USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 778 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 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 72 HIS : no HE2:sc= 0.572 K(o=1.9,f=-5.5!) USER MOD Set 1.3: B 116 THR OG1 : rot 71:sc= 1.29 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= -1.39 (180deg=-1.39) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= -0.458 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot 50:sc= -5.87! USER MOD Single : A 26 SER OG : rot -28:sc= -2.46! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 0.583 (180deg=0.559) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -2.4 K(o=-2.4,f=-5.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -68:sc= -0.398 USER MOD Single : A 48 SER OG : rot -87:sc= -5.96! USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 63 ASN :FLIP amide:sc= 0.253 F(o=-0.67,f=0.25) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.014) USER MOD Single : A 80 LYS NZ :NH3+ 172:sc= -0.166 (180deg=-0.441) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 58:sc= 1.21 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -169:sc= -0.265 USER MOD Single : A 99 MET CE :methyl -171:sc= -0.236 (180deg=-0.342) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 THR OG1 : rot -25:sc= 0.181 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 9 -4.542 -3.365 -15.258 1.00 0.00 N ATOM 2 CA LYS A 9 -3.570 -2.929 -16.295 1.00 0.00 C ATOM 3 C LYS A 9 -2.484 -2.039 -15.698 1.00 0.00 C ATOM 4 O LYS A 9 -1.902 -1.205 -16.392 1.00 0.00 O ATOM 5 CB LYS A 9 -4.330 -2.172 -17.387 1.00 0.00 C ATOM 6 CG LYS A 9 -5.300 -1.134 -16.845 1.00 0.00 C ATOM 7 CD LYS A 9 -5.343 0.103 -17.729 1.00 0.00 C ATOM 8 CE LYS A 9 -6.758 0.641 -17.866 1.00 0.00 C ATOM 9 NZ LYS A 9 -7.019 1.768 -16.928 1.00 0.00 N ATOM 0 HA LYS A 9 -3.079 -3.807 -16.715 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.612 -1.679 -18.043 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.880 -2.888 -17.998 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.298 -1.568 -16.775 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.005 -0.851 -15.835 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.698 0.875 -17.308 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.948 -0.140 -18.715 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.921 0.977 -18.890 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.471 -0.161 -17.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.995 2.106 -17.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.889 1.442 -15.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.356 2.545 -17.125 1.00 0.00 H new ATOM 25 N GLU A 10 -2.216 -2.222 -14.409 1.00 0.00 N ATOM 26 CA GLU A 10 -1.199 -1.435 -13.720 1.00 0.00 C ATOM 27 C GLU A 10 -1.556 0.048 -13.735 1.00 0.00 C ATOM 28 O GLU A 10 -1.629 0.669 -14.796 1.00 0.00 O ATOM 29 CB GLU A 10 0.170 -1.650 -14.369 1.00 0.00 C ATOM 30 CG GLU A 10 0.515 -3.114 -14.587 1.00 0.00 C ATOM 31 CD GLU A 10 1.491 -3.643 -13.555 1.00 0.00 C ATOM 32 OE1 GLU A 10 2.302 -2.845 -13.041 1.00 0.00 O ATOM 33 OE2 GLU A 10 1.445 -4.856 -13.260 1.00 0.00 O ATOM 0 H GLU A 10 -2.689 -2.908 -13.821 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.157 -1.769 -12.683 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.194 -1.133 -15.328 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.936 -1.194 -13.742 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.399 -3.707 -14.555 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.941 -3.239 -15.582 1.00 0.00 H new ATOM 40 N LYS A 11 -1.779 0.611 -12.552 1.00 0.00 N ATOM 41 CA LYS A 11 -2.130 2.023 -12.433 1.00 0.00 C ATOM 42 C LYS A 11 -0.912 2.866 -12.062 1.00 0.00 C ATOM 43 O LYS A 11 -0.033 2.421 -11.324 1.00 0.00 O ATOM 44 CB LYS A 11 -3.235 2.210 -11.389 1.00 0.00 C ATOM 45 CG LYS A 11 -3.660 3.658 -11.204 1.00 0.00 C ATOM 46 CD LYS A 11 -5.002 3.757 -10.498 1.00 0.00 C ATOM 47 CE LYS A 11 -4.909 3.289 -9.053 1.00 0.00 C ATOM 48 NZ LYS A 11 -5.489 1.930 -8.872 1.00 0.00 N ATOM 0 H LYS A 11 -1.723 0.113 -11.664 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.494 2.360 -13.403 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.103 1.620 -11.682 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.890 1.816 -10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.904 4.190 -10.627 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.722 4.148 -12.176 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.353 4.788 -10.525 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.739 3.155 -11.030 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.865 3.283 -8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.431 3.996 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.453 1.668 -7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.478 1.929 -9.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.942 1.242 -9.429 1.00 0.00 H new ATOM 62 N LYS A 12 -0.868 4.089 -12.583 1.00 0.00 N ATOM 63 CA LYS A 12 0.241 4.997 -12.309 1.00 0.00 C ATOM 64 C LYS A 12 -0.167 6.058 -11.292 1.00 0.00 C ATOM 65 O LYS A 12 -1.277 6.587 -11.345 1.00 0.00 O ATOM 66 CB LYS A 12 0.710 5.666 -13.603 1.00 0.00 C ATOM 67 CG LYS A 12 1.541 4.755 -14.491 1.00 0.00 C ATOM 68 CD LYS A 12 2.912 5.348 -14.777 1.00 0.00 C ATOM 69 CE LYS A 12 3.977 4.754 -13.870 1.00 0.00 C ATOM 70 NZ LYS A 12 5.351 5.024 -14.376 1.00 0.00 N ATOM 0 H LYS A 12 -1.587 4.474 -13.196 1.00 0.00 H new ATOM 0 HA LYS A 12 1.063 4.415 -11.891 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.161 6.009 -14.162 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.297 6.550 -13.353 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.657 3.784 -14.009 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.015 4.584 -15.430 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.178 5.167 -15.819 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.878 6.429 -14.640 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.872 5.168 -12.867 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.825 3.678 -13.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.048 4.603 -13.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.460 4.607 -15.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.506 6.051 -14.430 1.00 0.00 H new ATOM 84 N VAL A 13 0.737 6.362 -10.368 1.00 0.00 N ATOM 85 CA VAL A 13 0.469 7.361 -9.341 1.00 0.00 C ATOM 86 C VAL A 13 1.736 8.128 -8.973 1.00 0.00 C ATOM 87 O VAL A 13 2.833 7.570 -8.969 1.00 0.00 O ATOM 88 CB VAL A 13 -0.114 6.715 -8.069 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.505 7.778 -7.056 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.307 5.837 -8.418 1.00 0.00 C ATOM 0 H VAL A 13 1.660 5.932 -10.309 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.262 8.054 -9.757 1.00 0.00 H new ATOM 0 HB VAL A 13 0.655 6.087 -7.619 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.914 7.300 -6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.374 8.361 -6.783 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.256 8.437 -7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.707 5.388 -7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.078 6.443 -8.893 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.991 5.050 -9.103 1.00 0.00 H new ATOM 100 N PHE A 14 1.573 9.410 -8.660 1.00 0.00 N ATOM 101 CA PHE A 14 2.700 10.256 -8.289 1.00 0.00 C ATOM 102 C PHE A 14 2.393 11.043 -7.020 1.00 0.00 C ATOM 103 O PHE A 14 1.421 11.797 -6.965 1.00 0.00 O ATOM 104 CB PHE A 14 3.041 11.218 -9.429 1.00 0.00 C ATOM 105 CG PHE A 14 1.840 11.907 -10.011 1.00 0.00 C ATOM 106 CD1 PHE A 14 1.022 11.253 -10.919 1.00 0.00 C ATOM 107 CD2 PHE A 14 1.529 13.209 -9.652 1.00 0.00 C ATOM 108 CE1 PHE A 14 -0.083 11.883 -11.456 1.00 0.00 C ATOM 109 CE2 PHE A 14 0.425 13.845 -10.187 1.00 0.00 C ATOM 110 CZ PHE A 14 -0.382 13.181 -11.089 1.00 0.00 C ATOM 0 H PHE A 14 0.670 9.885 -8.656 1.00 0.00 H new ATOM 0 HA PHE A 14 3.558 9.612 -8.098 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.739 11.970 -9.062 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.552 10.667 -10.218 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.252 10.239 -11.210 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.157 13.733 -8.946 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.713 11.362 -12.162 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.194 14.860 -9.900 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.246 13.676 -11.507 1.00 0.00 H new ATOM 120 N ILE A 15 3.225 10.862 -6.000 1.00 0.00 N ATOM 121 CA ILE A 15 3.041 11.555 -4.730 1.00 0.00 C ATOM 122 C ILE A 15 4.101 12.633 -4.533 1.00 0.00 C ATOM 123 O ILE A 15 5.297 12.376 -4.681 1.00 0.00 O ATOM 124 CB ILE A 15 3.090 10.573 -3.542 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.112 9.419 -3.766 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.774 11.296 -2.240 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.678 9.870 -3.942 1.00 0.00 C ATOM 0 H ILE A 15 4.034 10.241 -6.028 1.00 0.00 H new ATOM 0 HA ILE A 15 2.057 12.022 -4.763 1.00 0.00 H new ATOM 0 HB ILE A 15 4.098 10.164 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.419 8.859 -4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.168 8.735 -2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.813 10.588 -1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.506 12.087 -2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.776 11.731 -2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.039 9.000 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.353 10.405 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.608 10.530 -4.807 1.00 0.00 H new ATOM 139 N SER A 16 3.656 13.839 -4.197 1.00 0.00 N ATOM 140 CA SER A 16 4.564 14.957 -3.978 1.00 0.00 C ATOM 141 C SER A 16 4.195 15.715 -2.707 1.00 0.00 C ATOM 142 O SER A 16 3.019 15.850 -2.373 1.00 0.00 O ATOM 143 CB SER A 16 4.536 15.907 -5.177 1.00 0.00 C ATOM 144 OG SER A 16 5.821 16.447 -5.432 1.00 0.00 O ATOM 0 H SER A 16 2.670 14.067 -4.070 1.00 0.00 H new ATOM 0 HA SER A 16 5.572 14.557 -3.863 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.181 15.374 -6.059 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.830 16.715 -4.988 1.00 0.00 H new ATOM 0 HG SER A 16 5.776 17.049 -6.204 1.00 0.00 H new ATOM 150 N LEU A 17 5.209 16.206 -2.002 1.00 0.00 N ATOM 151 CA LEU A 17 4.990 16.949 -0.766 1.00 0.00 C ATOM 152 C LEU A 17 4.851 18.443 -1.049 1.00 0.00 C ATOM 153 O LEU A 17 5.539 19.267 -0.446 1.00 0.00 O ATOM 154 CB LEU A 17 6.143 16.703 0.210 1.00 0.00 C ATOM 155 CG LEU A 17 5.733 16.578 1.679 1.00 0.00 C ATOM 156 CD1 LEU A 17 6.574 15.521 2.380 1.00 0.00 C ATOM 157 CD2 LEU A 17 5.865 17.919 2.385 1.00 0.00 C ATOM 0 H LEU A 17 6.189 16.103 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 17 4.062 16.597 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.661 15.791 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.858 17.520 0.117 1.00 0.00 H new ATOM 0 HG LEU A 17 4.689 16.269 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.268 15.446 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.431 14.558 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.626 15.801 2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.569 17.811 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.900 18.257 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.220 18.651 1.899 1.00 0.00 H new ATOM 169 N VAL A 18 3.955 18.785 -1.968 1.00 0.00 N ATOM 170 CA VAL A 18 3.724 20.177 -2.330 1.00 