USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=18 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: A 5 LYS NZ :NH3+ 146:sc= -0.834 (180deg=-0.212) USER MOD Set 1.2: A 8 ASN : amide:sc= -2.12 K(o=-3,f=-4.5!) USER MOD Single : A 9 ASN : amide:sc= -5.55! C(o=-5.5!,f=-5.5!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.671 F(o=-4.3!,f=-0.67) USER MOD Single : A 20 SER OG : rot 180:sc= -0.295 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 140:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -132:sc= 0.728 (180deg=-0.0176) USER MOD Single : A 37 ASN : amide:sc= -2.59! C(o=-2.6!,f=-3!) USER MOD Single : A 44 SER OG : rot -102:sc= 1.21 USER MOD Single : B 5 LYS NZ :NH3+ 168:sc= -0.0295 (180deg=-0.215) USER MOD Single : B 8 ASN :FLIP amide:sc= -0.639 F(o=-3!,f=-0.64) USER MOD Single : B 9 ASN :FLIP amide:sc= -0.626 F(o=-5!,f=-0.63) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN :FLIP amide:sc= -1.43 F(o=-5.4!,f=-1.4) USER MOD Single : B 20 SER OG : rot -23:sc= 1.26 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -120:sc= -0.118 USER MOD Single : B 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -151:sc= 1.29 (180deg=0.456) USER MOD Single : B 37 ASN : amide:sc= -0.055 X(o=-0.055,f=-0.54) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 2 5.143 3.712 2.775 1.00 0.00 N ATOM 13 CA GLU A 2 4.981 2.584 3.683 1.00 0.00 C ATOM 14 C GLU A 2 4.558 1.334 2.921 1.00 0.00 C ATOM 15 O GLU A 2 4.870 0.222 3.325 1.00 0.00 O ATOM 16 CB GLU A 2 3.954 2.911 4.769 1.00 0.00 C ATOM 17 CG GLU A 2 3.749 1.787 5.773 1.00 0.00 C ATOM 18 CD GLU A 2 2.726 2.136 6.837 1.00 0.00 C ATOM 19 OE1 GLU A 2 2.944 3.123 7.569 1.00 0.00 O ATOM 20 OE2 GLU A 2 1.707 1.420 6.937 1.00 0.00 O ATOM 0 HA GLU A 2 5.943 2.392 4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.273 3.808 5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.000 3.143 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.428 0.888 5.246 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.700 1.554 6.251 1.00 0.00 H new ATOM 27 N ALA A 3 3.850 1.529 1.812 1.00 0.00 N ATOM 28 CA ALA A 3 3.384 0.418 0.981 1.00 0.00 C ATOM 29 C ALA A 3 4.530 -0.146 0.162 1.00 0.00 C ATOM 30 O ALA A 3 4.529 -1.308 -0.242 1.00 0.00 O ATOM 31 CB ALA A 3 2.265 0.880 0.065 1.00 0.00 C ATOM 0 H ALA A 3 3.584 2.451 1.465 1.00 0.00 H new ATOM 0 HA ALA A 3 3.002 -0.367 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.928 0.044 -0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.433 1.249 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.630 1.679 -0.581 1.00 0.00 H new ATOM 37 N LEU A 4 5.495 0.709 -0.082 1.00 0.00 N ATOM 38 CA LEU A 4 6.670 0.369 -0.845 1.00 0.00 C ATOM 39 C LEU A 4 7.702 -0.273 0.075 1.00 0.00 C ATOM 40 O LEU A 4 8.374 -1.238 -0.284 1.00 0.00 O ATOM 41 CB LEU A 4 7.210 1.652 -1.474 1.00 0.00 C ATOM 42 CG LEU A 4 6.314 2.307 -2.544 1.00 0.00 C ATOM 43 CD1 LEU A 4 4.837 1.971 -2.350 1.00 0.00 C ATOM 44 CD2 LEU A 4 6.511 3.812 -2.532 1.00 0.00 C ATOM 0 H LEU A 4 5.485 1.674 0.249 1.00 0.00 H new ATOM 0 HA LEU A 4 6.434 -0.346 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.384 2.378 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.179 1.433 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 4 6.613 1.903 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.248 2.456 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.699 0.891 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.509 2.325 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.875 4.268 -3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.246 4.206 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.554 4.044 -2.746 1.00 0.00 H new ATOM 56 N LYS A 5 7.806 0.290 1.274 1.00 0.00 N ATOM 57 CA LYS A 5 8.733 -0.182 2.291 1.00 0.00 C ATOM 58 C LYS A 5 8.147 -1.341 3.095 1.00 0.00 C ATOM 59 O LYS A 5 8.886 -2.117 3.701 1.00 0.00 O ATOM 60 CB LYS A 5 9.106 0.966 3.228 1.00 0.00 C ATOM 61 CG LYS A 5 10.127 0.573 4.279 1.00 0.00 C ATOM 62 CD LYS A 5 11.313 -0.135 3.652 1.00 0.00 C ATOM 63 CE LYS A 5 12.373 -0.472 4.689 1.00 0.00 C ATOM 64 NZ LYS A 5 11.836 -1.343 5.770 1.00 0.00 N ATOM 0 H LYS A 5 7.246 1.090 1.567 1.00 0.00 H new ATOM 0 HA LYS A 5 9.627 -0.547 1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.501 1.793 2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.206 1.329 3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.469 1.462 4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.660 -0.078 5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.976 -1.050 3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.748 0.497 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.211 -0.972 4.203 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.761 0.449 5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.580 -1.993 6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.521 -0.753 6.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.031 -1.892 5.406 1.00 0.00 H new ATOM 78 N ILE A 6 6.820 -1.459 3.098 1.00 0.00 N ATOM 79 CA ILE A 6 6.158 -2.529 3.826 1.00 0.00 C ATOM 80 C ILE A 6 6.709 -3.857 3.363 1.00 0.00 C ATOM 81 O ILE A 6 7.100 -4.710 4.157 1.00 0.00 O ATOM 82 CB ILE A 6 4.624 -2.505 3.606 1.00 0.00 C ATOM 83 CG1 ILE A 6 3.954 -3.611 4.416 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.288 -2.645 2.131 1.00 0.00 C ATOM 85 CD1 ILE A 6 3.976 -4.973 3.753 1.00 0.00 C ATOM 0 H ILE A 6 6.188 -0.827 2.605 1.00 0.00 H new ATOM 0 HA ILE A 6 6.348 -2.386 4.890 1.00 0.00 H new ATOM 0 HB ILE A 6 4.243 -1.543 3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.447 -3.684 5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.918 -3.329 4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.206 -2.626 2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.735 -1.820 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.682 -3.590 1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.479 -5.699 4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.456 -4.920 2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.009 -5.281 3.588 1.00 0.00 H new ATOM 97 N LEU A 7 6.740 -3.997 2.058 1.00 0.00 N ATOM 98 CA LEU A 7 7.243 -5.186 1.417 1.00 0.00 C ATOM 99 C LEU A 7 8.677 -4.938 0.971 1.00 0.00 C ATOM 100 O LEU A 7 9.394 -5.858 0.578 1.00 0.00 O ATOM 101 CB LEU A 7 6.337 -5.555 0.233 1.00 0.00 C ATOM 102 CG LEU A 7 6.887 -5.248 -1.165 1.00 0.00 C ATOM 103 CD1 LEU A 7 7.727 -6.407 -1.683 1.00 0.00 C ATOM 104 