USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 748 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: B 8 ASN : amide:sc= -1.55 K(o=-2.3,f=-1.4) USER MOD Set 1.2: B 28 MET CE :methyl 174:sc= -0.791 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.27 K(o=-1.3,f=0.75) USER MOD Single : A 9 ASN : amide:sc= -6.53! K(o=-6.5!,f=-0.74) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -4.67! K(o=-4.7!,f=-1) USER MOD Single : A 20 SER OG : rot 180:sc= -0.238 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -130:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -2.66! C(o=-2.7!,f=-3!) USER MOD Single : A 44 SER OG : rot 93:sc= 1.22 USER MOD Single : B 5 LYS NZ :NH3+ 166:sc= -0.0368 (180deg=-0.261) USER MOD Single : B 9 ASN : amide:sc= -3.86! K(o=-3.9!,f=-0.23) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -4.78! K(o=-4.8!,f=-0.89) USER MOD Single : B 20 SER OG : rot -14:sc= 0.953 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -170:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0987) USER MOD Single : B 37 ASN : amide:sc= -4.68! C(o=-4.7!,f=-4!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 2 5.235 3.945 2.163 1.00 0.00 N ATOM 13 CA GLU A 2 5.112 2.869 3.135 1.00 0.00 C ATOM 14 C GLU A 2 4.653 1.571 2.475 1.00 0.00 C ATOM 15 O GLU A 2 4.985 0.486 2.942 1.00 0.00 O ATOM 16 CB GLU A 2 4.149 3.259 4.262 1.00 0.00 C ATOM 17 CG GLU A 2 2.693 3.389 3.834 1.00 0.00 C ATOM 18 CD GLU A 2 2.456 4.501 2.829 1.00 0.00 C ATOM 19 OE1 GLU A 2 2.821 4.327 1.648 1.00 0.00 O ATOM 20 OE2 GLU A 2 1.906 5.548 3.225 1.00 0.00 O ATOM 0 HA GLU A 2 6.101 2.701 3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.216 2.513 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.475 4.208 4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.363 2.444 3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.078 3.569 4.716 1.00 0.00 H new ATOM 27 N ALA A 3 3.898 1.687 1.386 1.00 0.00 N ATOM 28 CA ALA A 3 3.412 0.513 0.664 1.00 0.00 C ATOM 29 C ALA A 3 4.538 -0.088 -0.156 1.00 0.00 C ATOM 30 O ALA A 3 4.510 -1.255 -0.537 1.00 0.00 O ATOM 31 CB ALA A 3 2.232 0.877 -0.226 1.00 0.00 C ATOM 0 H ALA A 3 3.610 2.579 0.984 1.00 0.00 H new ATOM 0 HA ALA A 3 3.069 -0.227 1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.887 -0.012 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.422 1.273 0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.541 1.631 -0.950 1.00 0.00 H new ATOM 37 N LEU A 4 5.526 0.740 -0.413 1.00 0.00 N ATOM 38 CA LEU A 4 6.692 0.352 -1.169 1.00 0.00 C ATOM 39 C LEU A 4 7.721 -0.290 -0.250 1.00 0.00 C ATOM 40 O LEU A 4 8.318 -1.312 -0.573 1.00 0.00 O ATOM 41 CB LEU A 4 7.269 1.597 -1.842 1.00 0.00 C ATOM 42 CG LEU A 4 6.318 2.296 -2.819 1.00 0.00 C ATOM 43 CD1 LEU A 4 5.738 1.284 -3.785 1.00 0.00 C ATOM 44 CD2 LEU A 4 5.204 3.023 -2.073 1.00 0.00 C ATOM 0 H LEU A 4 5.541 1.710 -0.099 1.00 0.00 H new ATOM 0 HA LEU A 4 6.420 -0.380 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.562 2.308 -1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.176 1.317 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 4 6.884 3.040 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.063 1.787 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.545 0.811 -4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.188 0.524 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.544 3.510 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.633 2.306 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.638 3.773 -1.412 1.00 0.00 H new ATOM 56 N LYS A 5 7.912 0.337 0.898 1.00 0.00 N ATOM 57 CA LYS A 5 8.866 -0.137 1.895 1.00 0.00 C ATOM 58 C LYS A 5 8.262 -1.228 2.776 1.00 0.00 C ATOM 59 O LYS A 5 8.993 -1.995 3.404 1.00 0.00 O ATOM 60 CB LYS A 5 9.370 1.028 2.754 1.00 0.00 C ATOM 61 CG LYS A 5 8.301 1.667 3.623 1.00 0.00 C ATOM 62 CD LYS A 5 8.002 0.831 4.859 1.00 0.00 C ATOM 63 CE LYS A 5 6.965 1.495 5.748 1.00 0.00 C ATOM 64 NZ LYS A 5 6.698 0.700 6.978 1.00 0.00 N ATOM 0 H LYS A 5 7.414 1.186 1.168 1.00 0.00 H new ATOM 0 HA LYS A 5 9.712 -0.572 1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.177 0.671 3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.795 1.790 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.627 2.662 3.927 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.388 1.795 3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.645 -0.153 4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.921 0.676 5.425 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.310 2.491 6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.037 1.624 5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.985 1.187 7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.345 -0.242 6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.578 0.599 7.524 1.00 0.00 H new ATOM 78 N ILE A 6 6.930 -1.302 2.819 1.00 0.00 N ATOM 79 CA ILE A 6 6.259 -2.312 3.623 1.00 0.00 C ATOM 80 C ILE A 6 6.807 -3.659 3.223 1.00 0.00 C ATOM 81 O ILE A 6 7.400 -4.382 4.024 1.00 0.00 O ATOM 82 CB ILE A 6 4.719 -2.284 3.407 1.00 0.00 C ATOM 83 CG1 ILE A 6 4.016 -3.377 4.216 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.372 -2.428 1.938 1.00 0.00 C ATOM 85 CD1 ILE A 6 4.293 -4.795 3.755 1.00 0.00 C ATOM 0 H ILE A 6 6.304 -0.678 2.310 1.00 0.00 H new ATOM 0 HA ILE A 6 6.442 -2.112 4.679 1.00 0.00 H new ATOM 0 HB ILE A 6 4.365 -1.315 3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.316 -3.285 5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.941 -3.202 4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.289 -2.405 1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.818 -1.607 1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.759 -3.376 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.751 -5.496 4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.965 -4.912 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.362 -4.997 3.822 1.00 0.00 H new ATOM 97 N LEU A 7 6.631 -3.957 1.954 1.00 0.00 N ATOM 98 CA LEU A 7 7.124 -5.173 1.379 1.00 0.00 C ATOM 99 C LEU A 7 8.566 -4.930 0.978 1.00 0.00 C ATOM 100 O LEU A 7 9.307 -5.848 0.630 1.00 0.00 O ATOM 101 CB LEU A 7 6.253 -5.557 0.178 1.00 0.00 C ATOM 102 CG LEU A 7 6.840 -5.256 -1.204 1.00 0.00 C ATOM 103 CD1 LEU A 7 7.727 -6.399 -1.674 1.00 0.00 C ATOM 104 CD2 LEU A 7 5.729 -4.998 -2.201 1.00 0.00 C ATOM 0 H LEU A 7 6.138 -3.354 1.295 1.00 0.00 H new ATOM 0 HA LEU A 7 7.082 -6.002 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.041 -6.625 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.299 -5.037 0.266 1.00 0.00 H new ATOM 0 HG LEU A 7 7.455 -4.359 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.133 -6.164 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.545 -6.539 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.139 -7.315 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.160 -4.785 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.090 -5.878 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.136 -4.144 -1.872 1.00 0.00 H new ATOM 116 N ASN A 8 8.943 -3.650 1.045 1.00 0.00 N ATOM 117 CA ASN A 8 10.295 -3.219 0.699 1.00 0.00 C ATOM 118 C ASN A 8 10.589 -3.508 -0.774 1.00 0.00 C ATOM 119 O ASN A 8 11.706 -3.878 -1.137 1.00 0.00 O ATOM 120 CB ASN A 8 11.321 -3.919 1.598 1.00 0.00 C ATOM 121 CG ASN A 8 12.680 -3.245 1.578 1.00 0.00 C ATOM 122 OD1 ASN A 8 13.328 -3.148 0.537 1.00 0.00 O ATOM 123 ND2 ASN A 8 13.120 -2.773 2.738 1.00 0.00 N ATOM 0 H ASN A 8 8.325 -2.893 1.338 1.00 0.00 H new ATOM 0 HA ASN A 8 10.369 -2.143 0.859 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.946 -3.939 2.621 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.430 -4.955 1.278 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.027 -2.309 2.789 1.00 0.00 H new ATOM 0 HD22 ASN A 8 12.551 -2.874 3.579 1.00 0.00 H new ATOM 130 N ASN A 9 9.572 -3.327 -1.618 1.00 0.00 N ATOM 131 CA ASN A 9 9.693 -3.553 -3.054 1.00 0.00 C ATOM 132 C ASN A 9 10.075 -5.001 -3.360 1.00 0.00 C ATOM 133 O ASN A 9 11.073 -5.512 -2.856 1.00 0.00 O ATOM 134 CB ASN A 9 10.728 -2.600 -3.659 1.00 0.00 C ATOM 135 CG ASN A 9 10.347 -1.132 -3.529 1.00 0.00 C ATOM 136 OD1 ASN A 9 11.092 -0.253 -3.961 1.00 0.00 O ATOM 137 ND2 ASN A 9 9.188 -0.849 -2.936 1.00 0.00 N ATOM 0 H ASN A 9 8.645 -3.020 -1.324 1.00 0.00 H new ATOM 0 HA ASN A 9 8.720 -3.356 -3.503 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.689 -2.763 -3.172 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.860 -2.841 -4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.894 0.122 -2.829 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.595 -1.603 -2.590 1.00 0.00 H new ATOM 144 N ILE A 10 9.273 -5.652 -4.197 1.00 0.00 N ATOM 145 CA ILE A 10 9.522 -7.039 -4.581 1.00 0.00 C ATOM 146 C ILE A 10 10.898 -7.193 -5.219 1.00 0.00 C ATOM 147 O ILE A 10 11.560 -8.213 -5.050 1.00 0.00 O ATOM 148 CB ILE A 10 8.449 -7.573 -5.552 1.00 0.00 C ATOM 149 CG1 ILE A 10 8.419 -6.758 -6.853 1.00 0.00 C ATOM 150 CG2 ILE A 10 7.081 -7.576 -4.881 1.00 0.00 C ATOM 151 CD1 ILE A 10 7.876 -5.353 -6.698 1.00 0.00 C ATOM 0 H ILE A 10 8.443 -5.241 -4.624 1.00 0.00 H new ATOM 0 HA ILE A 10 9.479 -7.626 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 10 8.709 -8.599 -5.813 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.430 -6.701 -7.255 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.813 -7.290 -7.587 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.334 -7.955 -5.579 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.110 -8.215 -3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.818 -6.560 -4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.890 -4.849 -7.664 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.852 -5.398 -6.327 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.494 -4.800 -5.991 1.00 0.00 H new ATOM 163 N ARG A 11 11.322 -6.171 -5.952 1.00 0.00 N ATOM 164 CA ARG A 11 12.621 -6.190 -6.618 1.00 0.00 C ATOM 165 C ARG A 11 13.755 -6.419 -5.617 1.00 0.00 C ATOM 166 O ARG A 11 14.577 -7.321 -5.786 1.00 0.00 O ATOM 167 CB ARG A 11 12.832 -4.876 -7.371 1.00 0.00 C ATOM 168 CG ARG A 11 12.635 -3.641 -6.503 1.00 0.00 C ATOM 169 CD ARG A 11 12.685 -2.364 -7.328 1.00 0.00 C ATOM 170 NE ARG A 11 13.947 -2.224 -8.047 1.00 0.00 N ATOM 171 CZ ARG A 11 14.230 -1.199 -8.845 1.00 0.00 C ATOM 172 NH1 ARG A 11 13.342 -0.228 -9.021 1.00 0.00 N ATOM 173 NH2 ARG A 11 15.398 -1.144 -9.468 1.00 0.00 N ATOM 0 H ARG A 11 10.785 -5.317 -6.101 1.00 0.00 H new ATOM 0 HA ARG A 11 12.633 -7.018 -7.326 1.00 0.00 H new ATOM 0 HB2 ARG A 11 13.840 -4.862 -7.786 1.00 0.00 H new ATOM 0 HB3 ARG A 11 12.140 -4.833 -8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.676 -3.706 -5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.407 -3.609 -5.734 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.860 -2.361 -8.040 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.544 -1.504 -6.673 1.00 0.00 H new ATOM 0 HE ARG A 11 14.651 -2.953 -7.931 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.441 -0.268 -8.544 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.560 