.613 14.567 9.680 1.00 0.00 C ATOM 1708 CG GLU A 133 8.903 13.757 9.504 1.00 0.00 C ATOM 1709 CD GLU A 133 8.918 12.435 10.282 1.00 0.00 C ATOM 1710 OE1 GLU A 133 8.223 11.474 9.883 1.00 0.00 O ATOM 1711 OE2 GLU A 133 9.622 12.346 11.319 1.00 0.00 O ATOM 0 H GLU A 133 8.017 14.785 7.191 1.00 0.00 H new ATOM 0 HA GLU A 133 6.531 16.293 9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.490 14.785 10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 133 6.773 13.938 9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 133 9.046 13.545 8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.749 14.365 9.824 1.00 0.00 H new ATOM 1718 N MET A 134 9.701 16.923 8.686 1.00 0.00 N ATOM 1719 CA MET A 134 10.871 17.733 8.978 1.00 0.00 C ATOM 1720 C MET A 134 11.518 18.203 7.670 1.00 0.00 C ATOM 1721 O MET A 134 12.473 17.597 7.184 1.00 0.00 O ATOM 1722 CB MET A 134 11.854 16.915 9.831 1.00 0.00 C ATOM 1723 CG MET A 134 11.282 16.551 11.203 1.00 0.00 C ATOM 1724 SD MET A 134 12.433 15.713 12.320 1.00 0.00 S ATOM 1725 CE MET A 134 12.910 14.276 11.324 1.00 0.00 C ATOM 0 H MET A 134 9.851 16.311 7.884 1.00 0.00 H new ATOM 0 HA MET A 134 10.581 18.619 9.543 1.00 0.00 H new ATOM 0 HB2 MET A 134 12.119 16.002 9.298 1.00 0.00 H new ATOM 0 HB3 MET A 134 12.774 17.484 9.965 1.00 0.00 H new ATOM 0 HG2 MET A 134 10.931 17.463 11.686 1.00 0.00 H new ATOM 0 HG3 MET A 134 10.411 15.912 11.058 1.00 0.00 H new ATOM 0 HE1 MET A 134 13.458 13.568 11.946 1.00 0.00 H new ATOM 0 HE2 MET A 134 12.016 13.795 10.928 1.00 0.00 H new ATOM 0 HE3 MET A 134 13.543 14.600 10.498 1.00 0.00 H new ATOM 1735 N ILE A 135 11.009 19.284 7.079 1.00 0.00 N ATOM 1736 CA ILE A 135 11.590 19.914 5.895 1.00 0.00 C ATOM 1737 C ILE A 135 13.027 20.341 6.241 1.00 0.00 C ATOM 1738 O ILE A 135 13.250 20.978 7.274 1.00 0.00 O ATOM 1739 CB ILE A 135 10.718 21.098 5.398 1.00 0.00 C ATOM 1740 CG1 ILE A 135 9.258 20.753 5.010 1.00 0.00 C ATOM 1741 CG2 ILE A 135 11.335 21.708 4.125 1.00 0.00 C ATOM 1742 CD1 ILE A 135 8.319 20.407 6.169 1.00 0.00 C ATOM 0 H ILE A 135 10.168 19.753 7.415 1.00 0.00 H new ATOM 0 HA ILE A 135 11.619 19.207 5.066 1.00 0.00 H new ATOM 0 HB ILE A 135 10.695 21.768 6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 135 8.837 21.600 4.468 1.00 0.00 H new ATOM 0 HG13 ILE A 135 9.276 19.910 4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 135 10.717 22.538 3.783 1.00 0.00 H new ATOM 0 HG22 ILE A 135 12.339 22.070 4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 135 11.386 20.948 3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 135 7.326 20.184 5.779 1.00 0.00 H new ATOM 0 HD12 ILE A 135 8.704 19.537 6.702 1.00 0.00 H new ATOM 0 HD13 ILE A 135 8.258 21.254 6.853 1.00 0.00 H new ATOM 1754 N SER A 136 13.979 20.010 5.360 1.00 0.00 N ATOM 1755 CA SER A 136 15.422 20.124 5.554 1.00 0.00 C ATOM 1756 C SER A 136 15.820 19.688 6.958 1.00 0.00 C ATOM 1757 O SER A 136 16.128 20.534 7.822 1.00 0.00 O ATOM 1758 CB SER A 136 15.938 21.522 5.200 1.00 0.00 C ATOM 1759 OG SER A 136 15.605 21.908 3.872 1.00 0.00 O ATOM 1760 OXT SER A 136 15.825 18.464 7.201 1.00 0.00 O ATOM 0 H SER A 136 13.745 19.634 4.441 1.00 0.00 H new ATOM 0 HA SER A 136 15.908 19.440 4.858 1.00 0.00 H new ATOM 0 HB2 SER A 136 15.522 22.247 5.900 1.00 0.00 H new ATOM 0 HB3 SER A 136 17.021 21.547 5.321 1.00 0.00 H new ATOM 0 HG SER A 136 15.954 22.806 3.695 1.00 0.00 H new TER 1766 SER A 136