CD2 LEU A 7 5.751 -4.948 -2.123 1.00 0.00 C ATOM 0 H LEU A 7 6.414 -3.282 1.408 1.00 0.00 H new ATOM 0 HA LEU A 7 7.239 -6.025 2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.119 -6.622 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.389 -5.030 0.351 1.00 0.00 H new ATOM 0 HG LEU A 7 7.527 -4.369 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.106 -6.166 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.564 -6.580 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.113 -7.306 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.156 -4.732 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.088 -5.811 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.191 -4.085 -1.764 1.00 0.00 H new ATOM 116 N ASN A 8 9.080 -3.667 1.043 1.00 0.00 N ATOM 117 CA ASN A 8 10.425 -3.256 0.649 1.00 0.00 C ATOM 118 C ASN A 8 10.642 -3.477 -0.844 1.00 0.00 C ATOM 119 O ASN A 8 11.760 -3.751 -1.283 1.00 0.00 O ATOM 120 CB ASN A 8 11.482 -4.035 1.442 1.00 0.00 C ATOM 121 CG ASN A 8 11.321 -3.881 2.940 1.00 0.00 C ATOM 122 OD1 ASN A 8 10.296 -4.258 3.510 1.00 0.00 O ATOM 123 ND2 ASN A 8 12.336 -3.323 3.588 1.00 0.00 N ATOM 0 H ASN A 8 8.489 -2.904 1.372 1.00 0.00 H new ATOM 0 HA ASN A 8 10.527 -2.193 0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.420 -5.091 1.181 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.475 -3.692 1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.286 -3.192 4.598 1.00 0.00 H new ATOM 0 HD22 ASN A 8 13.166 -3.025 3.076 1.00 0.00 H new ATOM 130 N ASN A 9 9.564 -3.349 -1.617 1.00 0.00 N ATOM 131 CA ASN A 9 9.617 -3.530 -3.063 1.00 0.00 C ATOM 132 C ASN A 9 10.091 -4.940 -3.425 1.00 0.00 C ATOM 133 O ASN A 9 11.140 -5.395 -2.965 1.00 0.00 O ATOM 134 CB ASN A 9 10.535 -2.486 -3.700 1.00 0.00 C ATOM 135 CG ASN A 9 10.069 -1.053 -3.484 1.00 0.00 C ATOM 136 OD1 ASN A 9 10.709 -0.111 -3.951 1.00 0.00 O ATOM 137 ND2 ASN A 9 8.954 -0.869 -2.776 1.00 0.00 N ATOM 0 H ASN A 9 8.637 -3.119 -1.260 1.00 0.00 H new ATOM 0 HA ASN A 9 8.608 -3.398 -3.454 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.539 -2.599 -3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.604 -2.680 -4.770 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.607 0.075 -2.607 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.448 -1.672 -2.403 1.00 0.00 H new ATOM 144 N ILE A 10 9.311 -5.628 -4.252 1.00 0.00 N ATOM 145 CA ILE A 10 9.641 -6.986 -4.678 1.00 0.00 C ATOM 146 C ILE A 10 11.024 -7.053 -5.325 1.00 0.00 C ATOM 147 O ILE A 10 11.675 -8.094 -5.299 1.00 0.00 O ATOM 148 CB ILE A 10 8.597 -7.558 -5.657 1.00 0.00 C ATOM 149 CG1 ILE A 10 8.509 -6.713 -6.936 1.00 0.00 C ATOM 150 CG2 ILE A 10 7.239 -7.659 -4.975 1.00 0.00 C ATOM 151 CD1 ILE A 10 7.901 -5.340 -6.738 1.00 0.00 C ATOM 0 H ILE A 10 8.441 -5.266 -4.643 1.00 0.00 H new ATOM 0 HA ILE A 10 9.639 -7.593 -3.773 1.00 0.00 H new ATOM 0 HB ILE A 10 8.915 -8.559 -5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.511 -6.597 -7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.919 -7.255 -7.675 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.509 -8.064 -5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.315 -8.317 -4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.920 -6.668 -4.651 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.877 -4.812 -7.691 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.886 -5.443 -6.355 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.502 -4.775 -6.025 1.00 0.00 H new ATOM 163 N ARG A 11 11.467 -5.943 -5.908 1.00 0.00 N ATOM 164 CA ARG A 11 12.774 -5.895 -6.556 1.00 0.00 C ATOM 165 C ARG A 11 13.895 -6.154 -5.548 1.00 0.00 C ATOM 166 O ARG A 11 14.729 -7.041 -5.742 1.00 0.00 O ATOM 167 CB ARG A 11 12.974 -4.544 -7.246 1.00 0.00 C ATOM 168 CG ARG A 11 12.721 -3.347 -6.341 1.00 0.00 C ATOM 169 CD ARG A 11 12.859 -2.041 -7.105 1.00 0.00 C ATOM 170 NE ARG A 11 12.576 -0.880 -6.266 1.00 0.00 N ATOM 171 CZ ARG A 11 12.617 0.373 -6.706 1.00 0.00 C ATOM 172 NH1 ARG A 11 12.933 0.626 -7.969 1.00 0.00 N ATOM 173 NH2 ARG A 11 12.343 1.375 -5.883 1.00 0.00 N ATOM 0 H ARG A 11 10.943 -5.069 -5.945 1.00 0.00 H new ATOM 0 HA ARG A 11 12.811 -6.682 -7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 11 13.993 -4.489 -7.628 1.00 0.00 H new ATOM 0 HB3 ARG A 11 12.307 -4.484 -8.106 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.721 -3.417 -5.913 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.426 -3.361 -5.510 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.870 -1.961 -7.505 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.179 -2.046 -7.957 1.00 0.00 H new ATOM 0 HE ARG A 11 12.333 -1.040 -5.288 1.00 0.00 H new ATOM 0 HH11 ARG A 11 13.145 -0.142 -8.605 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.964 1.589 -8.304 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.100 1.185 -4.911 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.375 2.337 -6.222 1.00 0.00 H new ATOM 187 N THR A 12 13.900 -5.387 -4.461 1.00 0.00 N ATOM 188 CA THR A 12 14.906 -5.547 -3.418 1.00 0.00 C ATOM 189 C THR A 12 14.679 -6.851 -2.663 1.00 0.00 C ATOM 190 O THR A 12 15.623 -7.498 -2.202 1.00 0.00 O ATOM 191 CB THR A 12 14.873 -4.372 -2.422 1.00 0.00 C ATOM 192 OG1 THR A 12 15.167 -3.145 -3.101 1.00 0.00 O ATOM 193 CG2 THR A 12 15.873 -4.586 -1.295 1.00 0.00 C ATOM 0 H THR A 12 13.219 -4.649 -4.281 1.00 0.00 H new ATOM 0 HA THR A 12 15.882 -5.566 -3.902 1.00 0.00 H new ATOM 0 HB THR A 12 13.873 -4.319 -1.992 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.142 -2.403 -2.461 1.00 0.00 H new ATOM 0 HG21 THR A 12 15.830 -3.743 -0.606 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.628 -5.504 -0.761 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.878 -4.664 -1.710 1.00 0.00 H new ATOM 201 N LEU A 13 13.410 -7.221 -2.543 1.00 0.00 N ATOM 202 CA LEU A 13 13.021 -8.439 -1.849 1.00 0.00 C ATOM 203 C LEU A 13 13.569 -9.684 -2.539 1.00 0.00 C ATOM 204 O LEU A 13 14.266 -10.487 -1.922 1.00 0.00 O ATOM 205 CB LEU A 13 11.498 -8.523 -1.762 1.00 0.00 C ATOM 206 CG LEU A 13 10.952 -9.894 -1.373 1.00 0.00 C ATOM 207 CD1 LEU A 13 11.713 -10.454 -0.182 1.00 0.00 C ATOM 208 CD2 LEU A 13 9.465 -9.809 -1.084 1.00 0.00 C ATOM 0 H LEU A 13 12.627 -6.688 -2.922 1.00 0.00 H new ATOM 0 HA LEU A 13 13.446 -8.400 -0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.149 -7.789 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.077 -8.241 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 