0.558 -9.633 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.082 -1.889 -9.336 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.613 -0.357 -10.080 1.00 0.00 H new ATOM 187 N THR A 12 13.789 -5.600 -4.572 1.00 0.00 N ATOM 188 CA THR A 12 14.816 -5.715 -3.544 1.00 0.00 C ATOM 189 C THR A 12 14.566 -6.929 -2.653 1.00 0.00 C ATOM 190 O THR A 12 15.502 -7.612 -2.237 1.00 0.00 O ATOM 191 CB THR A 12 14.877 -4.450 -2.668 1.00 0.00 C ATOM 192 OG1 THR A 12 15.164 -3.305 -3.480 1.00 0.00 O ATOM 193 CG2 THR A 12 15.938 -4.588 -1.586 1.00 0.00 C ATOM 0 H THR A 12 13.117 -4.849 -4.415 1.00 0.00 H new ATOM 0 HA THR A 12 15.769 -5.836 -4.059 1.00 0.00 H new ATOM 0 HB THR A 12 13.907 -4.322 -2.188 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.199 -2.504 -2.916 1.00 0.00 H new ATOM 0 HG21 THR A 12 15.961 -3.681 -0.981 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.701 -5.442 -0.951 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.913 -4.740 -2.050 1.00 0.00 H new ATOM 201 N LEU A 13 13.295 -7.177 -2.357 1.00 0.00 N ATOM 202 CA LEU A 13 12.912 -8.296 -1.505 1.00 0.00 C ATOM 203 C LEU A 13 13.397 -9.619 -2.080 1.00 0.00 C ATOM 204 O LEU A 13 14.105 -10.362 -1.408 1.00 0.00 O ATOM 205 CB LEU A 13 11.391 -8.328 -1.318 1.00 0.00 C ATOM 206 CG LEU A 13 10.880 -9.323 -0.270 1.00 0.00 C ATOM 207 CD1 LEU A 13 9.392 -9.119 -0.033 1.00 0.00 C ATOM 208 CD2 LEU A 13 11.152 -10.757 -0.701 1.00 0.00 C ATOM 0 H LEU A 13 12.512 -6.617 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 13 13.387 -8.154 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.055 -7.329 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.929 -8.566 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 13 11.416 -9.140 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.041 -9.832 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.216 -8.104 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.850 -9.275 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.780 -11.443 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.646 -10.955 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.225 -10.902 -0.826 1.00 0.00 H new ATOM 220 N ARG A 14 13.006 -9.915 -3.320 1.00 0.00 N ATOM 221 CA ARG A 14 13.405 -11.162 -3.968 1.00 0.00 C ATOM 222 C ARG A 14 14.880 -11.439 -3.733 1.00 0.00 C ATOM 223 O ARG A 14 15.297 -12.590 -3.634 1.00 0.00 O ATOM 224 CB ARG A 14 13.124 -11.112 -5.470 1.00 0.00 C ATOM 225 CG ARG A 14 11.647 -11.069 -5.819 1.00 0.00 C ATOM 226 CD ARG A 14 11.434 -11.148 -7.321 1.00 0.00 C ATOM 227 NE ARG A 14 11.952 -12.395 -7.877 1.00 0.00 N ATOM 228 CZ ARG A 14 11.902 -12.703 -9.170 1.00 0.00 C ATOM 229 NH1 ARG A 14 11.367 -11.855 -10.037 1.00 0.00 N ATOM 230 NH2 ARG A 14 12.387 -13.862 -9.595 1.00 0.00 N ATOM 0 H ARG A 14 12.416 -9.311 -3.892 1.00 0.00 H new ATOM 0 HA ARG A 14 12.817 -11.968 -3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.613 -10.234 -5.892 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.574 -11.985 -5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.132 -11.897 -5.332 1.00 0.00 H new ATOM 0 HG3 ARG A 14 11.207 -10.149 -5.435 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.370 -11.066 -7.542 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.926 -10.303 -7.803 1.00 0.00 H new ATOM 0 HE ARG A 14 12.376 -13.068 -7.238 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.992 -10.963 -9.713 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.330 -12.094 -11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.798 -14.517 -8.930 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.349 -14.098 -10.587 1.00 0.00 H new ATOM 244 N ALA A 15 15.659 -10.372 -3.640 1.00 0.00 N ATOM 245 CA ALA A 15 17.092 -10.483 -3.409 1.00 0.00 C ATOM 246 C ALA A 15 17.389 -10.795 -1.950 1.00 0.00 C ATOM 247 O ALA A 15 18.190 -11.675 -1.642 1.00 0.00 O ATOM 248 CB ALA A 15 17.785 -9.198 -3.804 1.00 0.00 C ATOM 0 H ALA A 15 15.320 -9.413 -3.722 1.00 0.00 H new ATOM 0 HA ALA A 15 17.468 -11.302 -4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.856 -9.293 -3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.608 -8.999 -4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.391 -8.374 -3.209 1.00 0.00 H new ATOM 254 N GLN A 16 16.736 -10.064 -1.053 1.00 0.00 N ATOM 255 CA GLN A 16 16.933 -10.270 0.380 1.00 0.00 C ATOM 256 C GLN A 16 16.471 -11.664 0.758 1.00 0.00 C ATOM 257 O GLN A 16 17.066 -12.340 1.599 1.00 0.00 O ATOM 258 CB GLN A 16 16.135 -9.246 1.192 1.00 0.00 C ATOM 259 CG GLN A 16 16.219 -7.827 0.657 1.00 0.00 C ATOM 260 CD GLN A 16 15.298 -6.879 1.399 1.00 0.00 C ATOM 261 OE1 GLN A 16 15.557 -6.514 2.546 1.00 0.00 O ATOM 262 NE2 GLN A 16 14.200 -6.500 0.755 1.00 0.00 N ATOM 0 H GLN A 16 16.070 -9.328 -1.289 1.00 0.00 H new ATOM 0 HA GLN A 16 17.993 -10.149 0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 16 15.089 -9.552 1.215 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.493 -9.256 2.221 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.246 -7.470 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.963 -7.824 -0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.027 -6.828 -0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.530 -5.881 1.211 1.00 0.00 H new ATOM 271 N ALA A 17 15.394 -12.069 0.112 1.00 0.00 N ATOM 272 CA ALA A 17 14.786 -13.366 0.323 1.00 0.00 C ATOM 273 C ALA A 17 15.437 -14.411 -0.557 1.00 0.00 C ATOM 274 O ALA A 17 15.309 -15.605 -0.304 1.00 0.00 O ATOM 275 CB ALA A 17 13.297 -13.298 0.056 1.00 0.00 C ATOM 0 H ALA A 17 14.912 -11.498 -0.582 1.00 0.00 H new ATOM 0 HA ALA A 17 14.939 -13.654 1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.853 -14.280 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.839 -12.576 0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.126 -12.989 -0.975 1.00 0.00 H new ATOM 281 N ARG A 18 16.125 -13.953 -1.602 1.00 0.00 N ATOM 282 CA ARG A 18 16.798 -14.853 -2.527 1.00 0.00 C ATOM 283 C ARG A 18 17.493 -15.969 -1.760 1.00 0.00 C ATOM 284 O ARG A 18 17.608 -17.096 -2.241 1.00 0.00 O ATOM 285 CB ARG A 18 17.809 -14.072 -3.358 1.00 0.00 C ATOM 286 CG ARG A 18 18.528 -14.902 -4.400 1.00 0.00 C ATOM 287 CD ARG A 18 19.465 -14.036 -5.215 1.00 0.00 C ATOM 288 NE ARG A 18 20.171 -14.798 -6.242 1.00 0.00 N ATOM 289 CZ ARG A 18 21.049 -14.262 -7.085 1.00 0.00 C ATOM 290 NH1 ARG A 18 21.327 -12.968 -7.024 1.00 0.00 N ATOM 291 NH2 ARG A 18 21.650 -15.024 -7.990 1.00 0.00 N ATOM 0 H ARG A 18 16.229 -12.963 -1.826 1.00 0.00 H new ATOM 0 HA ARG A 18 16.060 -15.299 -3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 18 17.295 -13.249 -3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.547 -13.629 -2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.091 -15.699 -3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.802 -15.380 -5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.897 -13.234 -5.687 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.191 -13.565 -4.552 1.00 0.00 H new ATOM 0 HE ARG A 18 19.980 -15.797 -6.317 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.867 -12.380 -6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 18 22.001 -12.560 -7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.439 -16.021 -8.039 1.00 0.00 H new ATOM 0 HH22 ARG A 18 22.323 -14.613 -8.637 1.00 0.00 H new ATOM 305 N GLU A 19 17.938 -15.639 -0.553 1.00 0.00 N ATOM 306 CA GLU A 19 18.607 -16.608 0.308 1.00 0.00 C ATOM 307 C GLU A 19 17.664 -17.081 1.412 1.00 0.00 C ATOM 308 O GLU A 19 18.060 -17.201 2.572 1.00 0.00 O ATOM 309 CB GLU A 19 19.873 -15.998 0.913 1.00 0.00 C ATOM 310 CG GLU A 19 19.618 -14.727 1.709 1.00 0.00 C ATOM 311 CD GLU A 19 20.890 -14.139 2.288 1.00 0.00 C ATOM 312 OE1 GLU A 19 21.562 -14.835 3.077 1.00 0.00 O ATOM 313 OE2 GLU A 19 21.214 -12.980 1.950 1.00 0.00 O ATOM 0 H GLU A 19 17.848 -14.707 -0.148 1.00 0.00 H new ATOM 0 HA GLU A 19 18.891 -17.470 -0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 19 20.346 -16.734 1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 19 20.579 -15.779 0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 19 19.141 -13.988 1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.920 -14.943 2.518 1.00 0.00 H new ATOM 320 N SER A 20 16.411 -17.340 1.041 1.00 0.00 N ATOM 321 CA SER A 20 15.402 -17.790 1.996 1.00 0.00 C ATOM 322 C SER A 20 14.106 -18.182 1.287 1.00 0.00 C ATOM 323 O SER A 20 13.954 -17.978 0.082 1.00 0.00 O ATOM 324 CB SER A 20 15.120 -16.693 3.025 1.00 0.00 C ATOM 325 OG SER A 20 14.158 -17.116 3.974 1.00 0.00 O ATOM 0 H SER A 20 16.071 -17.245 0.084 1.00 0.00 H new ATOM 0 HA SER A 20 15.793 -18.670 2.506 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.044 -16.424 3.536 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.764 -15.797 2.517 1.00 0.00 H new ATOM 0 HG SER A 20 13.998 -16.397 4.620 1.00 0.00 H new ATOM 331 N THR A 21 13.176 -18.748 2.052 1.00 0.00 N ATOM 332 CA THR A 21 11.884 -19.180 1.527 1.00 0.00 C ATOM 333 C THR A 21 10.963 -17.985 1.280 1.00 0.00 C ATOM 334 O THR A 21 11.189 -16.901 1.819 1.00 0.00 O ATOM 335 CB THR A 21 11.196 -20.164 2.498 1.00 0.00 C ATOM 336 OG1 THR A 21 12.062 -21.272 2.763 1.00 0.00 O ATOM 337 CG2 THR A 21 9.880 -20.675 1.928 1.00 0.00 C ATOM 0 H THR A 21 13.296 -18.920 3.050 1.00 0.00 H new ATOM 0 HA THR A 21 12.071 -19.685 0.579 1.00 0.00 H new ATOM 0 HB THR A 21 10.985 -19.629 3.424 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.621 -21.892 3.381 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.421 -21.365 2.635 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.208 -19.834 1.753 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.067 -21.192 0.987 1.00 0.00 H new ATOM 345 N LEU A 22 9.923 -18.189 0.471 1.00 0.00 N ATOM 346 CA LEU A 22 8.975 -17.132 0.168 1.00 0.00 C ATOM 347 C LEU A 22 8.343 -16.604 1.447 1.00 0.00 C ATOM 348 O LEU A 22 7.707 -15.566 1.438 1.00 0.00 O ATOM 349 CB LEU A 22 7.889 -17.610 -0.805 1.00 0.00 C ATOM 350 CG LEU A 22 6.535 -17.945 -0.171 1.00 0.00 C ATOM 351 CD1 LEU A 22 5.464 -18.044 -1.245 1.00 0.00 C ATOM 352 CD2 LEU A 22 6.609 -19.230 0.638 1.00 0.00 C ATOM 0 H LEU A 22 9.721 -19.079 0.016 1.00 0.00 H new ATOM 0 HA LEU A 22 9.524 -16.324 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.736 -16.838 -1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.256 -18.495 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 22 6.270 -17.140 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.506 -18.282 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.386 -17.092 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.730 -18.829 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.633 -19.441 1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.901 -20.054 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.346 -19.118 1.433 1.00 0.00 H new ATOM 364 N GLU A 23 8.513 -17.332 2.546 1.00 0.00 N ATOM 365 CA GLU A 23 7.941 -16.927 3.828 1.00 0.00 C ATOM 366 C GLU A 23 8.065 -15.417 4.017 1.00 0.00 C ATOM 367 O GLU A 23 7.260 -14.802 4.719 1.00 0.00 O ATOM 368 CB GLU A 23 8.642 -17.656 4.975 1.00 0.00 C ATOM 