0.00 C ATOM 171 C VAL A 18 2.237 20.516 -2.298 1.00 0.00 C ATOM 172 O VAL A 18 1.463 20.041 -3.129 1.00 0.00 O ATOM 173 CB VAL A 18 4.281 20.495 -3.730 1.00 0.00 C ATOM 174 CG1 VAL A 18 5.797 20.599 -3.692 1.00 0.00 C ATOM 175 CG2 VAL A 18 3.837 19.441 -4.734 1.00 0.00 C ATOM 0 H VAL A 18 3.376 18.116 -2.476 1.00 0.00 H new ATOM 0 HA VAL A 18 4.248 20.785 -1.592 1.00 0.00 H new ATOM 0 HB VAL A 18 3.882 21.458 -4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.171 20.824 -4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.090 21.394 -3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.218 19.653 -3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.240 19.683 -5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.204 18.463 -4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.748 19.421 -4.783 1.00 0.00 H new ATOM 185 N GLY A 19 1.845 21.341 -1.333 1.00 0.00 N ATOM 186 CA GLY A 19 0.453 21.729 -1.210 1.00 0.00 C ATOM 187 C GLY A 19 -0.300 20.877 -0.206 1.00 0.00 C ATOM 188 O GLY A 19 -1.287 21.324 0.379 1.00 0.00 O ATOM 0 H GLY A 19 2.467 21.748 -0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.396 22.775 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.030 21.650 -2.184 1.00 0.00 H new ATOM 192 N SER A 20 0.167 19.649 -0.007 1.00 0.00 N ATOM 193 CA SER A 20 -0.469 18.732 0.933 1.00 0.00 C ATOM 194 C SER A 20 0.528 18.266 1.992 1.00 0.00 C ATOM 195 O SER A 20 1.657 18.752 2.051 1.00 0.00 O ATOM 196 CB SER A 20 -1.045 17.528 0.187 1.00 0.00 C ATOM 197 OG SER A 20 -2.088 17.923 -0.688 1.00 0.00 O ATOM 0 H SER A 20 0.983 19.266 -0.484 1.00 0.00 H new ATOM 0 HA SER A 20 -1.280 19.261 1.433 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.256 17.036 -0.381 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.423 16.799 0.903 1.00 0.00 H new ATOM 0 HG SER A 20 -2.439 17.136 -1.155 1.00 0.00 H new ATOM 203 N ARG A 21 0.102 17.326 2.830 1.00 0.00 N ATOM 204 CA ARG A 21 0.958 16.802 3.888 1.00 0.00 C ATOM 205 C ARG A 21 1.392 15.369 3.592 1.00 0.00 C ATOM 206 O ARG A 21 0.577 14.447 3.603 1.00 0.00 O ATOM 207 CB ARG A 21 0.232 16.857 5.233 1.00 0.00 C ATOM 208 CG ARG A 21 -1.171 16.277 5.189 1.00 0.00 C ATOM 209 CD ARG A 21 -2.206 17.335 4.839 1.00 0.00 C ATOM 210 NE ARG A 21 -3.223 17.468 5.879 1.00 0.00 N ATOM 211 CZ ARG A 21 -4.034 18.519 5.994 1.00 0.00 C ATOM 212 NH1 ARG A 21 -3.948 19.529 5.138 1.00 0.00 N ATOM 213 NH2 ARG A 21 -4.931 18.559 6.969 1.00 0.00 N ATOM 0 H ARG A 21 -0.830 16.912 2.797 1.00 0.00 H new ATOM 0 HA ARG A 21 1.850 17.426 3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.818 16.315 5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.178 17.894 5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.210 15.473 4.454 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.413 15.837 6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.709 18.294 4.692 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.684 17.076 3.894 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.318 16.712 6.557 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.258 19.504 4.387 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.572 20.331 5.231 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.000 17.786 7.631 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.552 19.363 7.058 1.00 0.00 H new ATOM 227 N GLY A 22 2.685 15.191 3.333 1.00 0.00 N ATOM 228 CA GLY A 22 3.214 13.869 3.043 1.00 0.00 C ATOM 229 C GLY A 22 2.455 13.158 1.938 1.00 0.00 C ATOM 230 O GLY A 22 2.622 13.473 0.760 1.00 0.00 O ATOM 0 H GLY A 22 3.377 15.940 3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.262 13.957 2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.180 13.263 3.948 1.00 0.00 H new ATOM 234 N LEU A 23 1.625 12.193 2.322 1.00 0.00 N ATOM 235 CA LEU A 23 0.841 11.428 1.359 1.00 0.00 C ATOM 236 C LEU A 23 -0.645 11.492 1.704 1.00 0.00 C ATOM 237 O LEU A 23 -1.443 12.063 0.961 1.00 0.00 O ATOM 238 CB LEU A 23 1.318 9.974 1.335 1.00 0.00 C ATOM 239 CG LEU A 23 0.337 8.966 0.730 1.00 0.00 C ATOM 240 CD1 LEU A 23 0.135 9.237 -0.751 1.00 0.00 C ATOM 241 CD2 LEU A 23 0.833 7.544 0.951 1.00 0.00 C ATOM 0 H LEU A 23 1.478 11.922 3.294 1.00 0.00 H new ATOM 0 HA LEU A 23 0.982 11.864 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.252 9.926 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.543 9.667 2.357 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.624 9.078 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.565 8.510 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.265 10.242 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.090 9.154 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.124 6.840 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.806 7.420 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.924 7.352 2.020 1.00 0.00 H new ATOM 253 N GLY A 24 -1.008 10.892 2.834 1.00 0.00 N ATOM 254 CA GLY A 24 -2.395 10.884 3.256 1.00 0.00 C ATOM 255 C GLY A 24 -2.995 9.492 3.226 1.00 0.00 C ATOM 256 O GLY A 24 -4.204 9.333 3.053 1.00 0.00 O ATOM 0 H GLY A 24 -0.366 10.412 3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.468 11.287 4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.974 11.541 2.607 1.00 0.00 H new ATOM 260 N CYS A 25 -2.150 8.480 3.389 1.00 0.00 N ATOM 261 CA CYS A 25 -2.603 7.095 3.375 1.00 0.00 C ATOM 262 C CYS A 25 -1.659 6.205 4.175 1.00 0.00 C ATOM 263 O CYS A 25 -0.484 6.529 4.351 1.00 0.00 O ATOM 264 CB CYS A 25 -2.699 6.586 1.936 1.00 0.00 C ATOM 265 SG CYS A 25 -3.269 4.878 1.793 1.00 0.00 S ATOM 0 H CYS A 25 -1.147 8.594 3.532 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.589 7.057 3.837 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.377 7.232 1.378 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.719 6.671 1.466 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.354 4.723 2.492 1.00 0.00 H new ATOM 271 N SER A 26 -2.176 5.076 4.654 1.00 0.00 N ATOM 272 CA SER A 26 -1.373 4.136 5.426 1.00 0.00 C ATOM 273 C SER A 26 -1.233 2.824 4.667 1.00 0.00 C ATOM 274 O SER A 26 -2.202 2.324 4.105 1.00 0.00 O ATOM 275 CB SER A 26 -2.013 3.887 6.793 1.00 0.00 C ATOM 276 OG SER A 26 -1.077 3.332 7.701 1.00 0.00 O ATOM 0 H SER A 26 -3.146 4.792 4.520 1.00 0.00 H new ATOM 0 HA SER A 26 -0.382 4.565 5.578 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.400 4.824 7.193 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.862 3.212 6.683 1.00 0.00 H new ATOM 0 HG SER A 26 -0.400 2.826 7.205 1.00 0.00 H new ATOM 282 N ILE A 27 -0.026 2.271 4.640 1.00 0.00 N ATOM 283 CA ILE A 27 0.213 1.019 3.932 1.00 0.00 C ATOM 284 C ILE A 27 0.280 -0.161 4.894 1.00 0.00 C ATOM 285 O ILE A 27 0.735 -0.029 6.029 1.00 0.00 O ATOM 286 CB ILE A 27 1.512 1.073 3.106 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.679 1.554 3.967 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.332 1.977 1.896 1.00 0.00 C ATOM 289 CD1 ILE A 27 4.006 1.532 3.243 1.00 0.00 C ATOM 0 H ILE A 27 0.796 2.666 5.096 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.630 0.880 3.255 1.00 0.00 H new ATOM 0 HB ILE A 27 1.740 0.066 2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.476 2.569 4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.748 0.927 4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.258 2.005 1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.528 1.590 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.080 2.984 2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.791 1.885 3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.231 0.514 2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.954 2.181 2.369 1.00 0.00 H new ATOM 301 N SER A 28 -0.179 -1.316 4.424 1.00 0.00 N ATOM 302 CA SER A 28 -0.178 -2.530 5.234 1.00 0.00 C ATOM 303 C SER A 28 0.470 -3.684 4.476 1.00 0.00 C ATOM 304 O SER A 28 0.606 -3.638 3.254 1.00 0.00 O ATOM 305 CB SER A 28 -1.609 -2.904 5.628 1.00 0.00 C ATOM 306 OG SER A 28 -2.482 -2.834 4.514 1.00 0.00 O ATOM 0 H SER A 28 -0.557 -1.438 3.485 1.00 0.00 H new ATOM 0 HA SER A 28 0.402 -2.338 6.137 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.623 -3.912 6.042 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.960 -2.233 6.412 1.00 0.00 H new ATOM 0 HG SER A 28 -3.389 -3.079 4.793 1.00 0.00 H new ATOM 312 N SER A 29 0.869 -4.717 5.209 1.00 0.00 N ATOM 313 CA SER A 29 1.503 -5.881 4.603 1.00 0.00 C ATOM 314 C SER A 29 0.537 -7.061 4.556 1.00 0.00 C ATOM 315 O SER A 29 -0.280 -7.244 5.458 1.00 0.00 O ATOM 316 CB SER A 29 2.764 -6.264 5.383 1.00 0.00 C ATOM 317 OG SER A 29 3.889 -6.348 4.525 1.00 0.00 O ATOM 0 H SER A 29 0.765 -4.772 6.222 1.00 0.00 H new ATOM 0 HA SER A 29 1.783 -5.624 3.581 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.952 -5.525 6.162 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.610 -7.221 5.881 1.00 0.00 H new ATOM 0 HG SER A 29 4.681 -6.592 5.047 1.00 0.00 H new ATOM 323 N GLY A 30 0.636 -7.856 3.496 1.00 0.00 N ATOM 324 CA GLY A 30 -0.237 -9.005 3.348 1.00 0.00 C ATOM 325 C GLY A 30 0.329 -10.256 3.998 1.00 0.00 C ATOM 326 O GLY A 30 1.465 -10.250 4.471 1.00 0.00 O ATOM 0 H GLY A 30 1.305 -7.725 2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.208 -8.778 3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.405 -9.195 2.288 1.00 0.00 H new ATOM 330 N PRO A 31 -0.449 -11.350 4.037 1.00 0.00 N ATOM 331 CA PRO A 31 -0.007 -12.611 4.641 1.00 0.00 C ATOM 332 C PRO A 31 1.059 -13.312 3.806 1.00 0.00 C ATOM 333 O PRO A 31 1.618 -12.730 2.876 1.00 0.00 O ATOM 334 CB PRO A 31 -1.286 -13.449 4.686 1.00 0.00 C ATOM 335 CG PRO A 31 -2.127 -12.913 3.580 1.00 0.00 C ATOM 336 CD PRO A 31 -1.820 -11.444 3.498 1.00 0.00 C ATOM 0 HA PRO A 31 0.453 -12.456 5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.071 -14.508 4.543 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.789 -13.353 5.648 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.898 -13.412 2.639 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.186 -13.079 3.779 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.874 -11.079 2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.524 -10.853 4.084 1.00 0.00 H new ATOM 344 N ILE A 32 1.336 -14.566 4.148 1.00 0.00 N ATOM 345 CA ILE A 32 2.334 -15.353 3.434 1.00 0.00 C ATOM 346 C ILE A 32 1.871 -15.673 2.016 1.00 0.00 C ATOM 347 O ILE A 32 2.686 -15.857 1.113 1.00 0.00 O ATOM 348 CB ILE A 32 2.639 -16.670 4.175 1.00 0.00 C ATOM 349 CG1 ILE A 32 3.057 -16.385 5.619 1.00 0.00 C ATOM 350 CG2 ILE A 32 3.726 -17.453 3.450 1.00 0.00 C ATOM 351 CD1 ILE A 32 2.497 -17.375 6.617 1.00 0.00 C ATOM 0 H ILE A 32 0.882 -15.059 4.917 1.00 0.00 H new ATOM 0 HA ILE A 32 3.241 -14.751 3.387 1.00 0.00 H new ATOM 0 HB ILE A 32 1.732 -17.275 4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.145 -16.394 5.682 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.730 -15.382 5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.927 -18.379 3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.393 -17.686 2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.636 -16.855 3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.834 -17.111 7.619 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.408 -17.350 6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.845 -18.378 6.369 1.00 0.00 H new ATOM 363 N GLN A 33 0.558 -15.745 1.833 1.00 0.00 N ATOM 364 CA GLN A 33 -0.016 -16.049 0.527 1.00 0.00 C ATOM 365 C GLN A 33 0.252 -14.925 -0.469 1.00 0.00 C ATOM 366 O GLN A 33 0.305 -15.155 -1.678 1.00 0.00 O ATOM 367 CB GLN A 33 -1.522 -16.288 0.655 1.00 