13 11.094 -10.577 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.309 -11.432 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.768 -10.554 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.608 -9.778 0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.091 -10.795 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.293 -9.113 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.941 -9.458 -1.973 1.00 0.00 H new ATOM 220 N ARG A 14 13.243 -9.836 -3.816 1.00 0.00 N ATOM 221 CA ARG A 14 13.690 -10.979 -4.602 1.00 0.00 C ATOM 222 C ARG A 14 15.168 -11.264 -4.370 1.00 0.00 C ATOM 223 O ARG A 14 15.621 -12.399 -4.496 1.00 0.00 O ATOM 224 CB ARG A 14 13.441 -10.707 -6.090 1.00 0.00 C ATOM 225 CG ARG A 14 13.983 -11.782 -7.021 1.00 0.00 C ATOM 226 CD ARG A 14 13.314 -13.120 -6.769 1.00 0.00 C ATOM 227 NE ARG A 14 13.762 -14.150 -7.705 1.00 0.00 N ATOM 228 CZ ARG A 14 13.554 -14.096 -9.018 1.00 0.00 C ATOM 229 NH1 ARG A 14 12.892 -13.076 -9.547 1.00 0.00 N ATOM 230 NH2 ARG A 14 14.002 -15.066 -9.802 1.00 0.00 N ATOM 0 H ARG A 14 12.665 -9.175 -4.334 1.00 0.00 H new ATOM 0 HA ARG A 14 13.123 -11.855 -4.287 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.368 -10.607 -6.255 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.894 -9.752 -6.354 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.823 -11.483 -8.057 1.00 0.00 H new ATOM 0 HG3 ARG A 14 15.059 -11.879 -6.880 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.525 -13.443 -5.749 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.233 -13.004 -6.850 1.00 0.00 H new ATOM 0 HE ARG A 14 14.262 -14.956 -7.330 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.541 -12.330 -8.947 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.734 -13.038 -10.554 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.507 -15.855 -9.399 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.842 -15.023 -10.808 1.00 0.00 H new ATOM 244 N ALA A 15 15.911 -10.215 -4.046 1.00 0.00 N ATOM 245 CA ALA A 15 17.345 -10.331 -3.810 1.00 0.00 C ATOM 246 C ALA A 15 17.670 -10.688 -2.368 1.00 0.00 C ATOM 247 O ALA A 15 18.454 -11.600 -2.107 1.00 0.00 O ATOM 248 CB ALA A 15 18.031 -9.035 -4.173 1.00 0.00 C ATOM 0 H ALA A 15 15.543 -9.270 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 15 17.709 -11.142 -4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.102 -9.128 -3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.856 -8.813 -5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.630 -8.227 -3.561 1.00 0.00 H new ATOM 254 N GLN A 16 17.084 -9.952 -1.431 1.00 0.00 N ATOM 255 CA GLN A 16 17.340 -10.191 -0.014 1.00 0.00 C ATOM 256 C GLN A 16 16.815 -11.559 0.380 1.00 0.00 C ATOM 257 O GLN A 16 17.400 -12.261 1.205 1.00 0.00 O ATOM 258 CB GLN A 16 16.671 -9.119 0.849 1.00 0.00 C ATOM 259 CG GLN A 16 15.159 -9.255 0.910 1.00 0.00 C ATOM 260 CD GLN A 16 14.504 -8.227 1.809 1.00 0.00 C ATOM 261 OE1 GLN A 16 13.525 -7.511 1.268 1.00 0.00 O flip ATOM 262 NE2 GLN A 16 14.863 -8.086 2.977 1.00 0.00 N flip ATOM 0 H GLN A 16 16.433 -9.190 -1.623 1.00 0.00 H new ATOM 0 HA GLN A 16 18.417 -10.149 0.151 1.00 0.00 H new ATOM 0 HB2 GLN A 16 17.075 -9.172 1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.925 -8.135 0.455 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.751 -9.161 -0.096 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.904 -10.254 1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.620 -8.658 3.350 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.404 -7.397 3.572 1.00 0.00 H new ATOM 271 N ALA A 17 15.699 -11.914 -0.226 1.00 0.00 N ATOM 272 CA ALA A 17 15.050 -13.182 0.024 1.00 0.00 C ATOM 273 C ALA A 17 15.623 -14.261 -0.865 1.00 0.00 C ATOM 274 O ALA A 17 15.463 -15.446 -0.590 1.00 0.00 O ATOM 275 CB ALA A 17 13.558 -13.062 -0.181 1.00 0.00 C ATOM 0 H ALA A 17 15.217 -11.328 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 17 15.235 -13.462 1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.086 -14.025 0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.155 -12.317 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.355 -12.757 -1.208 1.00 0.00 H new ATOM 281 N ARG A 18 16.284 -13.842 -1.943 1.00 0.00 N ATOM 282 CA ARG A 18 16.882 -14.792 -2.876 1.00 0.00 C ATOM 283 C ARG A 18 17.580 -15.903 -2.102 1.00 0.00 C ATOM 284 O ARG A 18 17.650 -17.046 -2.553 1.00 0.00 O ATOM 285 CB ARG A 18 17.883 -14.092 -3.801 1.00 0.00 C ATOM 286 CG ARG A 18 18.441 -14.999 -4.888 1.00 0.00 C ATOM 287 CD ARG A 18 17.338 -15.519 -5.795 1.00 0.00 C ATOM 288 NE ARG A 18 17.851 -16.416 -6.828 1.00 0.00 N ATOM 289 CZ ARG A 18 17.082 -17.004 -7.741 1.00 0.00 C ATOM 290 NH1 ARG A 18 15.773 -16.792 -7.747 1.00 0.00 N ATOM 291 NH2 ARG A 18 17.623 -17.807 -8.647 1.00 0.00 N ATOM 0 H ARG A 18 16.418 -12.861 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 18 16.089 -15.219 -3.490 1.00 0.00 H new ATOM 0 HB2 ARG A 18 17.397 -13.235 -4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.708 -13.704 -3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.174 -14.451 -5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.964 -15.839 -4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.595 -16.045 -5.196 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.830 -14.677 -6.266 1.00 0.00 H new ATOM 0 HE ARG A 18 18.854 -16.602 -6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 18 15.353 -16.177 -7.050 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.186 -17.244 -8.448 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.629 -17.974 -8.644 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.033 -18.257 -9.347 1.00 0.00 H new ATOM 305 N GLU A 19 18.079 -15.550 -0.922 1.00 0.00 N ATOM 306 CA GLU A 19 18.760 -16.507 -0.059 1.00 0.00 C ATOM 307 C GLU A 19 17.834 -16.973 1.067 1.00 0.00 C ATOM 308 O GLU A 19 18.254 -17.093 2.218 1.00 0.00 O ATOM 309 CB GLU A 19 20.026 -15.883 0.532 1.00 0.00 C ATOM 310 CG GLU A 19 21.024 -15.420 -0.517 1.00 0.00 C ATOM 311 CD GLU A 19 21.515 -16.554 -1.396 1.00 0.00 C ATOM 312 OE1 GLU A 19 22.104 -17.513 -0.855 1.00 0.00 O ATOM 313 OE2 GLU A 19 21.311 -16.482 -2.626 1.00 0.00 O ATOM 0 H GLU A 19 18.024 -14.605 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 19 19.039 -17.371 -0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.746 -15.033 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 19 20.509 -16.610 1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 