369 CG GLU A 23 8.063 -17.339 6.345 1.00 0.00 C ATOM 370 CD GLU A 23 8.777 -18.071 7.464 1.00 0.00 C ATOM 371 OE1 GLU A 23 9.999 -17.866 7.623 1.00 0.00 O ATOM 372 OE2 GLU A 23 8.115 -18.850 8.181 1.00 0.00 O ATOM 0 H GLU A 23 9.041 -18.204 2.576 1.00 0.00 H new ATOM 0 HA GLU A 23 6.884 -17.194 3.832 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.579 -18.731 4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.700 -17.394 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.124 -16.265 6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.006 -17.605 6.359 1.00 0.00 H new ATOM 379 N THR A 24 9.058 -14.820 3.357 1.00 0.00 N ATOM 380 CA THR A 24 9.255 -13.381 3.422 1.00 0.00 C ATOM 381 C THR A 24 7.949 -12.669 3.101 1.00 0.00 C ATOM 382 O THR A 24 7.561 -11.727 3.790 1.00 0.00 O ATOM 383 CB THR A 24 10.345 -12.903 2.446 1.00 0.00 C ATOM 384 OG1 THR A 24 11.602 -13.503 2.781 1.00 0.00 O ATOM 385 CG2 THR A 24 10.473 -11.388 2.482 1.00 0.00 C ATOM 0 H THR A 24 9.734 -15.314 2.774 1.00 0.00 H new ATOM 0 HA THR A 24 9.580 -13.141 4.434 1.00 0.00 H new ATOM 0 HB THR A 24 10.059 -13.204 1.438 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.292 -12.809 2.833 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.249 -11.072 1.785 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.523 -10.936 2.197 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.739 -11.069 3.490 1.00 0.00 H new ATOM 393 N LEU A 25 7.255 -13.141 2.063 1.00 0.00 N ATOM 394 CA LEU A 25 5.979 -12.559 1.692 1.00 0.00 C ATOM 395 C LEU A 25 4.959 -12.817 2.791 1.00 0.00 C ATOM 396 O LEU A 25 4.220 -11.929 3.188 1.00 0.00 O ATOM 397 CB LEU A 25 5.475 -13.079 0.333 1.00 0.00 C ATOM 398 CG LEU A 25 5.644 -14.577 0.041 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.775 -15.429 0.952 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.306 -14.863 -1.410 1.00 0.00 C ATOM 0 H LEU A 25 7.558 -13.917 1.474 1.00 0.00 H new ATOM 0 HA LEU A 25 6.119 -11.484 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.415 -12.838 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.989 -12.523 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 25 6.685 -14.838 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.923 -16.483 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.051 -15.249 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.727 -15.167 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.428 -15.928 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.274 -14.573 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.973 -14.294 -2.058 1.00 0.00 H new ATOM 412 N GLU A 26 4.942 -14.027 3.319 1.00 0.00 N ATOM 413 CA GLU A 26 4.026 -14.341 4.396 1.00 0.00 C ATOM 414 C GLU A 26 4.230 -13.323 5.509 1.00 0.00 C ATOM 415 O GLU A 26 3.309 -13.003 6.258 1.00 0.00 O ATOM 416 CB GLU A 26 4.250 -15.779 4.882 1.00 0.00 C ATOM 417 CG GLU A 26 3.500 -16.150 6.157 1.00 0.00 C ATOM 418 CD GLU A 26 4.098 -15.527 7.404 1.00 0.00 C ATOM 419 OE1 GLU A 26 5.294 -15.764 7.670 1.00 0.00 O ATOM 420 OE2 GLU A 26 3.369 -14.806 8.117 1.00 0.00 O ATOM 0 H GLU A 26 5.543 -14.797 3.024 1.00 0.00 H new ATOM 0 HA GLU A 26 2.993 -14.283 4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.952 -16.465 4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.317 -15.929 5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.461 -15.835 6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.496 -17.234 6.266 1.00 0.00 H new ATOM 427 N GLU A 27 5.449 -12.793 5.578 1.00 0.00 N ATOM 428 CA GLU A 27 5.796 -11.784 6.570 1.00 0.00 C ATOM 429 C GLU A 27 5.390 -10.383 6.108 1.00 0.00 C ATOM 430 O GLU A 27 4.705 -9.660 6.825 1.00 0.00 O ATOM 431 CB GLU A 27 7.300 -11.821 6.850 1.00 0.00 C ATOM 432 CG GLU A 27 7.783 -10.691 7.744 1.00 0.00 C ATOM 433 CD GLU A 27 7.131 -10.709 9.113 1.00 0.00 C ATOM 434 OE1 GLU A 27 7.288 -11.719 9.833 1.00 0.00 O ATOM 435 OE2 GLU A 27 6.465 -9.713 9.466 1.00 0.00 O ATOM 0 H GLU A 27 6.215 -13.049 4.955 1.00 0.00 H new ATOM 0 HA GLU A 27 5.248 -12.011 7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.550 -12.774 7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.838 -11.779 5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.864 -10.762 7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.576 -9.736 7.260 1.00 0.00 H new ATOM 442 N MET A 28 5.838 -10.003 4.913 1.00 0.00 N ATOM 443 CA MET A 28 5.543 -8.681 4.358 1.00 0.00 C ATOM 444 C MET A 28 4.236 -8.666 3.569 1.00 0.00 C ATOM 445 O MET A 28 3.419 -7.758 3.719 1.00 0.00 O ATOM 446 CB MET A 28 6.687 -8.226 3.450 1.00 0.00 C ATOM 447 CG MET A 28 8.043 -8.202 4.136 1.00 0.00 C ATOM 448 SD MET A 28 8.097 -7.068 5.535 1.00 0.00 S ATOM 449 CE MET A 28 9.805 -7.249 6.040 1.00 0.00 C ATOM 0 H MET A 28 6.409 -10.593 4.308 1.00 0.00 H new ATOM 0 HA MET A 28 5.436 -7.996 5.199 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.739 -8.889 2.587 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.464 -7.228 3.072 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.290 -9.207 4.479 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.806 -7.916 3.412 1.00 0.00 H new ATOM 0 HE1 MET A 28 10.000 -6.608 6.900 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.996 -8.287 6.310 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.460 -6.961 5.218 1.00 0.00 H new ATOM 459 N LEU A 29 4.059 -9.669 2.721 1.00 0.00 N ATOM 460 CA LEU A 29 2.862 -9.786 1.885 1.00 0.00 C ATOM 461 C LEU A 29 1.602 -9.863 2.746 1.00 0.00 C ATOM 462 O LEU A 29 0.517 -9.478 2.311 1.00 0.00 O ATOM 463 CB LEU A 29 3.001 -11.000 0.946 1.00 0.00 C ATOM 464 CG LEU A 29 1.780 -11.353 0.095 1.00 0.00 C ATOM 465 CD1 LEU A 29 1.447 -10.225 -0.861 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.046 -12.629 -0.688 1.00 0.00 C ATOM 0 H LEU A 29 4.734 -10.423 2.590 1.00 0.00 H new ATOM 0 HA LEU A 29 2.765 -8.893 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.841 -10.818 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.258 -11.870 1.550 1.00 0.00 H new ATOM 0 HG LEU A 29 0.930 -11.506 0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.576 -10.498 -1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.230 -9.320 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.295 -10.045 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.172 -12.874 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.908 -12.483 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.249 -13.446 0.005 1.00 0.00 H new ATOM 478 N GLU A 30 1.756 -10.341 3.976 1.00 0.00 N ATOM 479 CA GLU A 30 0.634 -10.441 4.908 1.00 0.00 C ATOM 480 C GLU A 30 0.284 -9.077 5.491 1.00 0.00 C ATOM 481 O GLU A 30 -0.870 -8.807 5.817 1.00 0.00 O ATOM 482 CB GLU A 30 0.963 -11.404 6.046 1.00 0.00 C ATOM 483 CG GLU A 30 -0.121 -11.487 7.112 1.00 0.00 C ATOM 484 CD GLU A 30 -1.444 -12.007 6.578 1.00 0.00 C ATOM 485 OE1 GLU A 30 -1.514 -12.341 5.377 1.00 0.00 O ATOM 486 OE2 GLU A 30 -2.411 -12.083 7.364 1.00 0.00 O ATOM 0 H GLU A 30 2.646 -10.666 4.353 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.223 -10.819 4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.129 -12.398 5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.897 -11.093 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.219 -12.137 7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.274 -10.498 7.544 1.00 0.00 H new ATOM 493 N LYS A 31 1.289 -8.227 5.630 1.00 0.00 N ATOM 494 CA LYS A 31 1.089 -6.893 6.184 1.00 0.00 C ATOM 495 C LYS A 31 0.681 -5.944 5.081 1.00 0.00 C ATOM 496 O LYS A 31 -0.078 -4.998 5.290 1.00 0.00 O ATOM 497 CB LYS A 31 2.365 -6.410 6.860 1.00 0.00 C ATOM 498 CG LYS A 31 3.070 -7.518 7.616 1.00 0.00 C ATOM 499 CD LYS A 31 2.191 -8.106 8.708 1.00 0.00 C ATOM 500 CE LYS A 31 2.727 -9.442 9.196 1.00 0.00 C ATOM 501 NZ LYS A 31 1.914 -9.993 10.313 1.00 0.00 N ATOM 0 H LYS A 31 2.252 -8.435 5.367 1.00 0.00 H new ATOM 0 HA LYS A 31 0.297 -6.927 6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.039 -6.000 6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.125 -5.600 7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.360 -8.305 6.920 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.987 -7.129 8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.132 -7.409 9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.177 -8.236 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.737 -10.153 8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.759 -9.321 9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.313 -10.904 10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.925 -9.327 11.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.934 -10.133 9.993 1.00 0.00 H new ATOM 515 N LEU A 32 1.190 -6.225 3.895 1.00 0.00 N ATOM 516 CA LEU A 32 0.887 -5.432 2.727 1.00 0.00 C ATOM 517 C LEU A 32 -0.568 -5.637 2.320 1.00 0.00 C ATOM 518 O LEU A 32 -1.175 -4.784 1.671 1.00 0.00 O ATOM 519 CB LEU A 32 1.820 -5.805 1.589 1.00 0.00 C ATOM 520 CG LEU A 32 1.592 -5.009 0.306 1.00 0.00 C ATOM 521 CD1 LEU A 32 1.632 -3.516 0.589 1.00 0.00 C ATOM 522 CD2 LEU A 32 2.619 -5.382 -0.739 1.00 0.00 C ATOM 0 H LEU A 32 1.822 -7.006 3.719 1.00 0.00 H new ATOM 0 HA LEU A 32 1.034 -4.378 2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.850 -5.659 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.702 -6.866 1.371 1.00 0.00 H new ATOM 0 HG LEU A 32 0.604 -5.257 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.468 -2.966 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.852 -3.261 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.605 -3.250 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.441 -4.805 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.618 -5.165 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.539 -6.446 -0.964 1.00 0.00 H new ATOM 534 N GLU A 33 -1.128 -6.779 2.709 1.00 0.00 N ATOM 535 CA GLU A 33 -2.520 -7.079 2.393 1.00 0.00 C ATOM 536 C GLU A 33 -3.434 -6.470 3.444 1.00 0.00 C ATOM 537 O GLU A 33 -4.506 -5.959 3.123 1.00 0.00 O ATOM 538 CB GLU A 33 -2.746 -8.591 2.269 1.00 0.00 C ATOM 539 CG GLU A 33 -2.612 -9.360 3.577 1.00 0.00 C ATOM 540 CD GLU A 33 -3.950 -9.616 4.252 1.00 0.00 C ATOM 541 OE1 GLU A 33 -4.654 -8.639 4.572 1.00 0.00 O ATOM 542 OE2 GLU A 33 -4.288 -10.800 4.457 1.00 0.00 O ATOM 0 H GLU A 33 -0.645 -7.505 3.238 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.760 -6.636 1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.742 -8.764 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.032 -8.994 1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.120 -10.313 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.969 -8.801 4.257 1.00 0.00 H new ATOM 549 N VAL A 34 -2.996 -6.513 4.703 1.00 0.00 N ATOM 550 CA VAL A 34 -3.774 -5.944 5.791 1.00 0.00 C ATOM 551 C VAL A 34 -3.755 -4.422 5.710 1.00 0.00 C ATOM 552 O VAL A 34 -4.756 -3.762 5.999 1.00 0.00 O ATOM 553 CB VAL A 34 -3.277 -6.395 7.178 1.00 0.00 C ATOM 554 CG1 VAL A 34 -3.299 -7.911 7.286 1.00 0.00 C ATOM 555 CG2 VAL A 34 -1.890 -5.848 7.470 1.00 0.00 C ATOM 0 H VAL A 34 -2.112 -6.934 4.988 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.793 -6.312 5.676 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.955 -5.989 7.928 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.945 -8.211 8.272 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.317 -8.271 7.141 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.651 -8.340 6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.567 -6.183 8.455 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.190 -6.209 6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.917 -4.759 7.448 1.00 0.00 H new ATOM 565 N VAL A 35 -2.614 -3.866 5.293 1.00 0.00 N ATOM 566 CA VAL A 35 -2.491 -2.424 5.155 1.00 0.00 C ATOM 567 C VAL A 35 -3.579 -1.922 4.224 1.00 0.00 C ATOM 568 O VAL A 35 -4.311 -0.989 4.552 1.00 0.00 O ATOM 569 CB VAL A 35 -1.104 -1.992 4.619 1.00 0.00 C ATOM 570 CG1 VAL A 35 -0.807 -2.639 3.279 1.00 0.00 C ATOM 571 CG2 VAL A 35 -1.021 -0.482 4.493 1.00 0.00 C ATOM 0 H VAL A 35 -1.774 -4.391 5.049 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.599 -1.986 6.147 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.356 -2.328 5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.173 -2.316 2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.814 -3.723 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.566 -2.343 2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.038 -0.202 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.789 -0.132 3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.177 -0.026 5.471 1.00 0.00 H new ATOM 581 N VAL A 36 -3.716 -2.576 3.074 1.00 0.00 N ATOM 582 CA VAL A 36 -4.755 -2.200 2.139 1.00 0.00 C ATOM 583 C VAL A 36 -6.080 -2.775 2.591 1.00 0.00 C ATOM 584 O VAL A 36 -7.116 -2.213 2.321 1.00 0.00 O ATOM 585 CB VAL A 36 -4.467 -2.631 0.688 1.00 0.00 C ATOM 586 CG1 VAL A 36 -4.540 -4.145 0.526 1.00 0.00 C ATOM 587 CG2 VAL A 36 -5.410 -1.914 -0.263 1.00 0.00 C ATOM 0 H VAL A 36 -3.128 -3.355 2.776 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.790 -1.111 2.136 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.446 -2.343 0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.331 -4.411 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.804 -4.616 1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.537 -4.492 0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.200 -2.224 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.440 -2.165 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.267 -0.837 -0.174 1.00 0.00 H new ATOM 597 N ASN A 37 -6.038 -3.891 3.304 1.00 0.00 N ATOM 598 CA ASN A 37 -7.259 -4.510 3.811 1.00 0.00 C ATOM 599 C ASN A 37 -8.156 -3.428 4.385 1.00 0.00 C ATOM 600 O ASN A 37 -9.362 -3.388 4.129 1.00 0.00 O ATOM 601 CB ASN A 37 -6.906 -5.523 4.896 1.00 0.00 C ATOM 602 CG ASN A 37 -8.074 -6.388 5.318 1.00 0.00 C ATOM 603 OD1 ASN A 37 -9.147 -5.890 5.655 1.00 0.00 O ATOM 604 ND2 ASN A 37 -7.855 -7.697 5.319 1.00 0.00 N ATOM 0 H ASN A 37 -5.179 -4.386 3.545 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.778 -5.025 3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.101 -6.164 4.536 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.524 -4.992 5.768 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.594 -8.338 5.608 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.947 -8.062 5.031 1.00 0.00 H new ATOM 611 N GLU A 38 -7.528 -2.531 5.133 1.00 0.00 N ATOM 612 CA GLU A 38 -8.226 -1.401 5.732 1.00 0.00 C ATOM 613 C GLU A 38 -8.711 -0.469 4.630 1.00 0.00 C ATOM 614 O GLU A 38 -9.829 0.040 4.670 1.00 0.00 O ATOM 615 CB GLU A 38 -7.305 -0.649 6.696 1.00 0.00 C ATOM 616 CG GLU A 38 -6.793 -1.508 7.841 1.00 0.00 C ATOM 617 CD GLU A 38 -5.882 -0.744 8.779 1.00 0.00 C ATOM 618 OE1 GLU A 38 -6.339 0.258 9.368 1.00 0.00 O ATOM 619 OE2 GLU A 38 -4.709 -1.148 8.929 1.00 0.00 O ATOM 0 H GLU A 38 -6.530 -2.565 5.341 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.081 -1.769 6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.455 -0.255 6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.842 0.206 7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.640 -1.901 8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.255 -2.365 7.435 1.00 0.00 H new ATOM 626 N ARG A 39 -7.857 -0.277 3.630 1.00 0.00 N ATOM 627 CA ARG A 39 -8.189 0.563 2.486 1.00 0.00 C ATOM 628 C ARG A 39 -9.255 -0.112 1.629 1.00 0.00 C ATOM 629 O ARG A 39 -10.326 0.431 1.385 1.00 0.00 O ATOM 630 CB ARG A 39 -6.943 0.819 1.639 1.00 0.00 C ATOM 631 CG ARG A 39 -5.990 1.839 2.236 1.00 0.00 C ATOM 632 CD ARG A 39 -5.336 1.332 3.504 1.00 0.00 C ATOM 633 NE ARG A 39 -4.692 2.404 4.257 1.00 0.00 N ATOM 634 CZ ARG A 39 -5.357 3.396 4.841 1.00 0.00 C ATOM 635 NH1 ARG A 39 -6.681 3.436 4.779 1.00 0.00 N ATOM 636 NH2 ARG A 39 -4.702 4.348 5.490 1.00 0.00 N ATOM 0 H ARG A 39 -6.927 -0.694 3.589 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.573 1.514 2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.411 -0.122 1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.252 1.160 0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.220 2.087 1.505 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.533 2.759 2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.086 0.850 4.130 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.596 0.572 3.251 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.675 2.391 4.340 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.191 2.705 4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.190 4.198 5.228 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.684 4.321 5.543 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.216 5.107 5.937 1.00 0.00 H new ATOM 650 N ARG A 40 -8.944 -1.315 1.187 1.00 0.00 N ATOM 651 CA ARG A 40 -9.846 -2.101 0.364 1.00 0.00 C ATOM 652 C ARG A 40 -11.273 -2.067 0.912 1.00 0.00 C ATOM 653 O ARG A 40 -12.238 -2.068 0.149 1.00 0.00 O ATOM 654 CB ARG A 40 -9.329 -3.544 0.270 1.00 0.00 C ATOM 655 CG ARG A 40 -8.335 -3.779 -0.857 1.00 0.00 C ATOM 656 CD ARG A 40 -8.913 -3.369 -2.203 1.00 0.00 C ATOM 657 NE ARG A 40 -7.953 -3.536 -3.290 1.00 0.00 N ATOM 658 CZ ARG A 40 -8.200 -3.191 -4.551 1.00 0.00 C ATOM 659 NH1 ARG A 40 -9.369 -2.654 -4.876 1.00 0.00 N ATOM 660 NH2 ARG A 40 -7.282 -3.380 -5.487 1.00 0.00 N ATOM 0 H ARG A 40 -8.057 -1.777 1.388 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.874 -1.666 -0.635 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.858 -3.812 1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.178 -4.214 0.136 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.423 -3.214 -0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.057 -4.833 -0.885 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.802 -3.964 -2.411 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.230 -2.327 -2.158 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.042 -3.940 -3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.079 -2.505 -4.159 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.558 -2.390 -5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.381 -3.792 -5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.476 -3.114 -6.452 1.00 0.00 H new ATOM 674 N GLU A 41 -11.402 -2.048 2.236 1.00 0.00 N ATOM 675 CA GLU A 41 -12.710 -2.027 2.880 1.00 0.00 C ATOM 676 C GLU A 41 -13.280 -0.609 3.054 1.00 0.00 C ATOM 677 O GLU A 41 -14.415 -0.340 2.657 1.00 0.00 O ATOM 678 CB GLU A 41 -12.616 -2.721 4.238 1.00 0.00 C ATOM 679 CG GLU A 41 -13.862 -2.562 5.086 1.00 0.00 C ATOM 680 CD GLU A 41 -13.747 -3.243 6.436 1.00 0.00 C ATOM 681 OE1 GLU A 41 -12.689 -3.846 6.709 1.00 0.00 O ATOM 682 OE2 GLU A 41 -14.719 -3.176 7.217 1.00 0.00 O ATOM 0 H GLU A 41 -10.614 -2.047 2.884 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.399 -2.558 2.223 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.425 -3.783 4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.761 -2.321 4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -14.061 -1.501 5.236 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -14.716 -2.974 4.549 1.00 0.00 H new ATOM 689 N GLU A 42 -12.509 0.287 3.671 1.00 0.00 N ATOM 690 CA GLU A 42 -12.967 1.659 3.922 1.00 0.00 C ATOM 691 C GLU A 42 -12.702 2.587 2.740 1.00 0.00 C ATOM 692 O GLU A 42 -13.534 3.427 2.400 1.00 0.00 O ATOM 693 CB GLU A 42 -12.307 2.228 5.182 1.00 0.00 C ATOM 694 CG GLU A 42 -12.943 1.755 6.484 1.00 0.00 C ATOM 695 CD GLU A 42 -12.686 0.289 6.784 1.00 0.00 C ATOM 696 OE1 GLU A 42 -11.919 -0.350 6.036 1.00 0.00 O ATOM 697 OE2 GLU A 42 -13.245 -0.215 7.780 1.00 0.00 O ATOM 0 H GLU A 42 -11.566 0.091 4.007 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.046 1.606 4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.253 1.952 5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.351 3.316 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.560 2.359 7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.019 1.925 6.437 1.00 0.00 H new ATOM 704 N GLU A 43 -11.541 2.440 2.128 1.00 0.00 N ATOM 705 CA GLU A 43 -11.171 3.274 0.990 1.00 0.00 C ATOM 706 C GLU A 43 -12.167 3.109 -0.148 1.00 0.00 C ATOM 707 O GLU A 43 -12.653 4.097 -0.702 1.00 0.00 O ATOM 708 CB GLU A 43 -9.763 2.946 0.520 1.00 0.00 C ATOM 709 CG GLU A 43 -9.390 3.601 -0.796 1.00 0.00 C ATOM 710 CD GLU A 43 -9.523 5.113 -0.792 1.00 0.00 C ATOM 711 OE1 GLU A 43 -10.639 5.616 -0.548 1.00 0.00 O ATOM 712 OE2 GLU A 43 -8.510 5.796 -1.045 1.00 0.00 O ATOM 0 H GLU A 43 -10.836 1.753 2.396 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.192 4.315 1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.052 3.258 1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.666 1.865 0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.361 3.338 -1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.022 3.193 -1.585 1.00 0.00 H new ATOM 719 N SER A 44 -12.495 1.862 -0.479 1.00 0.00 N ATOM 720 CA SER A 44 -13.468 1.605 -1.531 1.00 0.00 C ATOM 721 C SER A 44 -14.743 2.355 -1.193 1.00 0.00 C ATOM 722 O SER A 44 -15.443 2.868 -2.068 1.00 0.00 O ATOM 723 CB SER A 44 -13.746 0.105 -1.659 1.00 0.00 C ATOM 724 OG SER A 44 -12.573 -0.602 -2.021 1.00 0.00 O ATOM 0 H SER A 44 -12.107 1.027 -0.040 1.00 0.00 H new ATOM 0 HA SER A 44 -13.075 1.948 -2.488 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.129 -0.279 -0.713 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.521 -0.062 -2.408 1.00 0.00 H new ATOM 0 HG SER A 44 -12.121 -0.921 -1.212 1.00 0.00 H new ATOM 730 N ALA A 45 -15.010 2.435 0.107 1.00 0.00 N ATOM 731 CA ALA A 45 -16.166 3.140 0.626 1.00 0.00 C ATOM 732 C ALA A 45 -16.015 4.639 0.391 1.00 0.00 C ATOM 733 O ALA A 45 -16.967 5.318 0.011 1.00 0.00 O ATOM 734 CB ALA A 45 -16.322 2.843 2.110 1.00 0.00 C ATOM 0 H ALA A 45 -14.426 2.010 0.828 1.00 0.00 H new ATOM 0 HA ALA A 45 -17.060 2.800 0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -17.191 3.374 2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -16.457 1.771 2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -15.429 3.171 2.643 1.00 0.00 H new ATOM 740 N ALA A 46 -14.800 5.143 0.613 1.00 0.00 N ATOM 741 CA ALA A 46 -14.503 6.558 0.419 1.00 0.00 C ATOM 742 C ALA