0.00 C ATOM 368 CG GLN A 33 -1.887 -17.292 1.737 1.00 0.00 C ATOM 369 CD GLN A 33 -1.413 -18.695 1.412 1.00 0.00 C ATOM 370 OE1 GLN A 33 -1.697 -19.227 0.338 1.00 0.00 O ATOM 371 NE2 GLN A 33 -0.686 -19.304 2.342 1.00 0.00 N ATOM 0 H GLN A 33 -0.129 -15.597 2.572 1.00 0.00 H new ATOM 0 HA GLN A 33 0.460 -16.955 0.153 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.015 -15.340 0.869 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.909 -16.640 -0.301 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.451 -16.975 2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.969 -17.299 1.871 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.474 -18.826 3.218 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.339 -20.250 2.180 1.00 0.00 H new ATOM 380 N LYS A 34 0.418 -13.708 0.042 1.00 0.00 N ATOM 381 CA LYS A 34 0.679 -12.554 -0.811 1.00 0.00 C ATOM 382 C LYS A 34 1.428 -11.463 -0.047 1.00 0.00 C ATOM 383 O LYS A 34 0.839 -10.460 0.356 1.00 0.00 O ATOM 384 CB LYS A 34 -0.634 -11.999 -1.365 1.00 0.00 C ATOM 385 CG LYS A 34 -0.527 -11.492 -2.794 1.00 0.00 C ATOM 386 CD LYS A 34 -1.749 -10.681 -3.194 1.00 0.00 C ATOM 387 CE LYS A 34 -2.226 -11.044 -4.591 1.00 0.00 C ATOM 388 NZ LYS A 34 -1.745 -10.075 -5.613 1.00 0.00 N ATOM 0 H LYS A 34 0.377 -13.497 1.039 1.00 0.00 H new ATOM 0 HA LYS A 34 1.307 -12.882 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.395 -12.778 -1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.974 -11.185 -0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.367 -10.878 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.413 -12.337 -3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.552 -10.854 -2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.510 -9.618 -3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.875 -12.044 -4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.315 -11.075 -4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.174 -10.299 -6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.015 -9.111 -5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.710 -10.137 -5.690 1.00 0.00 H new ATOM 402 N PRO A 35 2.743 -11.648 0.161 1.00 0.00 N ATOM 403 CA PRO A 35 3.571 -10.676 0.879 1.00 0.00 C ATOM 404 C PRO A 35 3.946 -9.481 0.008 1.00 0.00 C ATOM 405 O PRO A 35 4.365 -9.644 -1.138 1.00 0.00 O ATOM 406 CB PRO A 35 4.813 -11.486 1.240 1.00 0.00 C ATOM 407 CG PRO A 35 4.933 -12.492 0.147 1.00 0.00 C ATOM 408 CD PRO A 35 3.525 -12.818 -0.285 1.00 0.00 C ATOM 0 HA PRO A 35 3.056 -10.248 1.739 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.698 -10.852 1.295 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.704 -11.967 2.212 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.513 -12.094 -0.686 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.449 -13.386 0.496 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.459 -12.956 -1.364 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.167 -13.738 0.177 1.00 0.00 H new ATOM 416 N GLY A 36 3.793 -8.280 0.556 1.00 0.00 N ATOM 417 CA GLY A 36 4.122 -7.077 -0.188 1.00 0.00 C ATOM 418 C GLY A 36 3.534 -5.827 0.437 1.00 0.00 C ATOM 419 O GLY A 36 2.861 -5.896 1.465 1.00 0.00 O ATOM 0 H GLY A 36 3.447 -8.118 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.206 -6.975 -0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.756 -7.175 -1.210 1.00 0.00 H new ATOM 423 N ILE A 37 3.789 -4.681 -0.186 1.00 0.00 N ATOM 424 CA ILE A 37 3.282 -3.408 0.314 1.00 0.00 C ATOM 425 C ILE A 37 1.900 -3.107 -0.254 1.00 0.00 C ATOM 426 O ILE A 37 1.742 -2.910 -1.460 1.00 0.00 O ATOM 427 CB ILE A 37 4.231 -2.246 -0.033 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.681 -2.633 0.262 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.843 -0.995 0.743 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.917 -3.042 1.700 1.00 0.00 C ATOM 0 H ILE A 37 4.344 -4.608 -1.039 1.00 0.00 H new ATOM 0 HA ILE A 37 3.216 -3.499 1.398 1.00 0.00 H new ATOM 0 HB ILE A 37 4.143 -2.033 -1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.970 -3.455 -0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.330 -1.791 0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.523 -0.183 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.823 -0.709 0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.905 -1.196 1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.966 -3.303 1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.660 -2.214 2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.295 -3.904 1.940 1.00 0.00 H new ATOM 442 N PHE A 38 0.899 -3.076 0.620 1.00 0.00 N ATOM 443 CA PHE A 38 -0.472 -2.802 0.204 1.00 0.00 C ATOM 444 C PHE A 38 -0.925 -1.426 0.675 1.00 0.00 C ATOM 445 O PHE A 38 -0.213 -0.745 1.414 1.00 0.00 O ATOM 446 CB PHE A 38 -1.414 -3.879 0.747 1.00 0.00 C ATOM 447 CG PHE A 38 -1.050 -5.267 0.304 1.00 0.00 C ATOM 448 CD1 PHE A 38 0.067 -5.902 0.821 1.00 0.00 C ATOM 449 CD2 PHE A 38 -1.823 -5.933 -0.631 1.00 0.00 C ATOM 450 CE1 PHE A 38 0.406 -7.177 0.413 1.00 0.00 C ATOM 451 CE2 PHE A 38 -1.490 -7.208 -1.044 1.00 0.00 C ATOM 452 CZ PHE A 38 -0.374 -7.832 -0.521 1.00 0.00 C ATOM 0 H PHE A 38 1.012 -3.237 1.621 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.503 -2.815 -0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.409 -3.840 1.836 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.431 -3.658 0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.680 -5.394 1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.697 -5.450 -1.042 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.280 -7.662 0.823 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.101 -7.717 -1.775 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.112 -8.829 -0.841 1.00 0.00 H new ATOM 462 N ILE A 39 -2.112 -1.022 0.236 1.00 0.00 N ATOM 463 CA ILE A 39 -2.661 0.276 0.604 1.00 0.00 C ATOM 464 C ILE A 39 -3.816 0.129 1.591 1.00 0.00 C ATOM 465 O ILE A 39 -4.729 -0.672 1.388 1.00 0.00 O ATOM 466 CB ILE A 39 -3.141 1.050 -0.645 1.00 0.00 C ATOM 467 CG1 ILE A 39 -1.938 1.567 -1.438 1.00 0.00 C ATOM 468 CG2 ILE A 39 -4.058 2.202 -0.256 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.201 2.699 -0.751 1.00 0.00 C ATOM 0 H ILE A 39 -2.712 -1.576 -0.375 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.861 0.840 1.084 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.711 0.366 -1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.245 0.744 -1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.277 1.906 -2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.381 2.729 -1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.930 1.812 0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.521 2.891 0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.361 3.015 -1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.880 3.539 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.831 2.358 0.216 1.00 0.00 H new ATOM 481 N SER A 40 -3.764 0.916 2.656 1.00 0.00 N ATOM 482 CA SER A 40 -4.793 0.903 3.686 1.00 0.00 C ATOM 483 C SER A 40 -5.668 2.149 3.584 1.00 0.00 C ATOM 484 O SER A 40 -5.596 2.890 2.604 1.00 0.00 O ATOM 485 CB SER A 40 -4.164 0.815 5.079 1.00 0.00 C ATOM 486 OG SER A 40 -4.943 0.001 5.940 1.00 0.00 O ATOM 0 H SER A 40 -3.010 1.580 2.830 1.00 0.00 H new ATOM 0 HA SER A 40 -5.417 0.023 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.156 0.407 5.001 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.072 1.815 5.504 1.00 0.00 H new ATOM 0 HG SER A 40 -4.519 -0.041 6.823 1.00 0.00 H new ATOM 492 N HIS A 41 -6.496 2.370 4.599 1.00 0.00 N ATOM 493 CA HIS A 41 -7.394 3.523 4.629 1.00 0.00 C ATOM 494 C HIS A 41 -6.666 4.803 4.230 1.00 0.00 C ATOM 495 O HIS A 41 -5.513 5.019 4.607 1.00 0.00 O ATOM 496 CB HIS A 41 -8.003 3.685 6.022 1.00 0.00 C ATOM 497 CG HIS A 41 -9.168 4.624 6.059 1.00 0.00 C ATOM 498 ND1 HIS A 41 -9.064 5.967 5.759 1.00 0.00 N ATOM 499 CD2 HIS A 41 -10.472 4.410 6.362 1.00 0.00 C ATOM 500 CE1 HIS A 41 -10.250 6.536 5.877 1.00 0.00 C ATOM 501 NE2 HIS A 41 -11.121 5.614 6.242 1.00 0.00 N ATOM 0 H HIS A 41 -6.565 1.764 5.416 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.190 3.344 3.906 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -8.322 2.708 6.386 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -7.235 4.045 6.706 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -8.205 6.446 5.488 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -10.917 3.468 6.645 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.470 7.579 5.704 1.00 0.00 H new ATOM 510 N VAL A 42 -7.346 5.646 3.462 1.00 0.00 N ATOM 511 CA VAL A 42 -6.767 6.904 3.008 1.00 0.00 C ATOM 512 C VAL A 42 -7.411 8.093 3.714 1.00 0.00 C ATOM 513 O VAL A 42 -8.532 7.998 4.213 1.00 0.00 O ATOM 514 CB VAL A 42 -6.922 7.074 1.484 1.00 0.00 C ATOM 515 CG1 VAL A 42 -6.170 8.306 1.004 1.00 0.00 C ATOM 516 CG2 VAL A 42 -6.439 5.828 0.756 1.00 0.00 C ATOM 0 H VAL A 42 -8.300 5.481 3.140 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.706 6.873 3.255 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.979 7.212 1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.291 8.409 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.568 9.191 1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.111 8.202 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.556 5.966 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.388 5.656 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.027 4.968 1.077 1.00 0.00 H new ATOM 526 N LYS A 43 -6.695 9.211 3.751 1.00 0.00 N ATOM 527 CA LYS A 43 -7.193 10.420 4.397 1.00 0.00 C ATOM 528 C LYS A 43 -7.562 11.482 3.360 1.00 0.00 C ATOM 529 O LYS A 43 -6.718 11.903 2.569 1.00 0.00 O ATOM 530 CB LYS A 43 -6.141 10.979 5.358 1.00 0.00 C ATOM 531 CG LYS A 43 -6.130 10.295 6.715 1.00 0.00 C ATOM 532 CD LYS A 43 -5.888 11.291 7.838 1.00 0.00 C ATOM 533 CE LYS A 43 -6.222 10.693 9.196 1.00 0.00 C ATOM 534 NZ LYS A 43 -6.959 11.655 10.061 1.00 0.00 N ATOM 0 H LYS A 43 -5.766 9.305 3.340 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.090 10.157 4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.156 10.879 4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.320 12.045 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.081 9.788 6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.354 9.530 6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.845 11.608 7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.494 12.182 7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.823 9.794 9.059 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.302 10.388 9.