19 20.561 -14.656 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 19 21.876 -14.954 -0.022 1.00 0.00 H new ATOM 320 N SER A 20 16.571 -17.226 0.724 1.00 0.00 N ATOM 321 CA SER A 20 15.583 -17.666 1.705 1.00 0.00 C ATOM 322 C SER A 20 14.271 -18.058 1.025 1.00 0.00 C ATOM 323 O SER A 20 14.090 -17.843 -0.173 1.00 0.00 O ATOM 324 CB SER A 20 15.325 -16.563 2.732 1.00 0.00 C ATOM 325 OG SER A 20 14.375 -16.976 3.700 1.00 0.00 O ATOM 0 H SER A 20 16.210 -17.133 -0.225 1.00 0.00 H new ATOM 0 HA SER A 20 15.984 -18.543 2.214 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.259 -16.297 3.226 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.966 -15.667 2.225 1.00 0.00 H new ATOM 0 HG SER A 20 14.230 -16.253 4.345 1.00 0.00 H new ATOM 331 N THR A 21 13.361 -18.635 1.805 1.00 0.00 N ATOM 332 CA THR A 21 12.061 -19.062 1.294 1.00 0.00 C ATOM 333 C THR A 21 11.150 -17.873 1.024 1.00 0.00 C ATOM 334 O THR A 21 11.501 -16.729 1.312 1.00 0.00 O ATOM 335 CB THR A 21 11.352 -20.020 2.272 1.00 0.00 C ATOM 336 OG1 THR A 21 11.259 -19.417 3.568 1.00 0.00 O ATOM 337 CG2 THR A 21 12.091 -21.347 2.372 1.00 0.00 C ATOM 0 H THR A 21 13.501 -18.818 2.799 1.00 0.00 H new ATOM 0 HA THR A 21 12.256 -19.586 0.359 1.00 0.00 H new ATOM 0 HB THR A 21 10.350 -20.214 1.889 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.806 -20.031 4.183 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.569 -22.003 3.069 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.129 -21.817 1.389 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.106 -21.172 2.730 1.00 0.00 H new ATOM 345 N LEU A 22 9.972 -18.154 0.472 1.00 0.00 N ATOM 346 CA LEU A 22 9.003 -17.122 0.167 1.00 0.00 C ATOM 347 C LEU A 22 8.367 -16.596 1.445 1.00 0.00 C ATOM 348 O LEU A 22 7.706 -15.573 1.434 1.00 0.00 O ATOM 349 CB LEU A 22 7.939 -17.647 -0.805 1.00 0.00 C ATOM 350 CG LEU A 22 6.539 -17.830 -0.220 1.00 0.00 C ATOM 351 CD1 LEU A 22 5.532 -18.035 -1.338 1.00 0.00 C ATOM 352 CD2 LEU A 22 6.490 -18.990 0.763 1.00 0.00 C ATOM 0 H LEU A 22 9.671 -19.097 0.228 1.00 0.00 H new ATOM 0 HA LEU A 22 9.519 -16.295 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.873 -16.960 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.276 -18.605 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 22 6.282 -16.925 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.537 -18.165 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.535 -17.165 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.800 -18.923 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.479 -19.090 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.773 -19.911 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.183 -18.802 1.583 1.00 0.00 H new ATOM 364 N GLU A 23 8.557 -17.317 2.545 1.00 0.00 N ATOM 365 CA GLU A 23 7.983 -16.925 3.832 1.00 0.00 C ATOM 366 C GLU A 23 8.069 -15.413 4.032 1.00 0.00 C ATOM 367 O GLU A 23 7.240 -14.824 4.731 1.00 0.00 O ATOM 368 CB GLU A 23 8.709 -17.639 4.973 1.00 0.00 C ATOM 369 CG GLU A 23 8.130 -17.338 6.347 1.00 0.00 C ATOM 370 CD GLU A 23 8.860 -18.066 7.460 1.00 0.00 C ATOM 371 OE1 GLU A 23 8.887 -19.315 7.435 1.00 0.00 O ATOM 372 OE2 GLU A 23 9.404 -17.387 8.356 1.00 0.00 O ATOM 0 H GLU A 23 9.104 -18.177 2.573 1.00 0.00 H new ATOM 0 HA GLU A 23 6.932 -17.215 3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.671 -18.714 4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.760 -17.351 4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.176 -16.264 6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.077 -17.620 6.363 1.00 0.00 H new ATOM 379 N THR A 24 9.055 -14.790 3.390 1.00 0.00 N ATOM 380 CA THR A 24 9.225 -13.346 3.473 1.00 0.00 C ATOM 381 C THR A 24 7.912 -12.644 3.144 1.00 0.00 C ATOM 382 O THR A 24 7.542 -11.665 3.795 1.00 0.00 O ATOM 383 CB THR A 24 10.332 -12.847 2.526 1.00 0.00 C ATOM 384 OG1 THR A 24 10.405 -11.417 2.565 1.00 0.00 O ATOM 385 CG2 THR A 24 10.080 -13.310 1.101 1.00 0.00 C ATOM 0 H THR A 24 9.746 -15.264 2.808 1.00 0.00 H new ATOM 0 HA THR A 24 9.523 -13.108 4.494 1.00 0.00 H new ATOM 0 HB THR A 24 11.280 -13.267 2.862 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.344 -11.137 2.548 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.876 -12.944 0.453 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.060 -14.399 1.071 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.123 -12.919 0.755 1.00 0.00 H new ATOM 393 N LEU A 25 7.194 -13.162 2.147 1.00 0.00 N ATOM 394 CA LEU A 25 5.912 -12.592 1.775 1.00 0.00 C ATOM 395 C LEU A 25 4.895 -12.832 2.880 1.00 0.00 C ATOM 396 O LEU A 25 4.164 -11.933 3.267 1.00 0.00 O ATOM 397 CB LEU A 25 5.398 -13.125 0.425 1.00 0.00 C ATOM 398 CG LEU A 25 5.541 -14.627 0.146 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.719 -15.468 1.110 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.115 -14.923 -1.282 1.00 0.00 C ATOM 0 H LEU A 25 7.480 -13.968 1.591 1.00 0.00 H new ATOM 0 HA LEU A 25 6.055 -11.519 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.342 -12.869 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.918 -12.586 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 25 6.589 -14.892 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.851 -16.524 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.050 -15.279 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.666 -15.204 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.217 -15.990 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.075 -14.627 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.746 -14.365 -1.973 1.00 0.00 H new ATOM 412 N GLU A 26 4.866 -14.036 3.425 1.00 0.00 N ATOM 413 CA GLU A 26 3.945 -14.312 4.505 1.00 0.00 C ATOM 414 C GLU A 26 4.167 -13.279 5.594 1.00 0.00 C ATOM 415 O GLU A 26 3.263 -12.957 6.364 1.00 0.00 O ATOM 416 CB GLU A 26 4.135 -15.731 5.042 1.00 0.00 C ATOM 417 CG GLU A 26 3.339 -16.016 6.309 1.00 0.00 C ATOM 418 CD GLU A 26 3.686 -17.354 6.932 1.00 0.00 C ATOM 419 OE1 GLU A 26 4.607 -18.025 6.425 1.00 0.00 O ATOM 420 OE2 GLU A 26 3.042 -17.723 7.936 1.00 0.00 O ATOM 0 H GLU A 26 5.456 -14.819 3.144 1.00 0.00 H new ATOM 0 HA GLU A 26 2.919 -14.248 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.843 -16.444 4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.194 -15.895 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.524 -15.224 7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.274 -15.994 6.077 1.00 0.00 H new ATOM 