A 46 -14.670 6.946 -1.045 1.00 0.00 C ATOM 743 O ALA A 46 -15.182 8.021 -1.360 1.00 0.00 O ATOM 744 CB ALA A 46 -13.088 6.872 0.889 1.00 0.00 C ATOM 0 H ALA A 46 -14.005 4.588 0.928 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.207 7.141 1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.881 7.931 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.995 6.632 1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.375 6.278 0.318 1.00 0.00 H new ATOM 947 N GLU B 2 -10.693 -8.323 -1.447 1.00 0.00 N ATOM 948 CA GLU B 2 -9.800 -8.000 -2.554 1.00 0.00 C ATOM 949 C GLU B 2 -8.339 -8.051 -2.114 1.00 0.00 C ATOM 950 O GLU B 2 -7.466 -8.456 -2.880 1.00 0.00 O ATOM 951 CB GLU B 2 -10.129 -6.617 -3.115 1.00 0.00 C ATOM 952 CG GLU B 2 -9.291 -6.235 -4.326 1.00 0.00 C ATOM 953 CD GLU B 2 -9.537 -7.136 -5.524 1.00 0.00 C ATOM 954 OE1 GLU B 2 -10.397 -8.036 -5.426 1.00 0.00 O ATOM 955 OE2 GLU B 2 -8.871 -6.935 -6.560 1.00 0.00 O ATOM 0 HA GLU B 2 -9.949 -8.746 -3.335 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -11.183 -6.587 -3.389 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -9.982 -5.872 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -9.510 -5.204 -4.602 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -8.235 -6.276 -4.058 1.00 0.00 H new ATOM 962 N ALA B 3 -8.083 -7.636 -0.877 1.00 0.00 N ATOM 963 CA ALA B 3 -6.731 -7.633 -0.327 1.00 0.00 C ATOM 964 C ALA B 3 -6.347 -9.025 0.135 1.00 0.00 C ATOM 965 O ALA B 3 -5.171 -9.361 0.276 1.00 0.00 O ATOM 966 CB ALA B 3 -6.632 -6.648 0.826 1.00 0.00 C ATOM 0 H ALA B 3 -8.798 -7.296 -0.234 1.00 0.00 H new ATOM 0 HA ALA B 3 -6.038 -7.323 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -5.618 -6.657 1.226 1.00 0.00 H new ATOM 0 HB2 ALA B 3 -6.873 -5.646 0.470 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -7.334 -6.934 1.610 1.00 0.00 H new ATOM 972 N LEU B 4 -7.367 -9.819 0.382 1.00 0.00 N ATOM 973 CA LEU B 4 -7.206 -11.182 0.842 1.00 0.00 C ATOM 974 C LEU B 4 -7.007 -12.129 -0.335 1.00 0.00 C ATOM 975 O LEU B 4 -6.202 -13.059 -0.282 1.00 0.00 O ATOM 976 CB LEU B 4 -8.445 -11.568 1.645 1.00 0.00 C ATOM 977 CG LEU B 4 -8.745 -10.644 2.832 1.00 0.00 C ATOM 978 CD1 LEU B 4 -7.468 -10.353 3.599 1.00 0.00 C ATOM 979 CD2 LEU B 4 -9.395 -9.347 2.365 1.00 0.00 C ATOM 0 H LEU B 4 -8.340 -9.534 0.268 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.320 -11.257 1.473 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -9.307 -11.574 0.978 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -8.321 -12.586 2.015 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.448 -11.151 3.494 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -7.690 -9.696 4.440 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -7.045 -11.287 3.970 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.750 -9.867 2.939 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -9.597 -8.710 3.226 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.723 -8.829 1.681 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.331 -9.573 1.853 1.00 0.00 H new ATOM 991 N LYS B 5 -7.759 -11.870 -1.390 1.00 0.00 N ATOM 992 CA LYS B 5 -7.709 -12.667 -2.608 1.00 0.00 C ATOM 993 C LYS B 5 -6.555 -12.234 -3.506 1.00 0.00 C ATOM 994 O LYS B 5 -6.015 -13.040 -4.263 1.00 0.00 O ATOM 995 CB LYS B 5 -9.043 -12.559 -3.355 1.00 0.00 C ATOM 996 CG LYS B 5 -9.100 -13.355 -4.649 1.00 0.00 C ATOM 997 CD LYS B 5 -8.429 -12.614 -5.795 1.00 0.00 C ATOM 998 CE LYS B 5 -8.538 -13.382 -7.102 1.00 0.00 C ATOM 999 NZ LYS B 5 -9.954 -13.577 -7.515 1.00 0.00 N ATOM 0 H LYS B 5 -8.425 -11.098 -1.429 1.00 0.00 H new ATOM 0 HA LYS B 5 -7.538 -13.707 -2.331 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -9.843 -12.899 -2.697 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -9.237 -11.510 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -8.613 -14.320 -4.505 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -10.140 -13.558 -4.906 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -8.887 -11.632 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -7.378 -12.449 -5.556 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -8.002 -12.845 -7.885 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -8.054 -14.353 -6.994 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -9.987 -13.886 -8.507 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -10.395 -14.301 -6.912 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -10.472 -12.680 -7.415 1.00 0.00 H new ATOM 1013 N ILE B 6 -6.176 -10.963 -3.418 1.00 0.00 N ATOM 1014 CA ILE B 6 -5.088 -10.441 -4.226 1.00 0.00 C ATOM 1015 C ILE B 6 -3.862 -11.302 -4.029 1.00 0.00 C ATOM 1016 O ILE B 6 -3.267 -11.802 -4.982 1.00 0.00 O ATOM 1017 CB ILE B 6 -4.771 -8.975 -3.851 1.00 0.00 C ATOM 1018 CG1 ILE B 6 -3.652 -8.423 -4.735 1.00 0.00 C ATOM 1019 CG2 ILE B 6 -4.396 -8.859 -2.382 1.00 0.00 C ATOM 1020 CD1 ILE B 6 -2.257 -8.808 -4.293 1.00 0.00 C ATOM 0 H ILE B 6 -6.607 -10.280 -2.796 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.389 -10.462 -5.273 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.669 -8.381 -4.020 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -3.806 -8.773 -5.756 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -3.726 -7.336 -4.757 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -4.178 -7.818 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.226 -9.206 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.515 -9.470 -2.182 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.526 -8.374 -4.976 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -2.078 -8.434 -3.285 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.160 -9.894 -4.300 1.00 0.00 H new ATOM 1032 N LEU B 7 -3.518 -11.486 -2.773 1.00 0.00 N ATOM 1033 CA LEU B 7 -2.393 -12.305 -2.403 1.00 0.00 C ATOM 1034 C LEU B 7 -2.859 -13.748 -2.250 1.00 0.00 C ATOM 1035 O LEU B 7 -2.052 -14.675 -2.175 1.00 0.00 O ATOM 1036 CB LEU B 7 -1.764 -11.772 -1.105 1.00 0.00 C ATOM 1037 CG LEU B 7 -1.925 -12.652 0.139 1.00 0.00 C ATOM 1038 CD1 LEU B 7 -0.840 -13.715 0.187 1.00 0.00 C ATOM 1039 CD2 LEU B 7 -1.895 -11.805 1.399 1.00 0.00 C ATOM 0 H LEU B 7 -4.012 -11.071 -1.983 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.628 -12.270 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.699 -11.618 -1.279 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.197 -10.795 -0.891 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.892 -13.151 0.082 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.972 -14.329 1.078 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.907 -14.344 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.138 -13.235 0.219 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -2.011 -12.447 2.272 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.943 -11.278 1.460 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.710 -11.081 1.370 1.00 0.00 H new ATOM 1051 N ASN B 8 -4.183 -13.923 -2.207 1.00 0.00 N ATOM 1052 CA ASN B 8 -4.780 -15.249 -2.057 1.00 0.00 C ATOM 1053 C ASN B 8 -4.348 -15.893 -0.742 1.00 0.00 C ATOM 1054 O ASN B 8 -4.187 -17.111 -0.659 1.00 0.00 O ATOM 1055 CB ASN B 8 -4.392 -16.152 -3.232 1.00 0.00 C ATOM 1056 CG ASN B 8 -4.986 -15.687 -4.546 1.00 0.00 C ATOM 1057 OD1 ASN B 8 -6.206 -15.632 -4.704 1.00 0.00 O ATOM 1058 ND2 ASN B 8 -4.125 -15.347 -5.497 1.00 0.00 N ATOM 0 H ASN B 8 -4.859 -13.163 -2.274 1.00 0.00 H new ATOM 0 HA ASN B 8 -5.863 -15.129 -2.048 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.306 -16.182 -3.319 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.724 -17.170 -3.028 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -4.466 -15.025 -6.402 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.122 -15.408 -5.322 1.00 0.00 H new ATOM 1065 N ASN B 9 -4.179 -15.062 0.284 1.00 0.00 N ATOM 1066 CA ASN B 9 -3.781 -15.524 1.609 1.00 0.00 C ATOM 1067 C ASN B 9 -2.414 -16.209 1.584 1.00 0.00 C ATOM 1068 O ASN B 9 -2.180 -17.139 0.813 1.00 0.00 O ATOM 1069 CB ASN B 9 -4.840 -16.470 2.178 1.00 0.00 C ATOM 1070 CG ASN B 9 -6.199 -15.806 2.330 1.00 0.00 C ATOM 1071 OD1 ASN B 9 -7.166 -16.442 2.752 1.00 0.00 O ATOM 1072 ND2 ASN B 9 -6.283 -14.521 1.992 1.00 0.00 N ATOM 0 H ASN B 9 -4.314 -14.053 0.220 1.00 0.00 H new ATOM 0 HA ASN B 9 -3.698 -14.649 2.254 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -4.935 -17.337 1.525 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -4.509 -16.837 3.149 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -7.172 -14.028 2.079 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -5.459 -14.030 1.646 1.00 0.00 H new ATOM 1079 N ILE B 10 -1.519 -15.736 2.447 1.00 0.00 N ATOM 1080 CA ILE B 10 -0.172 -16.286 2.554 1.00 0.00 C ATOM 1081 C ILE B 10 -0.208 -17.766 2.924 1.00 0.00 C ATOM 1082 O ILE B 10 0.656 -18.538 2.515 1.00 0.00 O ATOM 1083 CB ILE B 10 0.647 -15.519 3.603 1.00 0.00 C ATOM 1084 CG1 ILE B 10 -0.103 -15.506 4.937 1.00 0.00 C ATOM 1085 CG2 ILE B 10 0.934 -14.101 3.122 1.00 0.00 C ATOM 1086 CD1 ILE B 10 0.517 -14.604 5.976 1.00 0.00 C ATOM 0 H ILE B 10 -1.706 -14.965 3.088 1.00 0.00 H new ATOM 0 HA ILE B 10 0.302 -16.179 1.578 1.00 0.00 H new ATOM 0 HB ILE B 10 1.603 -16.022 3.748 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -1.131 -15.190 4.762 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -0.145 -16.522 5.330 1.00 0.00 H new ATOM 0 HG21 ILE B 10 1.515 -13.571 3.877 1.00 0.00 H new ATOM 0 HG22 ILE B 10 1.499 -14.140 2.191 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -0.007 -13.576 2.954 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -0.070 -14.648 6.893 1.00 0.00 H new ATOM 0 HD12 ILE B 10 1.536 -14.932 6.181 1.00 0.00 H new ATOM 0 HD13 ILE B 10 0.534 -13.579 5.605 1.00 0.00 H new ATOM 1098 N ARG B 11 -1.215 -18.154 3.701 1.00 0.00 N ATOM 1099 CA ARG B 11 -1.364 -19.544 4.124 1.00 0.00 C ATOM 1100 C ARG B 11 -1.442 -20.481 2.918 1.00 0.00 C ATOM 1101 O ARG B 11 -0.709 -21.470 2.838 1.00 0.00 O ATOM 1102 CB ARG B 11 -2.617 -19.697 4.992 1.00 0.00 C ATOM 1103 CG ARG B 11 -3.876 -19.123 4.359 1.00 0.00 C ATOM 1104 CD ARG B 11 -5.098 -19.367 5.231 1.00 0.00 C ATOM 1105 NE ARG B 11 -4.941 -18.814 6.572 1.00 0.00 N ATOM 1106 CZ ARG B 11 -4.814 -17.515 6.829 1.00 0.00 C ATOM 1107 NH1 ARG B 11 -4.840 -16.631 5.839 1.00 0.00 N ATOM 1108 NH2 ARG B 11 -4.665 -17.097 8.078 1.00 0.00 N ATOM 0 H ARG B 11 -1.939 -17.527 4.051 1.00 0.00 H new ATOM 0 HA ARG B 11 -0.486 -19.818 4.710 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -2.776 -20.755 5.201 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -2.446 -19.205 5.950 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -3.749 -18.052 4.200 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.031 -19.575 3.379 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -5.974 -18.923 4.758 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -5.283 -20.439 5.302 1.00 0.00 H new ATOM 0 HE ARG B 11 -4.928 -19.462 7.359 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -4.958 -16.947 4.876 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -4.742 -15.636 6.041 