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.168 11.209 10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.375 12.502 10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.849 11.927 9.598 1.00 0.00 H new ATOM 548 N PRO A 44 -8.830 11.936 3.350 1.00 0.00 N ATOM 549 CA PRO A 44 -9.292 12.956 2.403 1.00 0.00 C ATOM 550 C PRO A 44 -8.448 14.225 2.468 1.00 0.00 C ATOM 551 O PRO A 44 -7.888 14.556 3.512 1.00 0.00 O ATOM 552 CB PRO A 44 -10.727 13.244 2.854 1.00 0.00 C ATOM 553 CG PRO A 44 -11.148 12.024 3.596 1.00 0.00 C ATOM 554 CD PRO A 44 -9.906 11.497 4.257 1.00 0.00 C ATOM 0 HA PRO A 44 -9.220 12.615 1.370 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.771 14.128 3.490 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.379 13.432 2.001 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.914 12.261 4.335 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.575 11.283 2.920 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.779 11.905 5.260 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.932 10.412 4.356 1.00 0.00 H new ATOM 562 N GLY A 45 -8.361 14.932 1.345 1.00 0.00 N ATOM 563 CA GLY A 45 -7.580 16.155 1.299 1.00 0.00 C ATOM 564 C GLY A 45 -6.095 15.898 1.452 1.00 0.00 C ATOM 565 O GLY A 45 -5.440 16.486 2.315 1.00 0.00 O ATOM 0 H GLY A 45 -8.816 14.680 0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.762 16.664 0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.913 16.826 2.091 1.00 0.00 H new ATOM 569 N SER A 46 -5.563 15.015 0.615 1.00 0.00 N ATOM 570 CA SER A 46 -4.145 14.675 0.658 1.00 0.00 C ATOM 571 C SER A 46 -3.650 14.247 -0.719 1.00 0.00 C ATOM 572 O SER A 46 -4.355 14.399 -1.717 1.00 0.00 O ATOM 573 CB SER A 46 -3.902 13.556 1.670 1.00 0.00 C ATOM 574 OG SER A 46 -2.668 13.737 2.345 1.00 0.00 O ATOM 0 H SER A 46 -6.093 14.521 -0.103 1.00 0.00 H new ATOM 0 HA SER A 46 -3.590 15.561 0.965 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.716 13.533 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.903 12.593 1.159 1.00 0.00 H new ATOM 0 HG SER A 46 -1.929 13.610 1.714 1.00 0.00 H new ATOM 580 N LEU A 47 -2.438 13.704 -0.768 1.00 0.00 N ATOM 581 CA LEU A 47 -1.860 13.250 -2.025 1.00 0.00 C ATOM 582 C LEU A 47 -2.487 11.929 -2.451 1.00 0.00 C ATOM 583 O LEU A 47 -2.874 11.757 -3.607 1.00 0.00 O ATOM 584 CB LEU A 47 -0.342 13.090 -1.897 1.00 0.00 C ATOM 585 CG LEU A 47 0.427 14.366 -1.542 1.00 0.00 C ATOM 586 CD1 LEU A 47 -0.065 15.544 -2.370 1.00 0.00 C ATOM 587 CD2 LEU A 47 0.305 14.667 -0.057 1.00 0.00 C ATOM 0 H LEU A 47 -1.839 13.568 0.047 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.068 14.003 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.136 12.338 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.046 12.703 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 47 1.479 14.204 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.496 16.438 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.081 15.330 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.125 15.708 -2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.858 15.577 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.745 14.804 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.715 13.836 0.517 1.00 0.00 H new ATOM 599 N SER A 48 -2.589 10.999 -1.506 1.00 0.00 N ATOM 600 CA SER A 48 -3.174 9.690 -1.781 1.00 0.00 C ATOM 601 C SER A 48 -4.587 9.833 -2.342 1.00 0.00 C ATOM 602 O SER A 48 -4.969 9.132 -3.278 1.00 0.00 O ATOM 603 CB SER A 48 -3.200 8.844 -0.506 1.00 0.00 C ATOM 604 OG SER A 48 -3.600 7.514 -0.781 1.00 0.00 O ATOM 0 H SER A 48 -2.275 11.127 -0.544 1.00 0.00 H new ATOM 0 HA SER A 48 -2.556 9.191 -2.527 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.211 8.842 -0.048 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.884 9.290 0.216 1.00 0.00 H new ATOM 0 HG SER A 48 -4.578 7.454 -0.751 1.00 0.00 H new ATOM 610 N ALA A 49 -5.359 10.746 -1.763 1.00 0.00 N ATOM 611 CA ALA A 49 -6.728 10.980 -2.207 1.00 0.00 C ATOM 612 C ALA A 49 -6.754 11.665 -3.568 1.00 0.00 C ATOM 613 O ALA A 49 -7.596 11.361 -4.413 1.00 0.00 O ATOM 614 CB ALA A 49 -7.480 11.814 -1.183 1.00 0.00 C ATOM 0 H ALA A 49 -5.060 11.336 -0.986 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.221 10.013 -2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.500 11.981 -1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.501 11.287 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.979 12.774 -1.056 1.00 0.00 H new ATOM 620 N GLU A 50 -5.829 12.596 -3.771 1.00 0.00 N ATOM 621 CA GLU A 50 -5.743 13.332 -5.025 1.00 0.00 C ATOM 622 C GLU A 50 -5.407 12.401 -6.188 1.00 0.00 C ATOM 623 O GLU A 50 -5.887 12.591 -7.305 1.00 0.00 O ATOM 624 CB GLU A 50 -4.690 14.436 -4.921 1.00 0.00 C ATOM 625 CG GLU A 50 -5.257 15.781 -4.498 1.00 0.00 C ATOM 626 CD GLU A 50 -5.939 16.509 -5.640 1.00 0.00 C ATOM 627 OE1 GLU A 50 -5.227 17.126 -6.461 1.00 0.00 O ATOM 628 OE2 GLU A 50 -7.184 16.466 -5.713 1.00 0.00 O ATOM 0 H GLU A 50 -5.126 12.859 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.717 13.782 -5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.927 14.132 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.196 14.547 -5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.971 15.632 -3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.453 16.403 -4.104 1.00 0.00 H new ATOM 635 N VAL A 51 -4.581 11.398 -5.918 1.00 0.00 N ATOM 636 CA VAL A 51 -4.181 10.443 -6.945 1.00 0.00 C ATOM 637 C VAL A 51 -5.282 9.419 -7.208 1.00 0.00 C ATOM 638 O VAL A 51 -5.391 8.882 -8.309 1.00 0.00 O ATOM 639 CB VAL A 51 -2.888 9.703 -6.554 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.718 10.672 -6.491 1.00 0.00 C ATOM 641 CG2 VAL A 51 -3.065 8.984 -5.224 1.00 0.00 C ATOM 0 H VAL A 51 -4.175 11.224 -4.998 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.000 11.017 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.673 8.957 -7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.813 10.132 -6.213 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.578 11.137 -7.467 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.923 11.442 -5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.141 8.467 -4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.305 9.710 -4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.875 8.260 -5.307 1.00 0.00 H new ATOM 651 N GLY A 52 -6.098 9.156 -6.192 1.00 0.00 N ATOM 652 CA GLY A 52 -7.178 8.199 -6.340 1.00 0.00 C ATOM 653 C GLY A 52 -6.891 6.884 -5.641 1.00 0.00 C ATOM 654 O GLY A 52 -7.353 5.829 -6.075 1.00 0.00 O ATOM 0 H GLY A 52 -6.030 9.588 -5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.096 8.627 -5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.351 8.013 -7.400 1.00 0.00 H new ATOM 658 N LEU A 53 -6.125 6.948 -4.557 1.00 0.00 N ATOM 659 CA LEU A 53 -5.775 5.755 -3.797 1.00 0.00 C ATOM 660 C LEU A 53 -6.955 5.282 -2.952 1.00 0.00 C ATOM 661 O LEU A 53 -7.931 6.010 -2.770 1.00 0.00 O ATOM 662 CB LEU A 53 -4.570 6.037 -2.898 1.00 0.00 C ATOM 663 CG LEU A 53 -3.207 5.737 -3.526 1.00 0.00 C ATOM 664 CD1 LEU A 53 -2.083 6.247 -2.635 1.00 0.00 C ATOM 665 CD2 LEU A 53 -3.053 4.246 -3.772 1.00 0.00 C ATOM 0 H LEU A 53 -5.735 7.814 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.518 4.965 -4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.594 7.086 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.670 5.448 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.149 6.254 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.122 6.024 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.182 7.325 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.139 5.758 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.078 4.050 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.133 3.711 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.837 3.906 -4.448 1.00 0.00 H new ATOM 677 N GLU A 54 -6.857 4.061 -2.438 1.00 0.00 N ATOM 678 CA GLU A 54 -7.915 3.489 -1.612 1.00 0.00 C ATOM 679 C GLU A 54 -7.537 2.088 -1.142 1.00 0.00 C ATOM 680 O GLU A 54 -6.731 1.408 -1.777 1.00 0.00 O ATOM 681 CB GLU A 54 -9.233 3.444 -2.391 1.00 0.00 C ATOM 682 CG GLU A 54 -10.289 4.400 -1.856 1.00 0.00 C ATOM 683 CD GLU A 54 -11.561 4.384 -2.680 1.00 0.00 C ATOM 684 OE1 GLU A 54 -11.476 4.123 -3.898 1.00 0.00 O ATOM 685 OE2 GLU A 54 -12.642 4.634 -2.107 1.00 0.00 O ATOM 0 H GLU A 54 -6.055 3.447 -2.579 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.044 4.124 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.036 3.682 -3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.627 2.428 -2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.525 4.135 -0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.883 5.412 -1.840 1.00 0.00 H new ATOM 692 N ILE A 55 -8.124 1.659 -0.028 1.00 0.00 N ATOM 693 CA ILE A 55 -7.847 0.337 0.522 1.00 0.00 C ATOM 694 C ILE A 55 -8.054 -0.748 -0.531 1.00 0.00 C ATOM 695 O ILE A 55 -9.071 -0.768 -1.226 1.00 0.00 O ATOM 696 CB ILE A 55 -8.741 0.033 1.742 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.620 1.148 2.783 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.369 -1.311 2.354 1.00 0.00 C ATOM 699 CD1 ILE A 55 -9.948 1.567 3.376 1.00 0.00 C ATOM 0 H ILE A 55 -8.794 2.208 0.511 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.805 0.339 0.840 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.777 -0.017 1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.962 0.815 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.147 2.015 2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.010 -1.509 3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.503 -2.098 1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.328 -1.289 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.786 2.360 4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.602 1.931 2.583 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.413 0.712 3.867 1.00 0.00 H new ATOM 711 N GLY A 56 -7.081 -1.644 -0.648 1.00 0.00 N ATOM 712 CA GLY A 56 -7.173 -2.715 -1.622 1.00 0.00 C ATOM 713 C GLY A 56 -6.076 -2.638 -2.667 1.00 0.00 C ATOM 714 O GLY A 56 -5.699 -3.648 -3.256 1.00 0.00 O ATOM 0 H GLY A 56 -6.230 -1.648 -0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.117 -3.675 -1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.145 -2.673 -2.114 1.00 0.00 H new ATOM 718 N ASP A 57 -5.562 -1.434 -2.893 1.00 0.00 N ATOM 719 CA ASP A 57 -4.501 -1.230 -3.871 1.00 0.00 C ATOM 720 C ASP A 57 -3.198 -1.865 -3.392 1.00 0.00 C ATOM 721 O ASP A 57 -3.069 -2.227 -2.223 1.00 0.00 O ATOM 722 CB ASP A 57 -4.296 0.265 -4.121 1.00 0.00 C ATOM 723 CG ASP A 57 -5.272 0.820 -5.139 1.00 0.00 C ATOM 724 OD1 ASP A 57 -5.825 0.025 -5.927 1.00 0.00 O ATOM 725 OD2 ASP A 57 -5.484 2.052 -5.149 1.00 0.00 O ATOM 0 H ASP A 57 -5.863 -0.586 -2.413 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.796 -1.709 -4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.408 0.806 -3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.277 0.436 -4.468 1.00 0.00 H new ATOM 730 N GLN A 58 -2.235 -1.994 -4.298 1.00 0.00 N ATOM 731 CA GLN A 58 -0.945 -2.587 -3.960 1.00 0.00 C ATOM 732 C GLN A 58 0.178 -1.966 -4.786 1.00 0.00 C ATOM 733 O GLN A 58 0.216 -2.111 -6.007 1.00 0.00 O ATOM 734 CB GLN A 58 -0.982 -4.099 -4.187 1.00 0.00 C ATOM 735 CG GLN A 58 -0.081 -4.879 -3.243 1.00 0.00 C ATOM 736 CD GLN A 58 1.173 -5.391 -3.925 1.00 0.00 C ATOM 737 OE1 GLN A 58 2.248 -4.805 -3.795 1.00 0.00 O ATOM 738 NE2 GLN A 58 1.040 -6.490 -4.657 1.00 0.00 N ATOM 0 H GLN A 58 -2.322 -1.697 -5.270 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.748 -2.386 -2.907 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.007 -4.450 -4.070 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.687 -4.311 -5.215 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.200 -4.241 -2.405 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.636 -5.722 -2.830 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.129 -6.943 -4.737 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.848 -6.882 -5.140 1.00 0.00 H new ATOM 747 N ILE A 59 1.092 -1.277 -4.109 1.00 0.00 N ATOM 748 CA ILE A 59 2.217 -0.637 -4.781 1.00 0.00 C ATOM 749 C ILE A 59 3.189 -1.679 -5.321 1.00 0.00 C ATOM 750 O ILE A 59 3.778 -2.447 -4.561 1.00 0.00 O ATOM 751 CB ILE A 59 2.972 0.315 -3.832 1.00 0.00 C ATOM 752 CG1 ILE A 59 1.993 1.280 -3.158 1.00 0.00 C ATOM 753 CG2 ILE A 59 4.042 1.084 -4.590 