427 N GLU A 27 5.384 -12.738 5.621 1.00 0.00 N ATOM 428 CA GLU A 27 5.742 -11.714 6.592 1.00 0.00 C ATOM 429 C GLU A 27 5.285 -10.335 6.119 1.00 0.00 C ATOM 430 O GLU A 27 4.588 -9.622 6.836 1.00 0.00 O ATOM 431 CB GLU A 27 7.255 -11.698 6.812 1.00 0.00 C ATOM 432 CG GLU A 27 7.839 -13.061 7.134 1.00 0.00 C ATOM 433 CD GLU A 27 7.269 -13.655 8.407 1.00 0.00 C ATOM 434 OE1 GLU A 27 7.422 -13.027 9.477 1.00 0.00 O ATOM 435 OE2 GLU A 27 6.670 -14.748 8.336 1.00 0.00 O ATOM 0 H GLU A 27 6.136 -12.994 4.981 1.00 0.00 H new ATOM 0 HA GLU A 27 5.241 -11.950 7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.739 -11.307 5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.488 -11.011 7.626 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.647 -13.740 6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.921 -12.975 7.231 1.00 0.00 H new ATOM 442 N MET A 28 5.704 -9.965 4.911 1.00 0.00 N ATOM 443 CA MET A 28 5.361 -8.665 4.337 1.00 0.00 C ATOM 444 C MET A 28 4.053 -8.708 3.549 1.00 0.00 C ATOM 445 O MET A 28 3.203 -7.834 3.692 1.00 0.00 O ATOM 446 CB MET A 28 6.492 -8.181 3.429 1.00 0.00 C ATOM 447 CG MET A 28 7.856 -8.175 4.100 1.00 0.00 C ATOM 448 SD MET A 28 7.899 -7.159 5.588 1.00 0.00 S ATOM 449 CE MET A 28 9.610 -7.357 6.078 1.00 0.00 C ATOM 0 H MET A 28 6.284 -10.549 4.308 1.00 0.00 H new ATOM 0 HA MET A 28 5.224 -7.970 5.166 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.535 -8.818 2.546 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.262 -7.173 3.084 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.134 -9.197 4.356 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.601 -7.809 3.394 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.796 -6.786 6.988 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.816 -8.411 6.263 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.261 -6.994 5.282 1.00 0.00 H new ATOM 459 N LEU A 29 3.912 -9.726 2.708 1.00 0.00 N ATOM 460 CA LEU A 29 2.718 -9.898 1.871 1.00 0.00 C ATOM 461 C LEU A 29 1.452 -9.938 2.722 1.00 0.00 C ATOM 462 O LEU A 29 0.426 -9.371 2.351 1.00 0.00 O ATOM 463 CB LEU A 29 2.860 -11.179 1.034 1.00 0.00 C ATOM 464 CG LEU A 29 1.756 -11.465 0.021 1.00 0.00 C ATOM 465 CD1 LEU A 29 1.524 -10.264 -0.867 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.124 -12.677 -0.824 1.00 0.00 C ATOM 0 H LEU A 29 4.615 -10.455 2.583 1.00 0.00 H new ATOM 0 HA LEU A 29 2.631 -9.043 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.808 -11.131 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.922 -12.026 1.717 1.00 0.00 H new ATOM 0 HG LEU A 29 0.835 -11.676 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.733 -10.488 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.229 -9.411 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.442 -10.026 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.330 -12.873 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.055 -12.481 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.251 -13.546 -0.178 1.00 0.00 H new ATOM 478 N GLU A 30 1.533 -10.601 3.866 1.00 0.00 N ATOM 479 CA GLU A 30 0.393 -10.703 4.770 1.00 0.00 C ATOM 480 C GLU A 30 0.007 -9.340 5.337 1.00 0.00 C ATOM 481 O GLU A 30 -1.155 -9.101 5.657 1.00 0.00 O ATOM 482 CB GLU A 30 0.708 -11.663 5.921 1.00 0.00 C ATOM 483 CG GLU A 30 -0.389 -11.737 6.971 1.00 0.00 C ATOM 484 CD GLU A 30 -0.049 -12.687 8.103 1.00 0.00 C ATOM 485 OE1 GLU A 30 0.978 -12.464 8.777 1.00 0.00 O ATOM 486 OE2 GLU A 30 -0.812 -13.652 8.316 1.00 0.00 O ATOM 0 H GLU A 30 2.375 -11.077 4.192 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.448 -11.088 4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.878 -12.660 5.515 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.636 -11.351 6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.565 -10.741 7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.318 -12.058 6.499 1.00 0.00 H new ATOM 493 N LYS A 31 0.987 -8.453 5.469 1.00 0.00 N ATOM 494 CA LYS A 31 0.741 -7.119 6.014 1.00 0.00 C ATOM 495 C LYS A 31 0.341 -6.167 4.909 1.00 0.00 C ATOM 496 O LYS A 31 -0.524 -5.302 5.078 1.00 0.00 O ATOM 497 CB LYS A 31 1.982 -6.610 6.735 1.00 0.00 C ATOM 498 CG LYS A 31 2.656 -7.685 7.565 1.00 0.00 C ATOM 499 CD LYS A 31 1.702 -8.301 8.576 1.00 0.00 C ATOM 500 CE LYS A 31 2.351 -9.460 9.316 1.00 0.00 C ATOM 501 NZ LYS A 31 1.437 -10.051 10.334 1.00 0.00 N ATOM 0 H LYS A 31 1.957 -8.631 5.208 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.078 -7.177 6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.691 -6.224 6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.706 -5.777 7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.041 -8.464 6.907 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.512 -7.257 8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.387 -7.541 9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.804 -8.650 8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.644 -10.229 8.601 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.263 -9.115 9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.945 -10.160 11.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.619 -9.424 10.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.109 -10.982 10.007 1.00 0.00 H new ATOM 515 N LEU A 32 0.982 -6.353 3.769 1.00 0.00 N ATOM 516 CA LEU A 32 0.719 -5.550 2.599 1.00 0.00 C ATOM 517 C LEU A 32 -0.729 -5.731 2.175 1.00 0.00 C ATOM 518 O LEU A 32 -1.322 -4.859 1.541 1.00 0.00 O ATOM 519 CB LEU A 32 1.666 -5.947 1.481 1.00 0.00 C ATOM 520 CG LEU A 32 1.533 -5.102 0.217 1.00 0.00 C ATOM 521 CD1 LEU A 32 1.531 -3.622 0.566 1.00 0.00 C ATOM 522 CD2 LEU A 32 2.653 -5.423 -0.746 1.00 0.00 C ATOM 0 H LEU A 32 1.699 -7.066 3.633 1.00 0.00 H new ATOM 0 HA LEU A 32 0.884 -4.497 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.691 -5.876 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.491 -6.992 1.226 1.00 0.00 H new ATOM 0 HG LEU A 32 0.585 -5.340 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.436 -3.033 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.692 -3.405 1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.464 -3.365 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.547 -4.814 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.612 -5.209 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.609 -6.478 -1.016 1.00 0.00 H new ATOM 534 N GLU A 33 -1.306 -6.866 2.551 1.00 0.00 N ATOM 535 CA GLU A 33 -2.701 -7.126 2.236 1.00 0.00 