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -4.648 -17.772 8.843 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -4.568 -16.101 8.274 1.00 0.00 H new ATOM 1122 N THR B 12 -2.323 -20.158 1.981 1.00 0.00 N ATOM 1123 CA THR B 12 -2.488 -20.960 0.776 1.00 0.00 C ATOM 1124 C THR B 12 -1.305 -20.765 -0.162 1.00 0.00 C ATOM 1125 O THR B 12 -0.911 -21.677 -0.891 1.00 0.00 O ATOM 1126 CB THR B 12 -3.789 -20.593 0.034 1.00 0.00 C ATOM 1127 OG1 THR B 12 -4.923 -20.860 0.868 1.00 0.00 O ATOM 1128 CG2 THR B 12 -3.911 -21.376 -1.264 1.00 0.00 C ATOM 0 H THR B 12 -2.936 -19.344 2.032 1.00 0.00 H new ATOM 0 HA THR B 12 -2.541 -22.004 1.084 1.00 0.00 H new ATOM 0 HB THR B 12 -3.757 -19.530 -0.203 1.00 0.00 H new ATOM 0 HG1 THR B 12 -5.744 -20.622 0.389 1.00 0.00 H new ATOM 0 HG21 THR B 12 -4.836 -21.100 -1.770 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.063 -21.146 -1.909 1.00 0.00 H new ATOM 0 HG23 THR B 12 -3.921 -22.444 -1.045 1.00 0.00 H new ATOM 1136 N LEU B 13 -0.751 -19.558 -0.142 1.00 0.00 N ATOM 1137 CA LEU B 13 0.378 -19.216 -0.992 1.00 0.00 C ATOM 1138 C LEU B 13 1.615 -20.048 -0.673 1.00 0.00 C ATOM 1139 O LEU B 13 2.134 -20.746 -1.540 1.00 0.00 O ATOM 1140 CB LEU B 13 0.708 -17.730 -0.859 1.00 0.00 C ATOM 1141 CG LEU B 13 2.055 -17.316 -1.451 1.00 0.00 C ATOM 1142 CD1 LEU B 13 2.272 -17.978 -2.802 1.00 0.00 C ATOM 1143 CD2 LEU B 13 2.146 -15.806 -1.561 1.00 0.00 C ATOM 0 H LEU B 13 -1.069 -18.797 0.458 1.00 0.00 H new ATOM 0 HA LEU B 13 0.086 -19.439 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -0.079 -17.153 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU B 13 0.694 -17.462 0.198 1.00 0.00 H new ATOM 0 HG LEU B 13 2.846 -17.653 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.236 -17.671 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU B 13 2.257 -19.061 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU B 13 1.479 -17.677 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU B 13 3.112 -15.530 -1.984 1.00 0.00 H new ATOM 0 HD22 LEU B 13 1.348 -15.440 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU B 13 2.044 -15.362 -0.571 1.00 0.00 H new ATOM 1155 N ARG B 14 2.093 -19.958 0.561 1.00 0.00 N ATOM 1156 CA ARG B 14 3.283 -20.695 0.978 1.00 0.00 C ATOM 1157 C ARG B 14 3.213 -22.147 0.524 1.00 0.00 C ATOM 1158 O ARG B 14 4.239 -22.803 0.359 1.00 0.00 O ATOM 1159 CB ARG B 14 3.447 -20.635 2.497 1.00 0.00 C ATOM 1160 CG ARG B 14 3.622 -19.225 3.035 1.00 0.00 C ATOM 1161 CD ARG B 14 3.846 -19.212 4.543 1.00 0.00 C ATOM 1162 NE ARG B 14 5.108 -19.844 4.929 1.00 0.00 N ATOM 1163 CZ ARG B 14 5.275 -21.157 5.071 1.00 0.00 C ATOM 1164 NH1 ARG B 14 4.247 -21.983 4.932 1.00 0.00 N ATOM 1165 NH2 ARG B 14 6.472 -21.643 5.374 1.00 0.00 N ATOM 0 H ARG B 14 1.676 -19.382 1.293 1.00 0.00 H new ATOM 0 HA ARG B 14 4.147 -20.225 0.508 1.00 0.00 H new ATOM 0 HB2 ARG B 14 2.574 -21.088 2.966 1.00 0.00 H new ATOM 0 HB3 ARG B 14 4.311 -21.234 2.785 1.00 0.00 H new ATOM 0 HG2 ARG B 14 4.468 -18.750 2.539 1.00 0.00 H new ATOM 0 HG3 ARG B 14 2.739 -18.633 2.795 1.00 0.00 H new ATOM 0 HD2 ARG B 14 3.836 -18.182 4.899 1.00 0.00 H new ATOM 0 HD3 ARG B 14 3.021 -19.727 5.034 1.00 0.00 H new ATOM 0 HE ARG B 14 5.912 -19.240 5.100 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.321 -21.613 4.715 1.00 0.00 H new ATOM 0 HH12 ARG B 14 4.382 -22.988 5.042 1.00 0.00 H new ATOM 0 HH21 ARG B 14 7.263 -21.011 5.498 1.00 0.00 H new ATOM 0 HH22 ARG B 14 6.601 -22.649 5.483 1.00 0.00 H new ATOM 1179 N ALA B 15 1.996 -22.639 0.330 1.00 0.00 N ATOM 1180 CA ALA B 15 1.779 -24.016 -0.096 1.00 0.00 C ATOM 1181 C ALA B 15 1.810 -24.157 -1.614 1.00 0.00 C ATOM 1182 O ALA B 15 2.522 -25.004 -2.153 1.00 0.00 O ATOM 1183 CB ALA B 15 0.452 -24.517 0.430 1.00 0.00 C ATOM 0 H ALA B 15 1.139 -22.101 0.462 1.00 0.00 H new ATOM 0 HA ALA B 15 2.593 -24.615 0.313 1.00 0.00 H new ATOM 0 HB1 ALA B 15 0.298 -25.547 0.107 1.00 0.00 H new ATOM 0 HB2 ALA B 15 0.453 -24.475 1.519 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -0.352 -23.891 0.043 1.00 0.00 H new ATOM 1189 N GLN B 16 1.027 -23.329 -2.298 1.00 0.00 N ATOM 1190 CA GLN B 16 0.967 -23.378 -3.757 1.00 0.00 C ATOM 1191 C GLN B 16 2.320 -23.010 -4.338 1.00 0.00 C ATOM 1192 O GLN B 16 2.749 -23.542 -5.364 1.00 0.00 O ATOM 1193 CB GLN B 16 -0.096 -22.410 -4.286 1.00 0.00 C ATOM 1194 CG GLN B 16 0.284 -20.950 -4.101 1.00 0.00 C ATOM 1195 CD GLN B 16 -0.746 -19.989 -4.660 1.00 0.00 C ATOM 1196 OE1 GLN B 16 -1.126 -20.075 -5.827 1.00 0.00 O ATOM 1197 NE2 GLN B 16 -1.193 -19.055 -3.827 1.00 0.00 N ATOM 0 H GLN B 16 0.429 -22.621 -1.871 1.00 0.00 H new ATOM 0 HA GLN B 16 0.701 -24.391 -4.059 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -0.262 -22.605 -5.346 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -1.040 -22.601 -3.775 1.00 0.00 H new ATOM 0 HG2 GLN B 16 0.420 -20.749 -3.038 1.00 0.00 H new ATOM 0 HG3 GLN B 16 1.243 -20.767 -4.586 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -0.850 -19.021 -2.867 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -1.879 -18.372 -4.148 1.00 0.00 H new ATOM 1206 N ALA B 17 2.975 -22.090 -3.657 1.00 0.00 N ATOM 1207 CA ALA B 17 4.283 -21.603 -4.046 1.00 0.00 C ATOM 1208 C ALA B 17 5.370 -22.497 -3.491 1.00 0.00 C ATOM 1209 O ALA B 17 6.500 -22.483 -3.972 1.00 0.00 O ATOM 1210 CB ALA B 17 4.472 -20.180 -3.572 1.00 0.00 C ATOM 0 H ALA B 17 2.610 -21.656 -2.809 1.00 0.00 H new ATOM 0 HA ALA B 17 4.351 -21.619 -5.134 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.459 -19.825 -3.870 1.00 0.00 H new ATOM 0 HB2 ALA B 17 3.707 -19.544 -4.017 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.386 -20.144 -2.486 1.00 0.00 H new ATOM 1216 N ARG B 18 5.019 -23.271 -2.467 1.00 0.00 N ATOM 1217 CA ARG B 18 5.964 -24.180 -1.837 1.00 0.00 C ATOM 1218 C ARG B 18 6.764 -24.927 -2.896 1.00 0.00 C ATOM 1219 O ARG B 18 7.916 -25.303 -2.672 1.00 0.00 O ATOM 1220 CB ARG B 18 5.210 -25.172 -0.957 1.00 0.00 C ATOM 1221 CG ARG B 18 6.100 -26.123 -0.186 1.00 0.00 C ATOM 1222 CD ARG B 18 5.267 -27.025 0.701 1.00 0.00 C ATOM 1223 NE ARG B 18 6.089 -27.951 1.475 1.00 0.00 N ATOM 1224 CZ ARG B 18 5.590 -28.846 2.323 1.00 0.00 C ATOM 1225 NH1 ARG B 18 4.280 -28.935 2.504 1.00 0.00 N ATOM 1226 NH2 ARG B 18 6.404 -29.653 2.990 1.00 0.00 N ATOM 0 H ARG B 18 4.085 -23.284 -2.058 1.00 0.00 H new ATOM 0 HA ARG B 18 6.655 -23.604 -1.221 1.00 0.00 H new ATOM 0 HB2 ARG B 18 4.593 -24.617 -0.250 1.00 0.00 H new ATOM 0 HB3 ARG B 18 4.533 -25.753 -1.583 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.686 -26.726 -0.880 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.807 -25.558 0.421 1.00 0.00 H new ATOM 0 HD2 ARG B 18 4.673 -26.415 1.381 1.00 0.00 H new ATOM 0 HD3 ARG B 18 4.567 -27.591 0.086 1.00 0.00 H new ATOM 0 HE ARG B 18 7.102 -27.909 1.359 1.00 0.00 H new ATOM 0 HH11 ARG B 18 3.651 -28.316 1.992 1.00 0.00 H new ATOM 0 HH12 ARG B 18 3.901 -29.622 3.155 1.00 0.00 H new ATOM 0 HH21 ARG B 18 7.413 -29.587 2.853 1.00 0.00 H new ATOM 0 HH22 ARG B 18 6.021 -30.339 3.640 1.00 0.00 H new ATOM 1240 N GLU B 19 6.140 -25.136 -4.051 1.00 0.00 N ATOM 1241 CA GLU B 19 6.789 -25.838 -5.153 1.00 0.00 C ATOM 1242 C GLU B 19 7.286 -24.864 -6.221 1.00 0.00 C ATOM 1243 O GLU B 19 7.232 -25.164 -7.413 1.00 0.00 O ATOM 1244 CB GLU B 19 5.820 -26.844 -5.778 1.00 0.00 C ATOM 1245 CG GLU B 19 5.322 -27.897 -4.800 1.00 0.00 C ATOM 1246 CD GLU B 19 4.363 -28.883 -5.441 1.00 0.00 C ATOM 1247 OE1 GLU B 19 4.084 -28.741 -6.650 1.00 0.00 O ATOM 1248 OE2 GLU B 19 3.891 -29.796 -4.730 1.00 0.00 O ATOM 0 H GLU B 19 5.187 -24.830 -4.248 1.00 0.00 H new ATOM 0 HA GLU B 19 7.653 -26.367 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU B 19 4.965 -26.306 -6.187 1.00 0.00 H new ATOM 0 HB3 GLU B 19 6.313 -27.340 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.174 -28.439 -4.391 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.826 -27.405 -3.964 1.00 0.00 H new ATOM 1255 N SER B 20 7.776 -23.699 -5.791 1.00 0.00 N ATOM 1256 CA SER B 20 8.282 -22.694 -6.723 1.00 0.00 C ATOM 1257 C SER B 20 9.100 -21.623 -6.001 1.00 0.00 C ATOM 1258 O SER B 20 9.481 -21.791 -4.843 1.00 0.00 O ATOM 1259 CB SER B 20 7.122 -22.029 -7.472 1.00 0.00 C ATOM 1260 OG SER B 20 6.402 -22.969 -8.250 1.00 0.00 O ATOM 0 H SER B 20 7.832 -23.431 -4.808 1.00 0.00 H new ATOM 0 HA SER B 20 8.932 -23.205 -7.434 1.00 0.00 H new ATOM 0 HB2 SER B 20 6.449 -21.555 -6.757 1.00 0.00 H new ATOM 0 HB3 SER B 20 7.508 -21.240 -8.117 1.00 0.00 H new ATOM 0 HG SER B 20 6.922 -23.796 -8.328 1.00 0.00 H new ATOM 1266 N THR B 21 9.363 -20.523 -6.704 1.00 0.00 N ATOM 1267 CA THR B 21 10.133 -19.411 -6.153 1.00 0.00 C ATOM 1268 C THR B 21 9.212 -18.368 -5.522 1.00 0.00 C ATOM 1269 O THR B 21 8.025 -18.308 -5.836 1.00 0.00 O ATOM 1270 CB THR B 21 10.993 -18.737 -7.245 1.00 0.00 C ATOM 1271 OG1 THR B 21 11.837 -19.712 -7.871 1.00 0.00 O ATOM 1272 CG2 THR B 21 11.851 -17.626 -6.661 1.00 0.00 C ATOM 0 H THR B 21 9.051 -20.378 -7.664 1.00 0.00 H new ATOM 0 HA THR B 21 10.789 -19.820 -5.385 1.00 0.00 H new ATOM 0 HB THR B 21 10.320 -18.302 -7.984 1.00 0.00 H new ATOM 0 HG1 THR B 21 12.379 -19.279 -8.564 1.00 0.00 H new ATOM 0 HG21 THR B 21 12.445 -17.170 -7.453 1.00 0.00 H new ATOM 0 HG22 THR B 21 11.209 -16.870 -6.208 1.00 0.00 H new ATOM 0 HG23 THR B 21 12.515 -18.040 -5.902 1.00 0.00 H new ATOM 1280 N LEU B 22 9.768 -17.541 -4.636 1.00 0.00 N ATOM 1281 CA LEU B 22 9.004 -16.505 -3.974 1.00 0.00 C ATOM 1282 C LEU B 22 8.461 -15.516 -4.995 1.00 0.00 C ATOM 1283 O LEU B 22 7.613 -14.700 -4.673 1.00 0.00 O ATOM 1284 CB LEU B 22 9.850 -15.784 -2.920 1.00 0.00 C ATOM 1285 CG LEU B 22 10.296 -14.367 -3.282 1.00 0.00 C ATOM 1286 CD1 LEU B 22 10.840 -13.666 -2.052 1.00 0.00 C ATOM 1287 CD2 LEU B 22 11.327 -14.370 -4.398 1.00 0.00 C ATOM 0 H LEU B 22 10.751 -17.576 -4.365 1.00 0.00 H new ATOM 0 HA LEU B 22 8.164 -16.975 -3.463 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.280 -15.740 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU B 22 10.738 -16.384 -2.721 1.00 0.00 H new ATOM 0 HG LEU B 22 9.426 -13.822 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.156 -12.657 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.063 -13.614 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.693 -14.222 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.619 -13.345 -4.627 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.204 -14.935 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU B 22 10.899 -14.832 -5.288 1.00 0.00 H new ATOM 1299 N GLU B 23 8.969 -15.585 -6.223 1.00 0.00 N ATOM 1300 CA GLU B 23 8.542 -14.678 -7.288 1.00 0.00 C ATOM 1301 C GLU B 23 7.035 -14.440 -7.226 1.00 0.00 C ATOM 1302 O GLU B 23 6.543 -13.401 -7.676 1.00 0.00 O ATOM 1303 CB GLU B 23 8.923 -15.255 -8.652 1.00 0.00 C ATOM 1304 CG GLU B 23 8.587 -14.339 -9.818 1.00 0.00 C ATOM 1305 CD GLU B 23 8.974 -14.936 -11.157 1.00 0.00 C ATOM 1306 OE1 GLU B 23 8.454 -16.021 -11.496 1.00 0.00 O ATOM 1307 OE2 GLU B 23 9.793 -14.317 -11.868 1.00 0.00 O ATOM 0 H GLU B 23 9.678 -16.261 -6.507 1.00 0.00 H new ATOM 0 