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.628 2.126 -2.076 1.00 0.00 C ATOM 0 H ILE A 59 1.075 -1.148 -3.097 1.00 0.00 H new ATOM 0 HA ILE A 59 1.809 -0.058 -5.609 1.00 0.00 H new ATOM 0 HB ILE A 59 3.460 -0.280 -3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.562 1.936 -3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.171 0.709 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.565 1.751 -3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.753 0.383 -5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.576 1.670 -5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.877 2.786 -1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.034 1.478 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.431 2.724 -2.506 1.00 0.00 H new ATOM 766 N VAL A 60 3.347 -1.704 -6.641 1.00 0.00 N ATOM 767 CA VAL A 60 4.242 -2.656 -7.287 1.00 0.00 C ATOM 768 C VAL A 60 5.594 -2.025 -7.621 1.00 0.00 C ATOM 769 O VAL A 60 6.560 -2.731 -7.907 1.00 0.00 O ATOM 770 CB VAL A 60 3.617 -3.223 -8.576 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.339 -3.986 -8.258 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.345 -2.107 -9.575 1.00 0.00 C ATOM 0 H VAL A 60 2.866 -1.075 -7.284 1.00 0.00 H new ATOM 0 HA VAL A 60 4.399 -3.467 -6.576 1.00 0.00 H new ATOM 0 HB VAL A 60 4.326 -3.917 -9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.911 -4.379 -9.180 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.566 -4.811 -7.583 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.623 -3.315 -7.783 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.904 -2.527 -10.479 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.656 -1.386 -9.136 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.281 -1.608 -9.826 1.00 0.00 H new ATOM 782 N GLU A 61 5.658 -0.696 -7.586 1.00 0.00 N ATOM 783 CA GLU A 61 6.898 0.013 -7.887 1.00 0.00 C ATOM 784 C GLU A 61 6.890 1.416 -7.286 1.00 0.00 C ATOM 785 O GLU A 61 5.830 1.998 -7.055 1.00 0.00 O ATOM 786 CB GLU A 61 7.105 0.097 -9.401 1.00 0.00 C ATOM 787 CG GLU A 61 8.568 0.131 -9.815 1.00 0.00 C ATOM 788 CD GLU A 61 8.798 0.948 -11.070 1.00 0.00 C ATOM 789 OE1 GLU A 61 7.964 1.828 -11.369 1.00 0.00 O ATOM 790 OE2 GLU A 61 9.815 0.709 -11.755 1.00 0.00 O ATOM 0 H GLU A 61 4.870 -0.092 -7.353 1.00 0.00 H new ATOM 0 HA GLU A 61 7.721 -0.546 -7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.622 -0.759 -9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.609 0.991 -9.778 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.163 0.546 -9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.919 -0.888 -9.979 1.00 0.00 H new ATOM 797 N VAL A 62 8.082 1.952 -7.037 1.00 0.00 N ATOM 798 CA VAL A 62 8.218 3.286 -6.466 1.00 0.00 C ATOM 799 C VAL A 62 9.533 3.932 -6.892 1.00 0.00 C ATOM 800 O VAL A 62 10.598 3.593 -6.378 1.00 0.00 O ATOM 801 CB VAL A 62 8.148 3.250 -4.926 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.219 4.658 -4.348 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.885 2.539 -4.468 1.00 0.00 C ATOM 0 H VAL A 62 8.968 1.481 -7.222 1.00 0.00 H new ATOM 0 HA VAL A 62 7.385 3.879 -6.843 1.00 0.00 H new ATOM 0 HB VAL A 62 9.008 2.692 -4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.168 4.608 -3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.157 5.127 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.383 5.248 -4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.851 2.522 -3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.011 3.067 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.885 1.517 -4.846 1.00 0.00 H new ATOM 813 N ASN A 63 9.450 4.864 -7.836 1.00 0.00 N ATOM 814 CA ASN A 63 10.632 5.558 -8.333 1.00 0.00 C ATOM 815 C ASN A 63 11.626 4.572 -8.942 1.00 0.00 C ATOM 816 O ASN A 63 12.837 4.788 -8.895 1.00 0.00 O ATOM 817 CB ASN A 63 11.300 6.342 -7.204 1.00 0.00 C ATOM 818 CG ASN A 63 11.920 7.639 -7.685 1.00 0.00 C ATOM 819 OD1 ASN A 63 11.239 8.750 -7.431 1.00 0.00 O flip ATOM 820 ND2 ASN A 63 12.999 7.643 -8.280 1.00 0.00 N flip ATOM 0 H ASN A 63 8.576 5.156 -8.272 1.00 0.00 H new ATOM 0 HA ASN A 63 10.315 6.253 -9.110 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.562 6.560 -6.432 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.070 5.724 -6.743 1.00 0.00 H new ATOM 0 HD21 ASN A 63 13.489 6.765 -8.454 1.00 0.00 H new ATOM 0 HD22 ASN A 63 13.403 8.524 -8.598 1.00 0.00 H new ATOM 827 N GLY A 64 11.104 3.490 -9.512 1.00 0.00 N ATOM 828 CA GLY A 64 11.958 2.488 -10.122 1.00 0.00 C ATOM 829 C GLY A 64 12.238 1.323 -9.195 1.00 0.00 C ATOM 830 O GLY A 64 12.469 0.202 -9.648 1.00 0.00 O ATOM 0 H GLY A 64 10.105 3.290 -9.562 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.486 2.119 -11.032 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.901 2.949 -10.416 1.00 0.00 H new ATOM 834 N VAL A 65 12.217 1.586 -7.892 1.00 0.00 N ATOM 835 CA VAL A 65 12.470 0.550 -6.898 1.00 0.00 C ATOM 836 C VAL A 65 11.407 -0.543 -6.960 1.00 0.00 C ATOM 837 O VAL A 65 10.210 -0.262 -6.892 1.00 0.00 O ATOM 838 CB VAL A 65 12.505 1.134 -5.474 1.00 0.00 C ATOM 839 CG1 VAL A 65 12.967 0.082 -4.476 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.404 2.359 -5.421 1.00 0.00 C ATOM 0 H VAL A 65 12.027 2.508 -7.500 1.00 0.00 H new ATOM 0 HA VAL A 65 13.444 0.120 -7.131 1.00 0.00 H new ATOM 0 HB VAL A 65 11.495 1.441 -5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.985 0.513 -3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.279 -0.764 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.968 -0.258 -4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.416 2.758 -4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.416 2.080 -5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.025 3.118 -6.105 1.00 0.00 H new ATOM 850 N ASP A 66 11.853 -1.787 -7.093 1.00 0.00 N ATOM 851 CA ASP A 66 10.939 -2.922 -7.165 1.00 0.00 C ATOM 852 C ASP A 66 10.180 -3.094 -5.852 1.00 0.00 C ATOM 853 O ASP A 66 10.766 -3.429 -4.823 1.00 0.00 O ATOM 854 CB ASP A 66 11.709 -4.203 -7.496 1.00 0.00 C ATOM 855 CG ASP A 66 11.182 -4.890 -8.741 1.00 0.00 C ATOM 856 OD1 ASP A 66 11.216 -4.266 -9.822 1.00 0.00 O ATOM 857 OD2 ASP A 66 10.733 -6.051 -8.634 1.00 0.00 O ATOM 0 H ASP A 66 12.840 -2.036 -7.153 1.00 0.00 H new ATOM 0 HA ASP A 66 10.217 -2.726 -7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.763 -3.964 -7.635 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.646 -4.890 -6.652 1.00 0.00 H new ATOM 862 N PHE A 67 8.871 -2.864 -5.897 1.00 0.00 N ATOM 863 CA PHE A 67 8.031 -2.993 -4.713 1.00 0.00 C ATOM 864 C PHE A 67 7.310 -4.341 -4.688 1.00 0.00 C ATOM 865 O PHE A 67 6.398 -4.550 -3.888 1.00 0.00 O ATOM 866 CB PHE A 67 7.011 -1.853 -4.659 1.00 0.00 C ATOM 867 CG PHE A 67 7.365 -0.774 -3.677 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.651 -0.257 -3.628 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.412 -0.273 -2.805 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.978 0.738 -2.728 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.733 0.721 -1.902 1.00 0.00 C ATOM 872 CZ PHE A 67 8.019 1.227 -1.863 1.00 0.00 C ATOM 0 H PHE A 67 8.370 -2.587 -6.741 1.00 0.00 H new ATOM 0 HA PHE A 67 8.678 -2.937 -3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.918 -1.413 -5.652 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.035 -2.262 -4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.405 -0.637 -4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.406 -0.665 -2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.983 1.133 -2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.981 1.103 -1.227 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.273 2.004 -1.157 1.00 0.00 H new ATOM 882 N SER A 68 7.721 -5.253 -5.567 1.00 0.00 N ATOM 883 CA SER A 68 7.109 -6.574 -5.635 1.00 0.00 C ATOM 884 C SER A 68 7.516 -7.419 -4.434 1.00 0.00 C ATOM 885 O SER A 68 6.685 -8.091 -3.823 1.00 0.00 O ATOM 886 CB SER A 68 7.511 -7.280 -6.932 1.00 0.00 C ATOM 887 OG SER A 68 7.068 -6.555 -8.066 1.00 0.00 O ATOM 0 H SER A 68 8.473 -5.100 -6.239 1.00 0.00 H new ATOM 0 HA SER A 68 6.026 -6.449 -5.621 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.595 -7.391 -6.968 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.087 -8.284 -6.950 1.00 0.00 H new ATOM 0 HG SER A 68 7.339 -7.026 -8.882 1.00 0.00 H new ATOM 893 N ASN A 69 8.802 -7.379 -4.098 1.00 0.00 N ATOM 894 CA ASN A 69 9.322 -8.136 -2.967 1.00 0.00 C ATOM 895 C ASN A 69 10.019 -7.213 -1.972 1.00 0.00 C ATOM 896 O ASN A 69 10.962 -7.615 -1.292 1.00 0.00 O ATOM 897 CB ASN A 69 10.296 -9.212 -3.451 1.00 0.00 C ATOM 898 CG ASN A 69 10.306 -10.431 -2.549 1.00 0.00 C ATOM 899 OD1 ASN A 69 10.022 -10.335 -1.355 1.00 0.00 O ATOM 900 ND2 ASN A 69 10.634 -11.585 -3.117 1.00 0.00 N ATOM 0 H ASN A 69 9.503 -6.829 -4.595 1.00 0.00 H new ATOM 0 HA ASN A 69 8.482 -8.616 -2.465 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.026 -9.514 -4.463 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.301 -8.792 -3.501 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.658 -12.439 -2.560 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.862 -11.618 -4.111 1.00 0.00 H new ATOM 907 N LEU A 70 9.548 -5.972 -1.896 1.00 0.00 N ATOM 908 CA LEU A 70 10.124 -4.989 -0.985 1.00 0.00 C ATOM 909 C LEU A 70 9.568 -5.161 0.423 1.00 0.00 C ATOM 910 O LEU A 70 8.413 -5.543 0.604 1.00 0.00 O ATOM 911 CB LEU A 70 9.844 -3.572 -1.488 1.00 0.00 C ATOM 912 CG LEU A 70 10.478 -2.452 -0.656 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.629 -1.808 -1.413 1.00 0.00 C ATOM 914 CD2 LEU A 70 9.437 -1.408 -0.281 1.00 0.00 C ATOM 0 H LEU A 70 8.769 -5.623 -2.454 1.00 0.00 H new ATOM 0 HA LEU A 70 11.202 -5.149 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.203 -3.489 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.765 -3.418 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 70 10.872 -2.890 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.066 -1.015 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.388 -2.560 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.259 -1.387 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.907 -0.621 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.012 -0.977 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.646 -1.877 0.304 1.00 0.00 H new ATOM 926 N ASP A 71 10.400 -4.875 1.421 1.00 0.00 N ATOM 927 CA ASP A 71 9.990 -4.998 2.816 1.00 0.00 C ATOM 928 C ASP A 71 9.038 -3.871 3.203 1.00 0.00 C ATOM 929 O ASP A 71 8.886 -2.894 2.471 1.00 0.00 O ATOM 930 CB ASP A 71 11.217 -4.990 3.731 1.00 0.00 C ATOM 931 CG ASP A 71 11.222 -6.155 4.701 1.00 0.00 C ATOM 932 OD1 ASP A 71 10.141 -6.730 4.944 1.00 0.00 O ATOM 933 OD2 ASP A 71 12.308 -6.491 5.217 1.00 0.00 O ATOM 0 H ASP A 71 11.360 -4.557 1.290 1.00 0.00 H new ATOM 0 HA ASP A 71 9.465 -5.946 2.936 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.121 -5.023 3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.244 -4.055 4.290 1.00 0.00 H new ATOM 938 N HIS A 72 8.399 -4.015 4.360 1.00 0.00 N ATOM 939 CA HIS A 72 7.462 -3.009 4.847 1.00 0.00 C ATOM 940 C HIS A 72 8.184 -1.706 5.176 1.00 0.00 C ATOM 941 O HIS A 72 7.832 -0.643 4.665 1.00 0.00 O ATOM 942 CB HIS A 72 6.726 -3.527 6.084 1.00 0.00 C ATOM 943 CG HIS A 72 5.542 -2.695 6.468 1.00 0.00 C ATOM 944 ND1 HIS A 72 4.243 -3.048 6.163 1.00 0.00 N ATOM 945 CD2 HIS A 72 5.464 -1.519 7.135 1.00 0.00 C ATOM 946 CE1 HIS A 72 3.420 -2.125 6.628 1.00 0.00 C ATOM 947 NE2 HIS A 72 4.134 -1.187 7.222 1.00 0.00 N ATOM 0 H HIS A 72 8.513 -4.819 4.978 1.00 0.00 H new ATOM 0 HA HIS A 72 6.737 -2.810 4.058 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.397 -4.549 5.899 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.422 -3.563 6.922 1.00 0.00 H new ATOM 0 HD1 HIS A 72 3.963 -3.889 5.658 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.293 -0.948 7.526 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.344 -2.136 6.537 1.00 0.00 H new ATOM 956 N LYS A 73 9.197 -1.798 6.033 1.00 0.00 N ATOM 957 CA LYS A 73 9.969 -0.625 6.430 1.00 0.00 C ATOM 958 C LYS A 73 10.603 0.043 5.214 1.00 0.00 C ATOM 959 O LYS A 73 10.654 1.270 5.123 1.00 0.00 O ATOM 960 CB LYS A 73 11.053 -1.019 7.439 1.00 0.00 C ATOM 961 CG LYS A 73 10.817 -0.461 8.832 1.00 0.00 C ATOM 962 CD LYS A 73 10.729 1.056 8.818 1.00 0.00 C ATOM 963 CE LYS A 73 11.346 1.661 10.068 1.00 0.00 C ATOM 964 NZ LYS A 73 10.368 1.739 11.189 1.00 0.00 N ATOM 0 H LYS A 73 9.502 -2.670 6.465 1.00 0.00 H new ATOM 0 HA LYS A 73 9.290 0.087 6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.107 -2.106 7.496 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.020 -0.671 7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.895 -0.876 9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.626 -0.773 9.492 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.239 1.443 7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.685 1.360 8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.204 1.063 10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.719 2.660 9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.828 2.157 12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.561 2.331 10.