C ATOM 536 C GLU A 33 -3.567 -6.484 3.306 1.00 0.00 C ATOM 537 O GLU A 33 -4.688 -6.070 3.035 1.00 0.00 O ATOM 538 CB GLU A 33 -2.989 -8.627 2.094 1.00 0.00 C ATOM 539 CG GLU A 33 -3.049 -9.409 3.400 1.00 0.00 C ATOM 540 CD GLU A 33 -4.316 -9.144 4.191 1.00 0.00 C ATOM 541 OE1 GLU A 33 -5.415 -9.356 3.636 1.00 0.00 O ATOM 542 OE2 GLU A 33 -4.210 -8.733 5.363 1.00 0.00 O ATOM 0 H GLU A 33 -0.836 -7.610 3.067 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.937 -6.686 1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.939 -8.749 1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.219 -9.069 1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.979 -10.475 3.183 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.185 -9.151 4.012 1.00 0.00 H new ATOM 549 N VAL A 34 -3.016 -6.380 4.524 1.00 0.00 N ATOM 550 CA VAL A 34 -3.730 -5.750 5.628 1.00 0.00 C ATOM 551 C VAL A 34 -3.867 -4.273 5.351 1.00 0.00 C ATOM 552 O VAL A 34 -4.933 -3.691 5.549 1.00 0.00 O ATOM 553 CB VAL A 34 -3.010 -5.870 6.976 1.00 0.00 C ATOM 554 CG1 VAL A 34 -3.941 -5.470 8.110 1.00 0.00 C ATOM 555 CG2 VAL A 34 -2.473 -7.269 7.202 1.00 0.00 C ATOM 0 H VAL A 34 -2.085 -6.723 4.762 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.688 -6.266 5.696 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.159 -5.189 6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.416 -5.560 9.061 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.263 -4.438 7.970 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.813 -6.125 8.113 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.970 -7.314 8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.298 -7.982 7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.765 -7.519 6.412 1.00 0.00 H new ATOM 565 N VAL A 35 -2.772 -3.663 4.888 1.00 0.00 N ATOM 566 CA VAL A 35 -2.799 -2.244 4.584 1.00 0.00 C ATOM 567 C VAL A 35 -3.981 -1.975 3.678 1.00 0.00 C ATOM 568 O VAL A 35 -4.728 -1.028 3.883 1.00 0.00 O ATOM 569 CB VAL A 35 -1.502 -1.730 3.921 1.00 0.00 C ATOM 570 CG1 VAL A 35 -0.339 -1.761 4.896 1.00 0.00 C ATOM 571 CG2 VAL A 35 -1.172 -2.528 2.682 1.00 0.00 C ATOM 0 H VAL A 35 -1.878 -4.124 4.721 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.888 -1.705 5.527 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.672 -0.695 3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.560 -1.394 4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.566 -1.127 5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.175 -2.784 5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.254 -2.144 2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.035 -3.576 2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.988 -2.441 1.965 1.00 0.00 H new ATOM 581 N VAL A 36 -4.183 -2.852 2.706 1.00 0.00 N ATOM 582 CA VAL A 36 -5.325 -2.718 1.822 1.00 0.00 C ATOM 583 C VAL A 36 -6.541 -3.407 2.419 1.00 0.00 C ATOM 584 O VAL A 36 -7.668 -3.106 2.071 1.00 0.00 O ATOM 585 CB VAL A 36 -5.079 -3.228 0.396 1.00 0.00 C ATOM 586 CG1 VAL A 36 -4.969 -2.044 -0.556 1.00 0.00 C ATOM 587 CG2 VAL A 36 -3.862 -4.139 0.322 1.00 0.00 C ATOM 0 H VAL A 36 -3.580 -3.652 2.513 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.505 -1.647 1.733 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.929 -3.838 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.794 -2.407 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.895 -1.470 -0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.139 -1.407 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.723 -4.478 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.977 -3.591 0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.013 -5.001 0.972 1.00 0.00 H new ATOM 597 N ASN A 37 -6.323 -4.322 3.342 1.00 0.00 N ATOM 598 CA ASN A 37 -7.442 -4.994 3.976 1.00 0.00 C ATOM 599 C ASN A 37 -8.313 -3.925 4.601 1.00 0.00 C ATOM 600 O ASN A 37 -9.538 -3.960 4.506 1.00 0.00 O ATOM 601 CB ASN A 37 -6.948 -5.978 5.033 1.00 0.00 C ATOM 602 CG ASN A 37 -7.963 -7.046 5.378 1.00 0.00 C ATOM 603 OD1 ASN A 37 -9.096 -6.750 5.754 1.00 0.00 O ATOM 604 ND2 ASN A 37 -7.547 -8.303 5.257 1.00 0.00 N ATOM 0 H ASN A 37 -5.401 -4.614 3.666 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.011 -5.568 3.244 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.035 -6.456 4.676 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.688 -5.428 5.938 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.178 -9.073 5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.597 -8.498 4.941 1.00 0.00 H new ATOM 611 N GLU A 38 -7.647 -2.947 5.203 1.00 0.00 N ATOM 612 CA GLU A 38 -8.340 -1.820 5.812 1.00 0.00 C ATOM 613 C GLU A 38 -8.678 -0.768 4.752 1.00 0.00 C ATOM 614 O GLU A 38 -9.777 -0.214 4.746 1.00 0.00 O ATOM 615 CB GLU A 38 -7.502 -1.204 6.928 1.00 0.00 C ATOM 616 CG GLU A 38 -6.106 -0.793 6.495 1.00 0.00 C ATOM 617 CD GLU A 38 -5.298 -0.188 7.626 1.00 0.00 C ATOM 618 OE1 GLU A 38 -5.080 -0.885 8.638 1.00 0.00 O ATOM 619 OE2 GLU A 38 -4.883 0.983 7.499 1.00 0.00 O ATOM 0 H GLU A 38 -6.631 -2.912 5.282 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.269 -2.186 6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.022 -0.330 7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.422 -1.920 7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.580 -1.664 6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.180 -0.072 5.681 1.00 0.00 H new ATOM 626 N ARG A 39 -7.727 -0.503 3.850 1.00 0.00 N ATOM 627 CA ARG A 39 -7.936 0.476 2.780 1.00 0.00 C ATOM 628 C ARG A 39 -8.942 -0.033 1.754 1.00 0.00 C ATOM 629 O ARG A 39 -9.944 0.609 1.487 1.00 0.00 O ATOM 630 CB ARG A 39 -6.619 0.798 2.074 1.00 0.00 C ATOM 631 CG ARG A 39 -5.830 1.929 2.704 1.00 0.00 C ATOM 632 CD ARG A 39 -5.419 1.599 4.120 1.00 0.00 C ATOM 633 NE ARG A 39 -6.236 2.297 5.108 1.00 0.00 N ATOM 634 CZ ARG A 39 -6.289 3.621 5.215 1.00 0.00 C ATOM 635 NH1 ARG A 39 -5.570 4.382 4.401 1.00 0.00 N ATOM 636 NH2 ARG A 39 -7.064 4.183 6.130 1.00 0.00 N ATOM 0 H ARG A 39 -6.810 -0.950 3.840 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.330 1.381 3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.999 -0.098 2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.831 1.053 1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.942 2.132 2.105 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.431 2.838 2.702 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.500 0.524 4.279 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.372 