HA GLU B 23 9.048 -13.723 -7.148 1.00 0.00 H new ATOM 0 HB2 GLU B 23 9.993 -15.464 -8.662 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.411 -16.207 -8.790 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.518 -14.128 -9.814 1.00 0.00 H new ATOM 0 HG3 GLU B 23 9.100 -13.386 -9.687 1.00 0.00 H new ATOM 1314 N THR B 24 6.310 -15.394 -6.642 1.00 0.00 N ATOM 1315 CA THR B 24 4.870 -15.263 -6.489 1.00 0.00 C ATOM 1316 C THR B 24 4.538 -13.927 -5.838 1.00 0.00 C ATOM 1317 O THR B 24 3.589 -13.256 -6.235 1.00 0.00 O ATOM 1318 CB THR B 24 4.273 -16.399 -5.641 1.00 0.00 C ATOM 1319 OG1 THR B 24 4.510 -17.662 -6.275 1.00 0.00 O ATOM 1320 CG2 THR B 24 2.777 -16.194 -5.449 1.00 0.00 C ATOM 0 H THR B 24 6.699 -16.261 -6.270 1.00 0.00 H new ATOM 0 HA THR B 24 4.432 -15.319 -7.485 1.00 0.00 H new ATOM 0 HB THR B 24 4.756 -16.390 -4.664 1.00 0.00 H new ATOM 0 HG1 THR B 24 3.996 -18.359 -5.817 1.00 0.00 H new ATOM 0 HG21 THR B 24 2.373 -17.008 -4.847 1.00 0.00 H new ATOM 0 HG22 THR B 24 2.602 -15.245 -4.942 1.00 0.00 H new ATOM 0 HG23 THR B 24 2.284 -16.182 -6.421 1.00 0.00 H new ATOM 1328 N LEU B 25 5.340 -13.535 -4.848 1.00 0.00 N ATOM 1329 CA LEU B 25 5.131 -12.265 -4.181 1.00 0.00 C ATOM 1330 C LEU B 25 5.415 -11.122 -5.144 1.00 0.00 C ATOM 1331 O LEU B 25 4.659 -10.163 -5.224 1.00 0.00 O ATOM 1332 CB LEU B 25 5.969 -12.129 -2.897 1.00 0.00 C ATOM 1333 CG LEU B 25 7.421 -12.622 -2.928 1.00 0.00 C ATOM 1334 CD1 LEU B 25 8.271 -11.838 -3.916 1.00 0.00 C ATOM 1335 CD2 LEU B 25 8.019 -12.510 -1.536 1.00 0.00 C ATOM 0 H LEU B 25 6.130 -14.077 -4.498 1.00 0.00 H new ATOM 0 HA LEU B 25 4.087 -12.222 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU B 25 5.980 -11.076 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU B 25 5.451 -12.666 -2.102 1.00 0.00 H new ATOM 0 HG LEU B 25 7.414 -13.662 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU B 25 9.291 -12.222 -3.903 1.00 0.00 H new ATOM 0 HD12 LEU B 25 7.855 -11.944 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU B 25 8.277 -10.785 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU B 25 9.051 -12.860 -1.554 1.00 0.00 H new ATOM 0 HD22 LEU B 25 7.994 -11.470 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU B 25 7.441 -13.120 -0.842 1.00 0.00 H new ATOM 1347 N GLU B 26 6.485 -11.236 -5.910 1.00 0.00 N ATOM 1348 CA GLU B 26 6.799 -10.208 -6.876 1.00 0.00 C ATOM 1349 C GLU B 26 5.611 -10.060 -7.809 1.00 0.00 C ATOM 1350 O GLU B 26 5.386 -9.009 -8.399 1.00 0.00 O ATOM 1351 CB GLU B 26 8.085 -10.550 -7.636 1.00 0.00 C ATOM 1352 CG GLU B 26 8.398 -9.613 -8.797 1.00 0.00 C ATOM 1353 CD GLU B 26 7.605 -9.932 -10.051 1.00 0.00 C ATOM 1354 OE1 GLU B 26 6.888 -10.955 -10.062 1.00 0.00 O ATOM 1355 OE2 GLU B 26 7.713 -9.163 -11.029 1.00 0.00 O ATOM 0 H GLU B 26 7.139 -12.018 -5.881 1.00 0.00 H new ATOM 0 HA GLU B 26 6.982 -9.258 -6.374 1.00 0.00 H new ATOM 0 HB2 GLU B 26 8.921 -10.534 -6.937 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.007 -11.568 -8.017 1.00 0.00 H new ATOM 0 HG2 GLU B 26 8.190 -8.587 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU B 26 9.463 -9.669 -9.024 1.00 0.00 H new ATOM 1362 N GLU B 27 4.832 -11.134 -7.902 1.00 0.00 N ATOM 1363 CA GLU B 27 3.638 -11.143 -8.730 1.00 0.00 C ATOM 1364 C GLU B 27 2.448 -10.533 -7.989 1.00 0.00 C ATOM 1365 O GLU B 27 1.834 -9.580 -8.460 1.00 0.00 O ATOM 1366 CB GLU B 27 3.309 -12.575 -9.158 1.00 0.00 C ATOM 1367 CG GLU B 27 1.895 -12.743 -9.689 1.00 0.00 C ATOM 1368 CD GLU B 27 1.624 -14.146 -10.196 1.00 0.00 C ATOM 1369 OE1 GLU B 27 2.329 -14.587 -11.128 1.00 0.00 O ATOM 1370 OE2 GLU B 27 0.708 -14.805 -9.661 1.00 0.00 O ATOM 0 H GLU B 27 5.010 -12.010 -7.411 1.00 0.00 H new ATOM 0 HA GLU B 27 3.834 -10.537 -9.615 1.00 0.00 H new ATOM 0 HB2 GLU B 27 4.016 -12.887 -9.927 1.00 0.00 H new ATOM 0 HB3 GLU B 27 3.450 -13.241 -8.307 1.00 0.00 H new ATOM 0 HG2 GLU B 27 1.184 -12.503 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU B 27 1.727 -12.030 -10.497 1.00 0.00 H new ATOM 1377 N MET B 28 2.122 -11.111 -6.836 1.00 0.00 N ATOM 1378 CA MET B 28 0.995 -10.650 -6.030 1.00 0.00 C ATOM 1379 C MET B 28 1.395 -9.571 -5.022 1.00 0.00 C ATOM 1380 O MET B 28 0.694 -8.575 -4.855 1.00 0.00 O ATOM 1381 CB MET B 28 0.362 -11.834 -5.298 1.00 0.00 C ATOM 1382 CG MET B 28 -0.106 -12.939 -6.231 1.00 0.00 C ATOM 1383 SD MET B 28 -0.817 -14.342 -5.350 1.00 0.00 S ATOM 1384 CE MET B 28 -1.203 -15.435 -6.716 1.00 0.00 C ATOM 0 H MET B 28 2.625 -11.904 -6.437 1.00 0.00 H new ATOM 0 HA MET B 28 0.273 -10.202 -6.713 1.00 0.00 H new ATOM 0 HB2 MET B 28 1.085 -12.245 -4.594 1.00 0.00 H new ATOM 0 HB3 MET B 28 -0.486 -11.479 -4.713 1.00 0.00 H new ATOM 0 HG2 MET B 28 -0.847 -12.536 -6.921 1.00 0.00 H new ATOM 0 HG3 MET B 28 0.736 -13.282 -6.832 1.00 0.00 H new ATOM 0 HE1 MET B 28 -1.552 -16.392 -6.329 1.00 0.00 H new ATOM 0 HE2 MET B 28 -1.983 -14.986 -7.332 1.00 0.00 H new ATOM 0 HE3 MET B 28 -0.309 -15.592 -7.320 1.00 0.00 H new ATOM 1394 N LEU B 29 2.519 -9.787 -4.346 1.00 0.00 N ATOM 1395 CA LEU B 29 3.012 -8.841 -3.341 1.00 0.00 C ATOM 1396 C LEU B 29 3.318 -7.481 -3.973 1.00 0.00 C ATOM 1397 O LEU B 29 3.212 -6.446 -3.318 1.00 0.00 O ATOM 1398 CB LEU B 29 4.241 -9.434 -2.623 1.00 0.00 C ATOM 1399 CG LEU B 29 4.993 -8.502 -1.669 1.00 0.00 C ATOM 1400 CD1 LEU B 29 4.101 -8.080 -0.523 1.00 0.00 C ATOM 1401 CD2 LEU B 29 6.233 -9.199 -1.127 1.00 0.00 C ATOM 0 H LEU B 29 3.109 -10.609 -4.474 1.00 0.00 H new ATOM 0 HA LEU B 29 2.234 -8.674 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU B 29 3.917 -10.309 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU B 29 4.942 -9.784 -3.381 1.00 0.00 H new ATOM 0 HG LEU B 29 5.294 -7.613 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.654 -7.418 0.144 1.00 0.00 H new ATOM 0 HD12 LEU B 29 3.229 -7.555 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU B 29 3.776 -8.962 0.029 1.00 0.00 H new ATOM 0 HD21 LEU B 29 6.761 -8.528 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU B 29 5.938 -10.100 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU B 29 6.889 -9.469 -1.954 1.00 0.00 H new ATOM 1413 N GLU B 30 3.671 -7.486 -5.256 1.00 0.00 N ATOM 1414 CA GLU B 30 3.962 -6.246 -5.974 1.00 0.00 C ATOM 1415 C GLU B 30 2.678 -5.474 -6.271 1.00 0.00 C ATOM 1416 O GLU B 30 2.682 -4.247 -6.356 1.00 0.00 O ATOM 1417 CB GLU B 30 4.696 -6.535 -7.285 1.00 0.00 C ATOM 1418 CG GLU B 30 4.919 -5.298 -8.143 1.00 0.00 C ATOM 1419 CD GLU B 30 5.667 -5.599 -9.428 1.00 0.00 C ATOM 1420 OE1 GLU B 30 6.018 -6.777 -9.650 1.00 0.00 O ATOM 1421 OE2 GLU B 30 5.903 -4.655 -10.210 1.00 0.00 O ATOM 0 H GLU B 30 3.763 -8.332 -5.819 1.00 0.00 H new ATOM 0 HA GLU B 30 4.602 -5.639 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU B 30 5.661 -6.989 -7.059 1.00 0.00 H new ATOM 0 HB3 GLU B 30 4.126 -7.266 -7.858 1.00 0.00 H new ATOM 0 HG2 GLU B 30 3.955 -4.851 -8.386 1.00 0.00 H new ATOM 0 HG3 GLU B 30 5.477 -4.559 -7.568 1.00 0.00 H new ATOM 1428 N LYS B 31 1.581 -6.199 -6.432 1.00 0.00 N ATOM 1429 CA LYS B 31 0.293 -5.579 -6.719 1.00 0.00 C ATOM 1430 C LYS B 31 -0.380 -5.196 -5.419 1.00 0.00 C ATOM 1431 O LYS B 31 -1.097 -4.200 -5.326 1.00 0.00 O ATOM 1432 CB LYS B 31 -0.583 -6.532 -7.521 1.00 0.00 C ATOM 1433 CG LYS B 31 0.196 -7.280 -8.584 1.00 0.00 C ATOM 1434 CD LYS B 31 0.913 -6.331 -9.532 1.00 0.00 C ATOM 1435 CE LYS B 31 1.810 -7.086 -10.500 1.00 0.00 C ATOM 1436 NZ LYS B 31 1.041 -8.040 -11.345 1.00 0.00 N ATOM 0 H LYS B 31 1.555 -7.217 -6.369 1.00 0.00 H new ATOM 0 HA LYS B 31 0.447 -4.680 -7.315 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -1.049 -7.249 -6.845 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -1.388 -5.970 -7.993 1.00 0.00 H new ATOM 0 HG2 LYS B 31 0.924 -7.936 -8.107 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -0.483 -7.917 -9.152 1.00 0.00 H new ATOM 0 HD2 LYS B 31 0.180 -5.750 -10.091 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.510 -5.623 -8.958 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.332 -6.375 -11.140 1.00 0.00 H new ATOM 0 HE3 LYS B 31 2.571 -7.630 -9.940 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 1.664 -8.433 -12.079 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 0.675 -8.812 -10.752 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 0.246 -7.542 -11.795 1.00 0.00 H new ATOM 1450 N LEU B 32 -0.115 -6.001 -4.409 1.00 0.00 N ATOM 1451 CA LEU B 32 -0.651 -5.767 -3.090 1.00 0.00 C ATOM 1452 C LEU B 32 -0.106 -4.457 -2.542 1.00 0.00 C ATOM 1453 O LEU B 32 -0.726 -3.811 -1.701 1.00 0.00 O ATOM 1454 CB LEU B 32 -0.287 -6.919 -2.176 1.00 0.00 C ATOM 1455 CG LEU B 32 -0.877 -6.817 -0.773 1.00 0.00 C ATOM 1456 CD1 LEU B 32 -2.394 -6.737 -0.845 1.00 0.00 C ATOM 1457 CD2 LEU B 32 -0.441 -8.000 0.062 1.00 0.00 C ATOM 0 H LEU B 32 0.475 -6.830 -4.482 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.737 -5.698 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.623 -7.850 -2.632 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.799 -6.977 -2.098 1.00 0.00 H new ATOM 0 HG LEU B 32 -0.509 -5.907 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.803 -6.665 0.163 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.685 -5.857 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.783 -7.632 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -0.868 -7.917 1.061 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.787 -8.922 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.647 -8.015 0.132 1.00 0.00 H new ATOM 1469 N GLU B 33 1.062 -4.059 -3.039 1.00 0.00 N ATOM 1470 CA GLU B 33 1.669 -2.805 -2.607 1.00 0.00 C ATOM 1471 C GLU B 33 1.110 -1.658 -3.432 1.00 0.00 C ATOM 1472 O GLU B 33 0.858 -0.572 -2.907 1.00 0.00 O ATOM 1473 CB GLU B 33 3.197 -2.844 -2.711 1.00 0.00 C ATOM 1474 CG GLU B 33 3.722 -2.922 -4.138 1.00 0.00 C ATOM 1475 CD GLU B 33 5.223 -2.737 -4.229 1.00 0.00 C ATOM 1476 OE1 GLU B 33 5.725 -1.708 -3.729 1.00 0.00 O ATOM 1477 OE2 GLU B 33 5.896 -3.614 -4.807 1.00 0.00 O ATOM 0 H GLU B 33 1.601 -4.579 -3.732 1.00 0.00 H new ATOM 0 HA GLU B 33 1.422 -2.654 -1.556 1.00 0.00 H new ATOM 0 HB2 GLU B 33 3.606 -1.954 -2.233 1.00 0.00 H new ATOM 0 HB3 GLU B 33 3.567 -3.704 -2.152 1.00 0.00 H new ATOM 0 HG2 GLU B 33 3.454 -3.888 -4.565 1.00 0.00 H new ATOM 0 HG3 GLU B 33 3.230 -2.159 -4.742 1.00 0.00 H new ATOM 1484 N VAL B 34 0.902 -1.905 -4.727 1.00 0.00 N ATOM 1485 CA VAL B 34 0.354 -0.884 -5.604 1.00 0.00 C ATOM 1486 C VAL B 34 -1.073 -0.559 -5.190 1.00 0.00 C ATOM 1487 O VAL B 34 -1.503 0.594 -5.287 1.00 0.00 O ATOM 1488 CB VAL B 34 0.386 -1.281 -7.097 1.00 0.00 C ATOM 1489 CG1 VAL B 34 1.793 -1.676 -7.517 1.00 0.00 C ATOM 1490 CG2 VAL B 34 -0.605 -2.393 -7.397 1.00 0.00 C ATOM 0 H VAL B 34 1.104 -2.795 -5.182 1.00 0.00 H new ATOM 0 HA VAL B 34 0.990 -0.006 -5.497 1.00 0.00 H new ATOM 0 HB VAL B 34 0.087 -0.410 -7.681 1.00 0.00 H new ATOM 0 HG11 VAL B 34 1.794 -1.952 -8.571 1.00 0.00 H new ATOM 0 HG12 VAL B 34 2.469 -0.835 -7.361 1.00 0.00 H new ATOM 0 HG13 VAL B 34 2.126 -2.525 -6.920 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -0.556 -2.648 -8.456 