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.031 0.783 11.423 1.00 0.00 H new ATOM 978 N GLU A 74 11.081 -0.772 4.279 1.00 0.00 N ATOM 979 CA GLU A 74 11.708 -0.259 3.068 1.00 0.00 C ATOM 980 C GLU A 74 10.725 0.592 2.269 1.00 0.00 C ATOM 981 O GLU A 74 11.100 1.611 1.690 1.00 0.00 O ATOM 982 CB GLU A 74 12.219 -1.413 2.204 1.00 0.00 C ATOM 983 CG GLU A 74 13.652 -1.817 2.513 1.00 0.00 C ATOM 984 CD GLU A 74 14.278 -2.638 1.404 1.00 0.00 C ATOM 985 OE1 GLU A 74 13.842 -2.498 0.241 1.00 0.00 O ATOM 986 OE2 GLU A 74 15.204 -3.423 1.697 1.00 0.00 O ATOM 0 H GLU A 74 11.046 -1.790 4.337 1.00 0.00 H new ATOM 0 HA GLU A 74 12.551 0.366 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.569 -2.276 2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.149 -1.128 1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.250 -0.921 2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.672 -2.390 3.440 1.00 0.00 H new ATOM 993 N ALA A 75 9.467 0.168 2.248 1.00 0.00 N ATOM 994 CA ALA A 75 8.428 0.891 1.524 1.00 0.00 C ATOM 995 C ALA A 75 8.173 2.255 2.154 1.00 0.00 C ATOM 996 O ALA A 75 8.085 3.267 1.458 1.00 0.00 O ATOM 997 CB ALA A 75 7.145 0.076 1.489 1.00 0.00 C ATOM 0 H ALA A 75 9.141 -0.673 2.724 1.00 0.00 H new ATOM 0 HA ALA A 75 8.772 1.049 0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.378 0.628 0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.331 -0.874 0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.805 -0.111 2.508 1.00 0.00 H new ATOM 1003 N VAL A 76 8.056 2.276 3.478 1.00 0.00 N ATOM 1004 CA VAL A 76 7.810 3.515 4.203 1.00 0.00 C ATOM 1005 C VAL A 76 9.025 4.436 4.142 1.00 0.00 C ATOM 1006 O VAL A 76 8.890 5.644 3.951 1.00 0.00 O ATOM 1007 CB VAL A 76 7.458 3.245 5.677 1.00 0.00 C ATOM 1008 CG1 VAL A 76 7.041 4.531 6.374 1.00 0.00 C ATOM 1009 CG2 VAL A 76 6.362 2.195 5.779 1.00 0.00 C ATOM 0 H VAL A 76 8.128 1.448 4.070 1.00 0.00 H new ATOM 0 HA VAL A 76 6.962 4.001 3.720 1.00 0.00 H new ATOM 0 HB VAL A 76 8.347 2.861 6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.796 4.318 7.415 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.860 5.249 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.167 4.949 5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.126 2.016 6.828 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.470 2.548 5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.704 1.267 5.321 1.00 0.00 H new ATOM 1019 N ASN A 77 10.210 3.857 4.308 1.00 0.00 N ATOM 1020 CA ASN A 77 11.450 4.627 4.275 1.00 0.00 C ATOM 1021 C ASN A 77 11.576 5.412 2.974 1.00 0.00 C ATOM 1022 O ASN A 77 11.738 6.632 2.987 1.00 0.00 O ATOM 1023 CB ASN A 77 12.654 3.698 4.448 1.00 0.00 C ATOM 1024 CG ASN A 77 13.537 4.106 5.613 1.00 0.00 C ATOM 1025 OD1 ASN A 77 13.925 3.275 6.433 1.00 0.00 O ATOM 1026 ND2 ASN A 77 13.857 5.392 5.690 1.00 0.00 N ATOM 0 H ASN A 77 10.338 2.858 4.467 1.00 0.00 H new ATOM 0 HA ASN A 77 11.427 5.339 5.100 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.303 2.678 4.602 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.244 3.698 3.531 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.447 5.726 6.452 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.513 6.046 4.987 1.00 0.00 H new ATOM 1033 N VAL A 78 11.505 4.706 1.850 1.00 0.00 N ATOM 1034 CA VAL A 78 11.615 5.342 0.543 1.00 0.00 C ATOM 1035 C VAL A 78 10.530 6.397 0.351 1.00 0.00 C ATOM 1036 O VAL A 78 10.799 7.495 -0.135 1.00 0.00 O ATOM 1037 CB VAL A 78 11.525 4.308 -0.595 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.687 3.328 -0.514 1.00 0.00 C ATOM 1039 CG2 VAL A 78 10.196 3.571 -0.546 1.00 0.00 C ATOM 0 H VAL A 78 11.372 3.695 1.818 1.00 0.00 H new ATOM 0 HA VAL A 78 12.592 5.823 0.506 1.00 0.00 H new ATOM 0 HB VAL A 78 11.585 4.836 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.609 2.604 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.628 3.871 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.657 2.806 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.152 2.845 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.102 3.053 0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.380 4.285 -0.653 1.00 0.00 H new ATOM 1049 N LEU A 79 9.305 6.058 0.739 1.00 0.00 N ATOM 1050 CA LEU A 79 8.182 6.979 0.613 1.00 0.00 C ATOM 1051 C LEU A 79 8.370 8.189 1.525 1.00 0.00 C ATOM 1052 O LEU A 79 7.926 9.293 1.209 1.00 0.00 O ATOM 1053 CB LEU A 79 6.869 6.267 0.950 1.00 0.00 C ATOM 1054 CG LEU A 79 6.101 5.715 -0.254 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.527 6.850 -1.091 1.00 0.00 C ATOM 1056 CD2 LEU A 79 7.001 4.827 -1.098 1.00 0.00 C ATOM 0 H LEU A 79 9.065 5.153 1.143 1.00 0.00 H new ATOM 0 HA LEU A 79 8.141 7.327 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.085 5.444 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.223 6.963 1.485 1.00 0.00 H new ATOM 0 HG LEU A 79 5.272 5.111 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.985 6.437 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.846 7.444 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.338 7.483 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.439 4.443 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.852 5.407 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.359 3.993 -0.494 1.00 0.00 H new ATOM 1068 N LYS A 80 9.032 7.971 2.657 1.00 0.00 N ATOM 1069 CA LYS A 80 9.282 9.040 3.618 1.00 0.00 C ATOM 1070 C LYS A 80 10.505 9.862 3.217 1.00 0.00 C ATOM 1071 O LYS A 80 10.586 11.055 3.510 1.00 0.00 O ATOM 1072 CB LYS A 80 9.486 8.456 5.019 1.00 0.00 C ATOM 1073 CG LYS A 80 8.239 8.503 5.889 1.00 0.00 C ATOM 1074 CD LYS A 80 7.042 7.878 5.190 1.00 0.00 C ATOM 1075 CE LYS A 80 5.826 7.836 6.100 1.00 0.00 C ATOM 1076 NZ LYS A 80 5.625 9.123 6.822 1.00 0.00 N ATOM 0 H LYS A 80 9.405 7.062 2.932 1.00 0.00 H new ATOM 0 HA LYS A 80 8.412 9.697 3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.815 7.421 4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.287 9.002 5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.429 7.978 6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.012 9.538 6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.806 8.448 4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.293 6.867 4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.939 7.609 5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.942 7.029 6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.715 9.100 7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.396 9.261 7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.624 9.908 6.139 1.00 0.00 H new ATOM 1090 N SER A 81 11.453 9.214 2.550 1.00 0.00 N ATOM 1091 CA SER A 81 12.675 9.882 2.113 1.00 0.00 C ATOM 1092 C SER A 81 12.386 10.881 0.996 1.00 0.00 C ATOM 1093 O SER A 81 12.522 12.090 1.182 1.00 0.00 O ATOM 1094 CB SER A 81 13.701 8.853 1.637 1.00 0.00 C ATOM 1095 OG SER A 81 14.870 9.486 1.149 1.00 0.00 O ATOM 0 H SER A 81 11.400 8.227 2.300 1.00 0.00 H new ATOM 0 HA SER A 81 13.082 10.427 2.965 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.961 8.187 2.460 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.264 8.235 0.853 1.00 0.00 H new ATOM 0 HG SER A 81 15.511 8.806 0.853 1.00 0.00 H new ATOM 1101 N SER A 82 11.993 10.368 -0.164 1.00 0.00 N ATOM 1102 CA SER A 82 11.693 11.216 -1.313 1.00 0.00 C ATOM 1103 C SER A 82 10.325 11.876 -1.164 1.00 0.00 C ATOM 1104 O SER A 82 9.350 11.232 -0.776 1.00 0.00 O ATOM 1105 CB SER A 82 11.742 10.397 -2.604 1.00 0.00 C ATOM 1106 OG SER A 82 12.798 10.832 -3.444 1.00 0.00 O ATOM 0 H SER A 82 11.874 9.369 -0.334 1.00 0.00 H new ATOM 0 HA SER A 82 12.448 12.000 -1.360 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.875 9.342 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.793 10.487 -3.132 1.00 0.00 H new ATOM 0 HG SER A 82 12.809 10.292 -4.262 1.00 0.00 H new ATOM 1112 N ARG A 83 10.261 13.165 -1.482 1.00 0.00 N ATOM 1113 CA ARG A 83 9.013 13.916 -1.389 1.00 0.00 C ATOM 1114 C ARG A 83 8.176 13.726 -2.651 1.00 0.00 C ATOM 1115 O ARG A 83 6.995 13.388 -2.578 1.00 0.00 O ATOM 1116 CB ARG A 83 9.301 15.402 -1.172 1.00 0.00 C ATOM 1117 CG ARG A 83 9.345 15.806 0.293 1.00 0.00 C ATOM 1118 CD ARG A 83 10.720 16.320 0.693 1.00 0.00 C ATOM 1119 NE ARG A 83 10.884 17.740 0.392 1.00 0.00 N ATOM 1120 CZ ARG A 83 10.195 18.709 0.992 1.00 0.00 C ATOM 1121 NH1 ARG A 83 9.297 18.416 1.924 1.00 0.00 N ATOM 1122 NH2 ARG A 83 10.407 19.976 0.658 1.00 0.00 N ATOM 0 H ARG A 83 11.059 13.712 -1.806 1.00 0.00 H new ATOM 0 HA ARG A 83 8.449 13.537 -0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.255 15.650 -1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.536 15.990 -1.679 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.599 16.578 0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.081 14.950 0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.872 16.156 1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.487 15.748 0.170 1.00 0.00 H new ATOM 0 HE ARG A 83 11.566 18.005 -0.319 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.131 17.444 2.185 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.773 19.163 2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.097 20.206 -0.057 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.880 20.719 1.117 1.00 0.00 H new ATOM 1136 N SER A 84 8.799 13.944 -3.803 1.00 0.00 N ATOM 1137 CA SER A 84 8.117 13.794 -5.083 1.00 0.00 C ATOM 1138 C SER A 84 8.574 12.523 -5.792 1.00 0.00 C ATOM 1139 O SER A 84 9.455 12.564 -6.651 1.00 0.00 O ATOM 1140 CB SER A 84 8.381 15.011 -5.972 1.00 0.00 C ATOM 1141 OG SER A 84 9.734 15.056 -6.386 1.00 0.00 O ATOM 0 H SER A 84 9.777 14.226 -3.877 1.00 0.00 H new ATOM 0 HA SER A 84 7.046 13.720 -4.892 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.731 14.974 -6.846 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.133 15.923 -5.429 1.00 0.00 H new ATOM 0 HG SER A 84 