1.865 4.264 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.797 1.738 5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.976 3.951 3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.611 5.398 4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.621 3.600 6.754 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.103 5.199 6.211 1.00 0.00 H new ATOM 650 N ARG A 40 -8.668 -1.195 1.180 1.00 0.00 N ATOM 651 CA ARG A 40 -9.574 -1.773 0.178 1.00 0.00 C ATOM 652 C ARG A 40 -11.024 -1.684 0.651 1.00 0.00 C ATOM 653 O ARG A 40 -11.928 -1.430 -0.144 1.00 0.00 O ATOM 654 CB ARG A 40 -9.227 -3.240 -0.147 1.00 0.00 C ATOM 655 CG ARG A 40 -8.097 -3.413 -1.155 1.00 0.00 C ATOM 656 CD ARG A 40 -8.443 -2.765 -2.486 1.00 0.00 C ATOM 657 NE ARG A 40 -9.722 -3.239 -3.005 1.00 0.00 N ATOM 658 CZ ARG A 40 -10.277 -2.789 -4.126 1.00 0.00 C ATOM 659 NH1 ARG A 40 -9.661 -1.863 -4.848 1.00 0.00 N ATOM 660 NH2 ARG A 40 -11.446 -3.268 -4.527 1.00 0.00 N ATOM 0 H ARG A 40 -7.840 -1.755 1.382 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.448 -1.189 -0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.954 -3.749 0.777 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.119 -3.735 -0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.183 -2.971 -0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.899 -4.474 -1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.479 -1.682 -2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.656 -2.978 -3.209 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.219 -3.957 -2.477 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.760 -1.495 -4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.088 -1.519 -5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.921 -3.983 -3.975 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.871 -2.922 -5.387 1.00 0.00 H new ATOM 674 N GLU A 41 -11.240 -1.906 1.947 1.00 0.00 N ATOM 675 CA GLU A 41 -12.590 -1.860 2.512 1.00 0.00 C ATOM 676 C GLU A 41 -13.070 -0.432 2.811 1.00 0.00 C ATOM 677 O GLU A 41 -14.227 -0.099 2.549 1.00 0.00 O ATOM 678 CB GLU A 41 -12.657 -2.703 3.787 1.00 0.00 C ATOM 679 CG GLU A 41 -12.402 -4.183 3.551 1.00 0.00 C ATOM 680 CD GLU A 41 -12.516 -5.004 4.820 1.00 0.00 C ATOM 681 OE1 GLU A 41 -13.605 -4.999 5.433 1.00 0.00 O ATOM 682 OE2 GLU A 41 -11.520 -5.653 5.200 1.00 0.00 O ATOM 0 H GLU A 41 -10.505 -2.118 2.622 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.258 -2.270 1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.925 -2.326 4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.639 -2.580 4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.114 -4.558 2.815 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.406 -4.313 3.127 1.00 0.00 H new ATOM 689 N GLU A 42 -12.198 0.400 3.381 1.00 0.00 N ATOM 690 CA GLU A 42 -12.570 1.774 3.734 1.00 0.00 C ATOM 691 C GLU A 42 -12.428 2.726 2.552 1.00 0.00 C ATOM 692 O GLU A 42 -13.292 3.568 2.309 1.00 0.00 O ATOM 693 CB GLU A 42 -11.714 2.268 4.902 1.00 0.00 C ATOM 694 CG GLU A 42 -11.894 1.457 6.176 1.00 0.00 C ATOM 695 CD GLU A 42 -13.322 1.479 6.684 1.00 0.00 C ATOM 696 OE1 GLU A 42 -13.833 2.581 6.976 1.00 0.00 O ATOM 697 OE2 GLU A 42 -13.933 0.393 6.790 1.00 0.00 O ATOM 0 H GLU A 42 -11.235 0.151 3.608 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.620 1.762 4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.664 2.240 4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.961 3.310 5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.594 0.426 5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.232 1.848 6.948 1.00 0.00 H new ATOM 704 N GLU A 43 -11.331 2.594 1.830 1.00 0.00 N ATOM 705 CA GLU A 43 -11.062 3.441 0.678 1.00 0.00 C ATOM 706 C GLU A 43 -12.148 3.296 -0.375 1.00 0.00 C ATOM 707 O GLU A 43 -12.683 4.292 -0.860 1.00 0.00 O ATOM 708 CB GLU A 43 -9.706 3.111 0.083 1.00 0.00 C ATOM 709 CG GLU A 43 -9.404 3.879 -1.191 1.00 0.00 C ATOM 710 CD GLU A 43 -9.504 5.385 -1.034 1.00 0.00 C ATOM 711 OE1 GLU A 43 -10.606 5.883 -0.726 1.00 0.00 O ATOM 712 OE2 GLU A 43 -8.476 6.068 -1.231 1.00 0.00 O ATOM 0 H GLU A 43 -10.605 1.903 2.021 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.055 4.477 1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.932 3.326 0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.660 2.042 -0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.400 3.624 -1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.094 3.557 -1.971 1.00 0.00 H new ATOM 719 N SER A 44 -12.488 2.053 -0.714 1.00 0.00 N ATOM 720 CA SER A 44 -13.537 1.809 -1.693 1.00 0.00 C ATOM 721 C SER A 44 -14.783 2.553 -1.252 1.00 0.00 C ATOM 722 O SER A 44 -15.549 3.072 -2.066 1.00 0.00 O ATOM 723 CB SER A 44 -13.828 0.312 -1.817 1.00 0.00 C ATOM 724 OG SER A 44 -14.276 -0.224 -0.585 1.00 0.00 O ATOM 0 H SER A 44 -12.057 1.212 -0.329 1.00 0.00 H new ATOM 0 HA SER A 44 -13.214 2.164 -2.672 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.584 0.148 -2.585 1.00 0.00 H new ATOM 0 HB3 SER A 44 -12.928 -0.211 -2.139 1.00 0.00 H new ATOM 0 HG SER A 44 -13.543 -0.712 -0.155 1.00 0.00 H new ATOM 730 N ALA A 45 -14.950 2.615 0.065 1.00 0.00 N ATOM 731 CA ALA A 45 -16.066 3.310 0.677 1.00 0.00 C ATOM 732 C ALA A 45 -15.936 4.815 0.463 1.00 0.00 C ATOM 733 O ALA A 45 -16.910 5.492 0.133 1.00 0.00 O ATOM 734 CB ALA A 45 -16.112 2.984 2.162 1.00 0.00 C ATOM 0 H ALA A 45 -14.313 2.183 0.734 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.994 2.980 0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.950 3.506 2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -16.236 1.909 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -15.182 3.303 2.633 1.00 0.00 H new ATOM 740 N ALA A 46 -14.719 5.325 0.650 1.00 0.00 N ATOM 741 CA ALA A 46 -14.442 6.748 0.476 1.00 0.00 C ATOM 742 C ALA A 46 -14.705 7.187 -0.959 1.00 0.00 C ATOM 743 O ALA A 46 -15.252 8.264 -1.201 1.00 0.00 O ATOM 744 CB ALA A 46 -12.999 7.050 0.860 1.00 0.00 C ATOM 0 H ALA A 46 -13.908 4.771 0.923 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.112 7.307 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.802 8.114 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.836 6.778 1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.325 6.474 0.225 1.00 0.00 H new ATOM 947 N GLU B 2 -10.295 -7.751 -1.945 1.00 0.00 N ATOM 948 CA GLU B 2 -9.376 -7.888 -3.069 1.00 0.00 C ATOM 949 C GLU B 2 -7.937 -8.000 -2.583 1.00 0.00 C ATOM 950 O