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -0.358 -3.271 -6.801 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -1.613 -2.059 -7.150 1.00 0.00 H new ATOM 1500 N VAL B 35 -1.805 -1.568 -4.699 1.00 0.00 N ATOM 1501 CA VAL B 35 -3.171 -1.327 -4.247 1.00 0.00 C ATOM 1502 C VAL B 35 -3.138 -0.242 -3.189 1.00 0.00 C ATOM 1503 O VAL B 35 -3.917 0.704 -3.227 1.00 0.00 O ATOM 1504 CB VAL B 35 -3.872 -2.578 -3.658 1.00 0.00 C ATOM 1505 CG1 VAL B 35 -4.009 -3.682 -4.689 1.00 0.00 C ATOM 1506 CG2 VAL B 35 -3.147 -3.095 -2.430 1.00 0.00 C ATOM 0 H VAL B 35 -1.481 -2.531 -4.608 1.00 0.00 H new ATOM 0 HA VAL B 35 -3.749 -1.034 -5.124 1.00 0.00 H new ATOM 0 HB VAL B 35 -4.873 -2.266 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -4.505 -4.541 -4.238 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -4.600 -3.322 -5.531 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -3.020 -3.977 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -3.666 -3.972 -2.044 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -2.126 -3.366 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -3.128 -2.319 -1.665 1.00 0.00 H new ATOM 1516 N VAL B 36 -2.198 -0.368 -2.258 1.00 0.00 N ATOM 1517 CA VAL B 36 -2.047 0.627 -1.211 1.00 0.00 C ATOM 1518 C VAL B 36 -1.212 1.799 -1.696 1.00 0.00 C ATOM 1519 O VAL B 36 -1.277 2.883 -1.145 1.00 0.00 O ATOM 1520 CB VAL B 36 -1.444 0.066 0.088 1.00 0.00 C ATOM 1521 CG1 VAL B 36 -2.485 0.110 1.197 1.00 0.00 C ATOM 1522 CG2 VAL B 36 -0.880 -1.334 -0.106 1.00 0.00 C ATOM 0 H VAL B 36 -1.537 -1.143 -2.210 1.00 0.00 H new ATOM 0 HA VAL B 36 -3.057 0.962 -0.975 1.00 0.00 H new ATOM 0 HB VAL B 36 -0.602 0.694 0.378 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -2.055 -0.288 2.116 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -2.799 1.141 1.360 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -3.348 -0.491 0.910 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -0.464 -1.692 0.836 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -1.675 -2.005 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -0.096 -1.309 -0.863 1.00 0.00 H new ATOM 1532 N ASN B 37 -0.435 1.594 -2.741 1.00 0.00 N ATOM 1533 CA ASN B 37 0.374 2.675 -3.277 1.00 0.00 C ATOM 1534 C ASN B 37 -0.541 3.826 -3.651 1.00 0.00 C ATOM 1535 O ASN B 37 -0.200 4.998 -3.480 1.00 0.00 O ATOM 1536 CB ASN B 37 1.162 2.195 -4.496 1.00 0.00 C ATOM 1537 CG ASN B 37 2.135 3.232 -5.020 1.00 0.00 C ATOM 1538 OD1 ASN B 37 1.754 4.358 -5.341 1.00 0.00 O ATOM 1539 ND2 ASN B 37 3.402 2.849 -5.117 1.00 0.00 N ATOM 0 H ASN B 37 -0.345 0.704 -3.231 1.00 0.00 H new ATOM 0 HA ASN B 37 1.091 3.008 -2.526 1.00 0.00 H new ATOM 0 HB2 ASN B 37 1.711 1.290 -4.234 1.00 0.00 H new ATOM 0 HB3 ASN B 37 0.465 1.926 -5.289 1.00 0.00 H new ATOM 0 HD21 ASN B 37 4.105 3.498 -5.469 1.00 0.00 H new ATOM 0 HD22 ASN B 37 3.672 1.906 -4.839 1.00 0.00 H new ATOM 1546 N GLU B 38 -1.723 3.469 -4.139 1.00 0.00 N ATOM 1547 CA GLU B 38 -2.724 4.452 -4.526 1.00 0.00 C ATOM 1548 C GLU B 38 -3.494 4.946 -3.307 1.00 0.00 C ATOM 1549 O GLU B 38 -3.806 6.131 -3.198 1.00 0.00 O ATOM 1550 CB GLU B 38 -3.695 3.852 -5.540 1.00 0.00 C ATOM 1551 CG GLU B 38 -3.027 3.379 -6.820 1.00 0.00 C ATOM 1552 CD GLU B 38 -4.013 2.788 -7.808 1.00 0.00 C ATOM 1553 OE1 GLU B 38 -4.939 3.512 -8.229 1.00 0.00 O ATOM 1554 OE2 GLU B 38 -3.858 1.600 -8.162 1.00 0.00 O ATOM 0 H GLU B 38 -2.011 2.500 -4.276 1.00 0.00 H new ATOM 0 HA GLU B 38 -2.209 5.297 -4.982 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -4.214 3.011 -5.079 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -4.452 4.596 -5.789 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -2.509 4.217 -7.286 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -2.271 2.633 -6.576 1.00 0.00 H new ATOM 1561 N ARG B 39 -3.811 4.028 -2.398 1.00 0.00 N ATOM 1562 CA ARG B 39 -4.555 4.374 -1.192 1.00 0.00 C ATOM 1563 C ARG B 39 -3.664 5.049 -0.154 1.00 0.00 C ATOM 1564 O ARG B 39 -4.006 6.097 0.380 1.00 0.00 O ATOM 1565 CB ARG B 39 -5.215 3.138 -0.578 1.00 0.00 C ATOM 1566 CG ARG B 39 -6.408 2.610 -1.344 1.00 0.00 C ATOM 1567 CD ARG B 39 -6.100 2.358 -2.805 1.00 0.00 C ATOM 1568 NE ARG B 39 -7.306 2.101 -3.589 1.00 0.00 N ATOM 1569 CZ ARG B 39 -8.252 3.011 -3.806 1.00 0.00 C ATOM 1570 NH1 ARG B 39 -8.115 4.242 -3.332 1.00 0.00 N ATOM 1571 NH2 ARG B 39 -9.332 2.692 -4.507 1.00 0.00 N ATOM 0 H ARG B 39 -3.565 3.041 -2.474 1.00 0.00 H new ATOM 0 HA ARG B 39 -5.331 5.079 -1.490 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -4.470 2.346 -0.502 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -5.530 3.378 0.437 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -6.749 1.683 -0.884 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -7.228 3.324 -1.268 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -5.578 3.221 -3.218 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -5.425 1.506 -2.890 1.00 0.00 H new ATOM 0 HE ARG B 39 -7.429 1.172 -3.992 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -7.282 4.494 -2.799 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -8.842 4.937 -3.500 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -9.438 1.749 -4.880 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -10.057 3.390 -4.673 1.00 0.00 H new ATOM 1585 N ARG B 40 -2.520 4.451 0.136 1.00 0.00 N ATOM 1586 CA ARG B 40 -1.606 5.031 1.116 1.00 0.00 C ATOM 1587 C ARG B 40 -1.476 6.528 0.869 1.00 0.00 C ATOM 1588 O ARG B 40 -1.421 7.319 1.808 1.00 0.00 O ATOM 1589 CB ARG B 40 -0.220 4.371 1.073 1.00 0.00 C ATOM 1590 CG ARG B 40 -0.202 2.914 1.521 1.00 0.00 C ATOM 1591 CD ARG B 40 -0.875 2.727 2.875 1.00 0.00 C ATOM 1592 NE ARG B 40 -0.295 3.585 3.904 1.00 0.00 N ATOM 1593 CZ ARG B 40 -0.685 3.575 5.176 1.00 0.00 C ATOM 1594 NH1 ARG B 40 -1.649 2.755 5.572 1.00 0.00 N ATOM 1595 NH2 ARG B 40 -0.109 4.386 6.052 1.00 0.00 N ATOM 0 H ARG B 40 -2.202 3.577 -0.284 1.00 0.00 H new ATOM 0 HA ARG B 40 -2.022 4.851 2.107 1.00 0.00 H new ATOM 0 HB2 ARG B 40 0.166 4.430 0.055 1.00 0.00 H new ATOM 0 HB3 ARG B 40 0.460 4.941 1.705 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -0.708 2.299 0.776 1.00 0.00 H new ATOM 0 HG3 ARG B 40 0.829 2.564 1.577 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -1.939 2.943 2.782 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -0.787 1.685 3.182 1.00 0.00 H new ATOM 0 HE ARG B 40 0.450 4.227 3.633 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -2.094 2.129 4.901 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -1.945 2.750 6.548 1.00 0.00 H new ATOM 0 HH21 ARG B 40 0.633 5.018 5.751 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -0.408 4.378 7.027 1.00 0.00 H new ATOM 1609 N GLU B 41 -1.435 6.908 -0.406 1.00 0.00 N ATOM 1610 CA GLU B 41 -1.320 8.318 -0.770 1.00 0.00 C ATOM 1611 C GLU B 41 -2.687 9.018 -0.833 1.00 0.00 C ATOM 1612 O GLU B 41 -2.839 10.135 -0.337 1.00 0.00 O ATOM 1613 CB GLU B 41 -0.598 8.467 -2.113 1.00 0.00 C ATOM 1614 CG GLU B 41 -1.321 7.810 -3.276 1.00 0.00 C ATOM 1615 CD GLU B 41 -0.608 8.018 -4.598 1.00 0.00 C ATOM 1616 OE1 GLU B 41 -0.429 9.188 -4.996 1.00 0.00 O ATOM 1617 OE2 GLU B 41 -0.229 7.012 -5.234 1.00 0.00 O ATOM 0 H GLU B 41 -1.479 6.266 -1.198 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.737 8.802 0.014 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -0.470 9.527 -2.330 1.00 0.00 H new ATOM 0 HB3 GLU B 41 0.400 8.036 -2.028 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -1.416 6.741 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -2.332 8.213 -3.345 1.00 0.00 H new ATOM 1624 N GLU B 42 -3.671 8.373 -1.463 1.00 0.00 N ATOM 1625 CA GLU B 42 -5.008 8.957 -1.609 1.00 0.00 C ATOM 1626 C GLU B 42 -5.915 8.635 -0.424 1.00 0.00 C ATOM 1627 O GLU B 42 -6.598 9.511 0.108 1.00 0.00 O ATOM 1628 CB GLU B 42 -5.657 8.467 -2.905 1.00 0.00 C ATOM 1629 CG GLU B 42 -7.033 9.058 -3.161 1.00 0.00 C ATOM 1630 CD GLU B 42 -7.649 8.564 -4.455 1.00 0.00 C ATOM 1631 OE1 GLU B 42 -7.842 7.336 -4.590 1.00 0.00 O ATOM 1632 OE2 GLU B 42 -7.936 9.402 -5.334 1.00 0.00 O ATOM 0 H GLU B 42 -3.569 7.448 -1.880 1.00 0.00 H new ATOM 0 HA GLU B 42 -4.884 10.039 -1.642 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.004 8.712 -3.743 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.738 7.381 -2.872 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.692 8.807 -2.330 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.958 10.145 -3.191 1.00 0.00 H new ATOM 1639 N GLU B 43 -5.931 7.374 -0.023 1.00 0.00 N ATOM 1640 CA GLU B 43 -6.761 6.933 1.091 1.00 0.00 C ATOM 1641 C GLU B 43 -6.377 7.649 2.377 1.00 0.00 C ATOM 1642 O GLU B 43 -7.245 8.146 3.097 1.00 0.00 O ATOM 1643 CB GLU B 43 -6.663 5.423 1.259 1.00 0.00 C ATOM 1644 CG GLU B 43 -7.383 4.891 2.483 1.00 0.00 C ATOM 1645 CD GLU B 43 -8.691 5.606 2.772 1.00 0.00 C ATOM 1646 OE1 GLU B 43 -9.566 5.629 1.886 1.00 0.00 O ATOM 1647 OE2 GLU B 43 -8.837 6.142 3.890 1.00 0.00 O ATOM 0 H GLU B 43 -5.377 6.634 -0.453 1.00 0.00 H new ATOM 0 HA GLU B 43 -7.797 7.188 0.867 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -7.073 4.942 0.371 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.612 5.142 1.318 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.581 3.828 2.345 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -6.728 4.983 3.349 1.00 0.00 H new ATOM 1654 N SER B 44 -5.077 7.733 2.653 1.00 0.00 N ATOM 1655 CA SER B 44 -4.616 8.433 3.844 1.00 0.00 C ATOM 1656 C SER B 44 -5.180 9.842 3.806 1.00 0.00 C ATOM 1657 O SER B 44 -5.557 10.415 4.829 1.00 0.00 O ATOM 1658 CB SER B 44 -3.087 8.471 3.899 1.00 0.00 C ATOM 1659 OG SER B 44 -2.635 9.150 5.058 1.00 0.00 O ATOM 0 H SER B 44 -4.337 7.331 2.077 1.00 0.00 H new ATOM 0 HA SER B 44 -4.960 7.911 4.737 1.00 0.00 H new ATOM 0 HB2 SER B 44 -2.694 7.454 3.893 1.00 0.00 H new ATOM 0 HB3 SER B 44 -2.700 8.967 3.009 1.00 0.00 H new ATOM 0 HG SER B 44 -1.655 9.159 5.070 1.00 0.00 H new ATOM 1665 N ALA B 45 -5.260 10.369 2.588 1.00 0.00 N ATOM 1666 CA ALA B 45 -5.808 11.689 2.346 1.00 0.00 C ATOM 1667 C ALA B 45 -7.291 11.702 2.695 1.00 0.00 C ATOM 1668 O ALA B 45 -7.791 12.647 3.307 1.00 0.00 O ATOM 1669 CB ALA B 45 -5.595 12.072 0.890 1.00 0.00 C ATOM 0 H ALA B 45 -4.945 9.889 1.745 1.00 0.00 H new ATOM 0 HA ALA B 45 -5.298 12.418 2.976 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.008 13.065 0.711 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -4.528 12.077 0.667 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -6.096 11.349 0.247 1.00 0.00 H new ATOM 1675 N ALA B 46 -7.986 10.632 2.309 1.00 0.00 N ATOM 1676 CA ALA B 46 -9.409 10.495 2.587 1.00 0.00 C ATOM 1677 C ALA B 46 -9.658 10.524 4.088 1.00 0.00 C ATOM 1678 O ALA B 46 -10.609 11.148 4.560 1.00 0.00 O ATOM 1679 CB ALA B 46 -9.941 9.200 1.989 1.00 0.00 C ATOM 0 H ALA B 46 -7.581 9.846 1.801 1.00 0.00 H new ATOM 0 HA ALA B 46 -9.936 11.332 2.130 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -11.006 9.110 2.204 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.788 9.208 0.910 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -9.410 8.353 2.424 1.00 0.00 H new