9.955 14.234 -6.871 1.00 0.00 H new ATOM 1147 N LEU A 85 7.974 11.396 -5.423 1.00 0.00 N ATOM 1148 CA LEU A 85 8.327 10.112 -6.022 1.00 0.00 C ATOM 1149 C LEU A 85 7.149 9.520 -6.791 1.00 0.00 C ATOM 1150 O LEU A 85 6.004 9.586 -6.343 1.00 0.00 O ATOM 1151 CB LEU A 85 8.793 9.121 -4.945 1.00 0.00 C ATOM 1152 CG LEU A 85 8.497 9.529 -3.499 1.00 0.00 C ATOM 1153 CD1 LEU A 85 7.002 9.470 -3.220 1.00 0.00 C ATOM 1154 CD2 LEU A 85 9.256 8.636 -2.529 1.00 0.00 C ATOM 0 H LEU A 85 7.243 11.345 -4.714 1.00 0.00 H new ATOM 0 HA LEU A 85 9.144 10.289 -6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.322 8.157 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.868 8.977 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 85 8.831 10.557 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.813 9.763 -2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.479 10.150 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.642 8.454 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.035 8.939 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.951 7.600 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.327 8.728 -2.711 1.00 0.00 H new ATOM 1166 N THR A 86 7.441 8.933 -7.946 1.00 0.00 N ATOM 1167 CA THR A 86 6.412 8.317 -8.774 1.00 0.00 C ATOM 1168 C THR A 86 6.244 6.849 -8.401 1.00 0.00 C ATOM 1169 O THR A 86 7.174 6.054 -8.542 1.00 0.00 O ATOM 1170 CB THR A 86 6.769 8.445 -10.254 1.00 0.00 C ATOM 1171 OG1 THR A 86 7.180 9.767 -10.560 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.623 8.097 -11.179 1.00 0.00 C ATOM 0 H THR A 86 8.384 8.871 -8.330 1.00 0.00 H new ATOM 0 HA THR A 86 5.470 8.836 -8.597 1.00 0.00 H new ATOM 0 HB THR A 86 7.577 7.732 -10.417 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.406 9.827 -11.512 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.944 8.209 -12.215 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.314 7.066 -11.004 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.784 8.765 -10.985 1.00 0.00 H new ATOM 1180 N ILE A 87 5.061 6.496 -7.914 1.00 0.00 N ATOM 1181 CA ILE A 87 4.783 5.124 -7.512 1.00 0.00 C ATOM 1182 C ILE A 87 3.766 4.462 -8.433 1.00 0.00 C ATOM 1183 O ILE A 87 2.691 5.006 -8.685 1.00 0.00 O ATOM 1184 CB ILE A 87 4.265 5.060 -6.060 1.00 0.00 C ATOM 1185 CG1 ILE A 87 3.033 5.955 -5.896 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.362 5.471 -5.087 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.505 6.005 -4.478 1.00 0.00 C ATOM 0 H ILE A 87 4.280 7.140 -7.788 1.00 0.00 H new ATOM 0 HA ILE A 87 5.727 4.583 -7.582 1.00 0.00 H new ATOM 0 HB ILE A 87 3.976 4.033 -5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.283 6.966 -6.218 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.243 5.597 -6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.981 5.421 -4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.212 4.796 -5.191 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.679 6.491 -5.306 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.633 6.657 -4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.223 5.002 -4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.279 6.392 -3.815 1.00 0.00 H new ATOM 1199 N SER A 88 4.112 3.276 -8.925 1.00 0.00 N ATOM 1200 CA SER A 88 3.232 2.528 -9.813 1.00 0.00 C ATOM 1201 C SER A 88 2.444 1.486 -9.028 1.00 0.00 C ATOM 1202 O SER A 88 3.002 0.488 -8.569 1.00 0.00 O ATOM 1203 CB SER A 88 4.040 1.850 -10.920 1.00 0.00 C ATOM 1204 OG SER A 88 5.289 2.493 -11.108 1.00 0.00 O ATOM 0 H SER A 88 4.998 2.813 -8.722 1.00 0.00 H new ATOM 0 HA SER A 88 2.531 3.227 -10.269 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.202 0.802 -10.667 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.474 1.869 -11.851 1.00 0.00 H new ATOM 0 HG SER A 88 5.710 2.157 -11.927 1.00 0.00 H new ATOM 1210 N ILE A 89 1.147 1.724 -8.873 1.00 0.00 N ATOM 1211 CA ILE A 89 0.283 0.808 -8.139 1.00 0.00 C ATOM 1212 C ILE A 89 -0.675 0.089 -9.081 1.00 0.00 C ATOM 1213 O ILE A 89 -1.108 0.650 -10.083 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.525 1.557 -7.058 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.486 0.601 -6.335 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.274 2.731 -7.674 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -2.885 0.559 -6.919 1.00 0.00 C ATOM 0 H ILE A 89 0.670 2.545 -9.246 1.00 0.00 H new ATOM 0 HA ILE A 89 0.925 0.072 -7.655 1.00 0.00 H new ATOM 0 HB ILE A 89 0.170 1.951 -6.316 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.065 -0.404 -6.359 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.551 0.895 -5.287 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.839 3.249 -6.899 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.561 3.421 -8.126 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.959 2.365 -8.439 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.496 -0.140 -6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.330 1.553 -6.870 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.836 0.234 -7.958 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.003 -1.154 -8.751 1.00 0.00 N ATOM 1230 CA VAL A 90 -1.915 -1.942 -9.571 1.00 0.00 C ATOM 1231 C VAL A 90 -3.177 -2.298 -8.795 1.00 0.00 C ATOM 1232 O VAL A 90 -3.133 -3.061 -7.831 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.247 -3.233 -10.074 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -2.095 -3.890 -11.153 1.00 0.00 C ATOM 1235 CG2 VAL A 90 0.156 -2.946 -10.589 1.00 0.00 C ATOM 0 H VAL A 90 -0.652 -1.637 -7.924 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.182 -1.327 -10.431 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.166 -3.926 -9.236 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.605 -4.802 -11.496 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.076 -4.136 -10.746 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.212 -3.204 -11.992 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.611 -3.872 -10.940 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.103 -2.233 -11.412 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.760 -2.527 -9.784 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.300 -1.732 -9.221 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.582 -1.976 -8.571 1.00 0.00 C ATOM 1247 C ALA A 91 -5.910 -3.464 -8.532 1.00 0.00 C ATOM 1248 O ALA A 91 -5.607 -4.202 -9.470 1.00 0.00 O ATOM 1249 CB ALA A 91 -6.687 -1.211 -9.282 1.00 0.00 C ATOM 0 H ALA A 91 -4.348 -1.098 -10.018 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.509 -1.622 -7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.639 -1.402 -8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.469 -0.143 -9.250 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.746 -1.538 -10.320 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.532 -3.895 -7.434 1.00 0.00 N ATOM 1256 CA ALA A 92 -6.915 -5.296 -7.248 1.00 0.00 C ATOM 1257 C ALA A 92 -5.749 -6.139 -6.733 1.00 0.00 C ATOM 1258 O ALA A 92 -5.956 -7.222 -6.182 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.465 -5.882 -8.539 1.00 0.00 C ATOM 0 H ALA A 92 -6.783 -3.288 -6.653 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.700 -5.319 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.743 -6.923 -8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.343 -5.316 -8.850 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.704 -5.827 -9.317 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.526 -5.644 -6.905 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.342 -6.358 -6.448 1.00 0.00 C ATOM 1267 C ALA A 93 -3.402 -6.613 -4.942 1.00 0.00 C ATOM 1268 O ALA A 93 -2.721 -7.498 -4.423 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.091 -5.571 -6.807 1.00 0.00 C ATOM 0 H ALA A 93 -4.331 -4.751 -7.358 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.308 -7.326 -6.949 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.210 -6.111 -6.462 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.039 -5.444 -7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.127 -4.592 -6.328 1.00 0.00 H new ATOM 1275 N GLY A 94 -4.222 -5.826 -4.249 1.00 0.00 N ATOM 1276 CA GLY A 94 -4.364 -5.968 -2.812 1.00 0.00 C ATOM 1277 C GLY A 94 -5.763 -6.390 -2.405 1.00 0.00 C ATOM 1278 O GLY A 94 -5.949 -7.064 -1.392 1.00 0.00 O ATOM 0 H GLY A 94 -4.793 -5.089 -4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.646 -6.704 -2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.119 -5.021 -2.331 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.752 -5.974 -3.192 1.00 0.00 N ATOM 1283 CA ARG A 95 -8.149 -6.289 -2.910 1.00 0.00 C ATOM 1284 C ARG A 95 -8.370 -7.795 -2.806 1.00 0.00 C ATOM 1285 O ARG A 95 -9.196 -8.252 -2.018 1.00 0.00 O ATOM 1286 CB ARG A 95 -9.052 -5.714 -4.004 1.00 0.00 C ATOM 1287 CG ARG A 95 -9.048 -4.195 -4.061 1.00 0.00 C ATOM 1288 CD ARG A 95 -9.992 -3.675 -5.134 1.00 0.00 C ATOM 1289 NE ARG A 95 -10.506 -2.347 -4.815 1.00 0.00 N ATOM 1290 CZ ARG A 95 -11.533 -1.779 -5.440 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -12.161 -2.420 -6.420 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -11.937 -0.567 -5.086 1.00 0.00 N ATOM 0 H ARG A 95 -6.610 -5.415 -4.034 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.403 -5.837 -1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.733 -6.106 -4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.072 -6.060 -3.840 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.341 -3.793 -3.091 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.037 -3.840 -4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.470 -3.641 -6.090 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.825 -4.368 -5.250 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.050 -1.823 -4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.856 -3.353 -6.697 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.948 -1.979 -6.896 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.460 -0.070 -4.334 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.725 -0.132 -5.566 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.631 -8.564 -3.598 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.759 -10.019 -3.580 1.00 0.00 C ATOM 1308 C GLU A 96 -7.728 -10.552 -2.151 1.00 0.00 C ATOM 1309 O GLU A 96 -8.591 -11.333 -1.749 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.643 -10.661 -4.405 1.00 0.00 C ATOM 1311 CG GLU A 96 -6.896 -12.122 -4.738 1.00 0.00 C ATOM 1312 CD GLU A 96 -6.302 -13.068 -3.711 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -5.085 -12.963 -3.444 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -7.051 -13.911 -3.176 1.00 0.00 O ATOM 0 H GLU A 96 -6.940 -8.208 -4.258 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.721 -10.279 -4.022 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.520 -10.102 -5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.704 -10.579 -3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.970 -12.294 -4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.475 -12.345 -5.718 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.732 -10.119 -1.386 1.00 0.00 N ATOM 1322 CA LEU A 97 -6.592 -10.544 0.003 1.00 0.00 C ATOM 1323 C LEU A 97 -7.676 -9.917 0.872 1.00 0.00 C ATOM 1324 O LEU A 97 -8.270 -10.583 1.721 1.00 0.00 O ATOM 1325 CB LEU A 97 -5.211 -10.166 0.540 1.00 0.00 C ATOM 1326 CG LEU A 97 -4.039 -10.522 -0.376 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -2.821 -9.681 -0.033 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -3.713 -12.005 -0.268 1.00 0.00 C ATOM 0 H LEU A 97 -6.009 -9.474 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.702 -11.628 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.192 -9.092 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.064 -10.660 1.501 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.326 -10.306 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.997 -9.948 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.061 -8.625 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.531 -9.866 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.877 -12.243 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.445 -12.245 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.584 -12.591 -0.562 1.00 0.00 H new ATOM 1340 N PHE A 98 -7.928 -8.630 0.656 1.00 0.00 N ATOM 1341 CA PHE A 98 -8.938 -7.904 1.419 1.00 0.00 C ATOM 1342 C PHE A 98 -10.312 -8.547 1.263 1.00 0.00 C ATOM 1343 O PHE A 98 -10.874 -9.075 2.223 1.00 0.00 O ATOM 1344 CB PHE A 98 -8.990 -6.442 0.972 1.00 0.00 C ATOM 1345 CG PHE A 98 -8.148 -5.528 1.815 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -8.507 -5.242 3.122 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -6.997 -4.953 1.300 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -7.735 -4.401 3.900 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -6.220 -4.110 2.074 1.00 0.00 C ATOM 1350 CZ PHE A 98 -6.591 -3.834 3.376 1.00 0.00 C ATOM 0 H PHE A 98 -7.445 -8.066 -0.044 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.659 -7.946 2.472 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -8.659 -6.375 -0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -10.024 -6.098 0.999 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -9.401 -5.682 3.538 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.703 -5.166 0.283 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -8.027 -4.187 4.918 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -5.325 -3.668 1.661 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.987 -3.176 3.983 1.00 0.00 H new ATOM 1360 N MET A 99 -10.851 -8.495 0.049 1.00 0.00 N ATOM 1361 CA MET A 99 -12.162 -9.069 -0.231 1.00 0.00 C ATOM 1362 C MET A 99 -12.173 -10.567 0.053 1.00 0.00 C ATOM 1363 O MET A 99 -11.194 -11.267 -0.204 1.00 0.00 O ATOM 1364 CB MET A 99 -12.557 -8.812 -1.686 1.00 0.00 C ATOM 1365 CG MET A 99 -11.595 -9.421 -2.695 1.00 0.00 C ATOM 1366 SD MET A 99 -12.431 -10.422 -3.941 1.00 0.00 S ATOM 1367 CE MET A 99 -13.082 -11.748 -2.929 1.00 0.00 C ATOM 0 H MET A 99 -10.400 -8.061 -0.756 1.00 0.00 H new ATOM 0 HA MET A 99 -12.887 -8.587 0.425 1.00 0.00 H new ATOM 0 HB2 MET A 99 -13.555 -9.215 -1.859 1.00 0.00 H new ATOM 0 HB3 MET A 99 -12.614 -7.736 -1.854 1.00 0.00 H new ATOM 0 HG2 MET A 99 -11.040 -8.623 -3.189 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.866 -10.038 -2.169 1.00 0.00 H new ATOM 0 HE1 MET A 99 -13.487 -12.530 -3.571 1.00 0.00 H new ATOM 0 HE2 MET A 99 -12.283 -12.161 -2.313 1.00 0.00 H new ATOM 0 HE3 MET A 99 -13.872 -11.361 -2.286 1.00 0.00 H new ATOM 1377 N THR A 100 -13.291 -11.053 0.585 1.00 0.00 N ATOM 1378 CA THR A 100 -13.435 -12.468 0.904 1.00 0.00 C ATOM 1379 C THR A 100 -14.581 -13.089 0.112 1.00 0.00 C ATOM 1380 O THR A 100 -15.551 -12.413 -0.227 1.00 0.00 O ATOM 1381 CB THR A 100 -13.678 -12.651 2.404 1.00 0.00 C ATOM 1382 OG1 THR A 100 -12.928 -11.710 3.151 1.00 0.00 O ATOM 1383 CG2 THR A 100 -13.314 -14.032 2.906 1.00 0.00 C ATOM 0 H THR A 100 -14.110 -10.486 0.804 1.00 0.00 H new ATOM 0 HA THR A 100 -12.510 -12.974 0.628 1.00 0.00 H new ATOM 0 HB THR A 100 -14.749 -12.503 2.544 1.00 0.00 H new ATOM 0 HG1 THR A 100 -13.098 -11.841 4.107 1.00 0.00 H new ATOM 0 HG21 THR A 100 -13.511 -14.094 3.976 1.00 0.00 H new ATOM 0 HG22 THR A 100 -13.912 -14.778 2.384 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.257 -14.220 2.720 1.00 0.00 H new TER 1391 THR A 100 ATOM 1392 N THR B 111 -2.692 -13.265 13.717 1.00 0.00 N ATOM 1393 CA THR B 111 -2.455 -11.954 14.309 1.00 0.00 C ATOM 1394 C THR B 111 -2.571 -10.854 13.257 1.00 0.00 C ATOM 1395 O THR B 111 -2.414 -11.107 12.063 1.00 0.00 O ATOM 1396 CB THR B 111 -1.072 -11.906 14.962 1.00 0.00 C ATOM 1397 OG1 THR B 111 -0.074 -12.359 14.062 1.00 0.00 O ATOM 1398 CG2 THR B 111 -0.975 -12.744 16.219 1.00 0.00 C ATOM 0 HA THR B 111 -3.215 -11.786 15.072 1.00 0.00 H new ATOM 0 HB THR B 111 -0.915 -10.861 15.229 1.00 0.00 H new ATOM 0 HG1 THR B 111 -0.479 -12.954 13.397 1.00 0.00 H new ATOM 0 HG21 THR B 111 0.031 -12.666 16.632 1.00 0.00 H new ATOM 0 HG22 THR B 111 -1.697 -12.385 16.952 1.00 0.00 H new ATOM 0 HG23 THR B 111 -1.189 -13.786 15.979 1.00 0.00 H new ATOM 1406 N PRO B 112 -2.848 -9.610 13.689 1.00 0.00 N ATOM 1407 CA PRO B 112 -2.983 -8.468 12.778 1.00 0.00 C ATOM 1408 C PRO B 112 -1.716 -8.223 11.966 1.00 0.00 C ATOM 1409 O PRO B 112 -0.631 -8.667 12.342 1.00 0.00 O ATOM 1410 CB PRO B 112 -3.259 -7.281 13.712 1.00 0.00 C ATOM 1411 CG PRO B 112 -2.816 -7.736 15.061 1.00 0.00 C ATOM 1412 CD PRO B 112 -3.049 -9.218 15.093 1.00 0.00 C ATOM 0 HA PRO B 112 -3.769 -8.632 12.041 1.00 0.00 H new ATOM 0 HB2 PRO B 112 -2.710 -6.394 13.395 1.00 0.00 H new ATOM 0 HB3 PRO B 112 -4.317 -7.018 13.713 1.00 0.00 H new ATOM 0 HG2 PRO B 112 -1.764 -7.502 15.226 1.00 0.00 H new ATOM 0 HG3 PRO B 112 -3.381 -7.235 15.847 1.00 0.00 H new ATOM 0 HD2 PRO B 112 -2.349 -9.723 15.758 1.00 0.00 H new ATOM 0 HD3 PRO B 112 -4.052 -9.462 15.441 1.00 0.00 H new ATOM 1420 N LEU B 113 -1.862 -7.517 10.850 1.00 0.00 N ATOM 1421 CA LEU B 113 -0.730 -7.214 9.982 1.00 0.00 C ATOM 1422 C LEU B 113 -0.110 -5.867 10.343 1.00 0.00 C ATOM 1423 O LEU B 113 -0.702 -5.077 11.079 1.00 0.00 O ATOM 1424 CB LEU B 113 -1.171 -7.209 8.517 1.00 0.00 C ATOM 1425 CG LEU B 113 -2.085 -8.365 8.111 1.00 0.00 C ATOM 1426 CD1 LEU B 113 -3.174 -7.882 7.164 1.00 0.00 C ATOM 1427 CD2 LEU B 113 -1.277 -9.482 7.468 1.00 0.00 C ATOM 0 H LEU B 113 -2.754 -7.144 10.525 1.00 0.00 H new ATOM 0 HA LEU B 113 0.023 -7.989 10.126 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -1.685 -6.270 8.312 1.00 0.00 H new ATOM 0 HB3 LEU B 113 -0.282 -7.230 7.886 1.00 0.00 H new ATOM 0 HG LEU B 113 -2.562 -8.756 9.010 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -3.814 -8.720 6.887 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -3.773 -7.117 7.658 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -2.717 -7.463 6.268 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -1.943 -10.297 7.185 1.00 0.00 H new ATOM 0 HD22 LEU B 113 -0.772 -9.101 6.580 1.00 0.00 H new ATOM 0 HD23 LEU B 113 -0.535 -9.849 8.177 1.00 0.00 H new ATOM 1439 N GLU B 114 1.083 -5.610 9.816 1.00 0.00 N ATOM 1440 CA GLU B 114 1.782 -4.358 10.079 1.00 0.00 C ATOM 1441 C GLU B 114 1.213 -3.231 9.226 1.00 0.00 C ATOM 1442 O GLU B 114 0.916 -3.422 8.045 1.00 0.00 O ATOM 1443 CB GLU B 114 3.279 -4.518 9.806 1.00 0.00 C ATOM 1444 CG GLU B 114 3.903 -5.709 10.513 1.00 0.00 C ATOM 1445 CD GLU B 114 5.285 -6.042 9.985 1.00 0.00 C ATOM 1446 OE1 GLU B 114 6.238 -5.306 10.311 1.00 0.00 O ATOM 1447 OE2 GLU B 114 5.412 -7.041 9.245 1.00 0.00 O ATOM 0 H GLU B 114 1.586 -6.253 9.204 1.00 0.00 H new ATOM 0 HA GLU B 114 1.639 -4.102 11.129 1.00 0.00 H new ATOM 0 HB2 GLU B 114 3.435 -4.621 8.732 1.00 0.00 H new ATOM 0 HB3 GLU B 114 3.796 -3.610 10.117 1.00 0.00 H new ATOM 0 HG2 GLU B 114 3.967 -5.500 11.581 1.00 0.00 H new ATOM 0 HG3 GLU B 114 3.254 -6.577 10.396 1.00 0.00 H new ATOM 1454 N ILE B 115 1.062 -2.055 9.826 1.00 0.00 N ATOM 1455 CA ILE B 115 0.525 -0.899 9.118 1.00 0.00 C ATOM 1456 C ILE B 115 1.304 0.367 9.459 1.00 0.00 C ATOM 1457 O ILE B 115 1.621 0.619 10.622 1.00 0.00 O ATOM 1458 CB ILE B 115 -0.963 -0.677 9.448 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -1.732 -1.996 9.355 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -1.563 0.361 8.511 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -3.207 -1.861 9.668 1.00 0.00 C ATOM 0 H ILE B 115 1.304 -1.877 10.801 1.00 0.00 H new ATOM 0 HA ILE B 115 0.625 -1.108 8.053 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.042 -0.305 10.470 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -1.618 -2.403 8.350 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -1.288 -2.715 10.043 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -2.615 0.508 8.756 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.029 1.305 8.624 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -1.475 0.015 7.481 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -3.688 -2.835 9.582 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -3.330 -1.484 10.683 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -3.666 -1.167 8.964 1.00 0.00 H new ATOM 1473 N THR B 116 1.606 1.161 8.438 1.00 0.00 N ATOM 1474 CA THR B 116 2.345 2.405 8.628 1.00 0.00 C ATOM 1475 C THR B 116 1.640 3.566 7.934 1.00 0.00 C ATOM 1476 O THR B 116 1.234 3.456 6.777 1.00 0.00 O ATOM 1477 CB THR B 116 3.770 2.265 8.091 1.00 0.00 C ATOM 1478 OG1 THR B 116 4.410 1.135 8.659 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.636 3.473 8.368 1.00 0.00 C ATOM 0 H THR B 116 1.351 0.966 7.470 1.00 0.00 H new ATOM 0 HA THR B 116 2.387 2.614 9.697 1.00 0.00 H new ATOM 0 HB THR B 116 3.663 2.157 7.012 1.00 0.00 H new ATOM 0 HG1 THR B 116 4.016 0.317 8.291 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.633 3.307 7.960 1.00 0.00 H new ATOM 0 HG22 THR B 116 4.194 4.352 7.899 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.706 3.632 9.444 1.00 0.00 H new ATOM 1487 N GLU B 117 1.494 4.677 8.649 1.00 0.00 N ATOM 1488 CA GLU B 117 0.834 5.858 8.101 1.00 0.00 C ATOM 1489 C GLU B 117 1.834 6.754 7.377 1.00 0.00 C ATOM 1490 O GLU B 117 2.980 6.892 7.803 1.00 0.00 O ATOM 1491 CB GLU B 117 0.141 6.642 9.215 1.00 0.00 C ATOM 1492 CG GLU B 117 -1.186 6.041 9.648 1.00 0.00 C ATOM 1493 CD GLU B 117 -2.378 6.810 9.110 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -2.368 7.158 7.911 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -3.321 7.066 9.890 1.00 0.00 O ATOM 0 H GLU B 117 1.823 4.785 9.608 1.00 0.00 H new ATOM 0 HA GLU B 117 0.086 5.525 7.381 1.00 0.00 H new ATOM 0 HB2 GLU B 117 0.805 6.695 10.078 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -0.026 7.665 8.878 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -1.241 5.007 9.307 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -1.233 6.020 10.737 1.00 0.00 H new ATOM 1502 N LEU B 118 1.389 7.362 6.282 1.00 0.00 N ATOM 1503 CA LEU B 118 2.242 8.248 5.498 1.00 0.00 C ATOM 1504 C LEU B 118 1.597 9.619 5.332 1.00 0.00 C ATOM 1505 O LEU B 118 2.343 10.614 5.210 1.00 0.00 O ATOM 1506 CB LEU B 118 2.526 7.635 4.126 1.00 0.00 C ATOM 1507 CG LEU B 118 3.165 6.244 4.158 1.00 0.00 C ATOM 1508 CD1 LEU B 118 2.114 5.168 3.934 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.268 6.137 3.115 1.00 0.00 C ATOM 1510 OXT LEU B 118 0.349 9.688 5.322 1.00 0.00 O ATOM 0 H LEU B 118 0.442 7.257 5.917 1.00 0.00 H new ATOM 0 HA LEU B 118 3.183 8.373 6.034 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.590 7.576 3.571 1.00 0.00 H new ATOM 0 HB3 LEU B 118 3.182 8.307 3.573 1.00 0.00 H new ATOM 0 HG LEU B 118 3.608 6.093 5.143 1.00 0.00 H new ATOM 0 HD11 LEU B 118 2.587 4.186 3.960 1.00 0.00 H new ATOM 0 HD12 LEU B 118 1.359 5.228 4.718 1.00 0.00 H new ATOM 0 HD13 LEU B 118 1.642 5.317 2.963 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.710 5.141 3.153 1.00 0.00 H new ATOM 0 HD22 LEU B 118 3.849 6.310 2.124 1.00 0.00 H new ATOM 0 HD23 LEU B 118 5.036 6.883 3.320 1.00 0.00 H new TER 1522 LEU B 118