GLU B 2 -7.100 -8.606 -3.243 1.00 0.00 O ATOM 951 CB GLU B 2 -9.517 -6.704 -4.028 1.00 0.00 C ATOM 952 CG GLU B 2 -8.602 -6.797 -5.241 1.00 0.00 C ATOM 953 CD GLU B 2 -8.817 -5.668 -6.232 1.00 0.00 C ATOM 954 OE1 GLU B 2 -9.712 -4.832 -5.995 1.00 0.00 O ATOM 955 OE2 GLU B 2 -8.092 -5.627 -7.247 1.00 0.00 O ATOM 0 HA GLU B 2 -9.632 -8.803 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -10.551 -6.641 -4.366 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -9.301 -5.782 -3.489 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -7.564 -6.789 -4.908 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -8.768 -7.750 -5.743 1.00 0.00 H new ATOM 962 N ALA B 3 -7.660 -7.414 -1.421 1.00 0.00 N ATOM 963 CA ALA B 3 -6.322 -7.450 -0.836 1.00 0.00 C ATOM 964 C ALA B 3 -6.037 -8.824 -0.258 1.00 0.00 C ATOM 965 O ALA B 3 -4.891 -9.230 -0.080 1.00 0.00 O ATOM 966 CB ALA B 3 -6.189 -6.390 0.243 1.00 0.00 C ATOM 0 H ALA B 3 -8.347 -6.907 -0.864 1.00 0.00 H new ATOM 0 HA ALA B 3 -5.594 -7.243 -1.621 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -5.187 -6.429 0.670 1.00 0.00 H new ATOM 0 HB2 ALA B 3 -6.360 -5.405 -0.191 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -6.924 -6.574 1.026 1.00 0.00 H new ATOM 972 N LEU B 4 -7.111 -9.518 0.041 1.00 0.00 N ATOM 973 CA LEU B 4 -7.060 -10.843 0.612 1.00 0.00 C ATOM 974 C LEU B 4 -6.899 -11.884 -0.490 1.00 0.00 C ATOM 975 O LEU B 4 -6.099 -12.809 -0.383 1.00 0.00 O ATOM 976 CB LEU B 4 -8.361 -11.078 1.378 1.00 0.00 C ATOM 977 CG LEU B 4 -8.596 -10.178 2.605 1.00 0.00 C ATOM 978 CD1 LEU B 4 -8.231 -8.724 2.324 1.00 0.00 C ATOM 979 CD2 LEU B 4 -10.044 -10.274 3.040 1.00 0.00 C ATOM 0 H LEU B 4 -8.059 -9.172 -0.108 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.207 -10.932 1.285 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -9.194 -10.943 0.689 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -8.384 -12.117 1.705 1.00 0.00 H new ATOM 0 HG LEU B 4 -7.946 -10.530 3.406 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -8.412 -8.124 3.216 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -7.178 -8.659 2.051 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -8.842 -8.348 1.504 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -10.206 -9.636 3.909 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -10.691 -9.949 2.225 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.278 -11.306 3.300 1.00 0.00 H new ATOM 991 N LYS B 5 -7.683 -11.712 -1.547 1.00 0.00 N ATOM 992 CA LYS B 5 -7.666 -12.614 -2.689 1.00 0.00 C ATOM 993 C LYS B 5 -6.510 -12.290 -3.636 1.00 0.00 C ATOM 994 O LYS B 5 -6.029 -13.169 -4.354 1.00 0.00 O ATOM 995 CB LYS B 5 -9.013 -12.540 -3.426 1.00 0.00 C ATOM 996 CG LYS B 5 -9.141 -13.493 -4.606 1.00 0.00 C ATOM 997 CD LYS B 5 -8.436 -12.958 -5.841 1.00 0.00 C ATOM 998 CE LYS B 5 -8.523 -13.934 -7.003 1.00 0.00 C ATOM 999 NZ LYS B 5 -9.933 -14.219 -7.384 1.00 0.00 N ATOM 0 H LYS B 5 -8.348 -10.943 -1.636 1.00 0.00 H new ATOM 0 HA LYS B 5 -7.514 -13.630 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -9.813 -12.751 -2.716 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -9.163 -11.520 -3.781 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -8.720 -14.462 -4.338 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -10.195 -13.654 -4.830 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -8.881 -12.006 -6.131 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -7.389 -12.763 -5.607 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -7.991 -13.525 -7.862 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -8.025 -14.865 -6.733 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -9.952 -14.719 -8.296 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -10.377 -14.812 -6.654 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -10.457 -13.325 -7.469 1.00 0.00 H new ATOM 1013 N ILE B 6 -6.058 -11.038 -3.629 1.00 0.00 N ATOM 1014 CA ILE B 6 -4.960 -10.627 -4.489 1.00 0.00 C ATOM 1015 C ILE B 6 -3.793 -11.561 -4.262 1.00 0.00 C ATOM 1016 O ILE B 6 -3.364 -12.281 -5.165 1.00 0.00 O ATOM 1017 CB ILE B 6 -4.532 -9.162 -4.200 1.00 0.00 C ATOM 1018 CG1 ILE B 6 -3.382 -8.719 -5.107 1.00 0.00 C ATOM 1019 CG2 ILE B 6 -4.138 -8.985 -2.748 1.00 0.00 C ATOM 1020 CD1 ILE B 6 -2.064 -9.425 -4.862 1.00 0.00 C ATOM 0 H ILE B 6 -6.435 -10.296 -3.039 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.287 -10.675 -5.528 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.396 -8.532 -4.411 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -3.675 -8.879 -6.145 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -3.232 -7.647 -4.980 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -3.843 -7.950 -2.575 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -4.985 -9.233 -2.108 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.302 -9.644 -2.515 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.313 -9.043 -5.553 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -1.740 -9.245 -3.837 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.190 -10.496 -5.020 1.00 0.00 H new ATOM 1032 N LEU B 7 -3.310 -11.567 -3.037 1.00 0.00 N ATOM 1033 CA LEU B 7 -2.229 -12.431 -2.654 1.00 0.00 C ATOM 1034 C LEU B 7 -2.821 -13.783 -2.308 1.00 0.00 C ATOM 1035 O LEU B 7 -2.112 -14.772 -2.124 1.00 0.00 O ATOM 1036 CB LEU B 7 -1.462 -11.822 -1.469 1.00 0.00 C ATOM 1037 CG LEU B 7 -1.711 -12.461 -0.098 1.00 0.00 C ATOM 1038 CD1 LEU B 7 -0.798 -13.658 0.111 1.00 0.00 C ATOM 1039 CD2 LEU B 7 -1.510 -11.440 1.006 1.00 0.00 C ATOM 0 H LEU B 7 -3.659 -10.972 -2.285 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.513 -12.549 -3.467 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.395 -11.881 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -1.716 -10.764 -1.405 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.743 -12.809 -0.064 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.991 -14.096 1.090 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.989 -14.401 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.242 -13.336 0.056 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.691 -11.909 1.973 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.488 -11.063 0.971 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.207 -10.613 0.868 1.00 0.00 H new ATOM 1051 N ASN B 8 -4.152 -13.799 -2.230 1.00 0.00 N ATOM 1052 CA ASN B 8 -4.891 -15.014 -1.906 1.00 0.00 C ATOM 1053 C ASN B 8 -4.484 -15.531 -0.526 1.00 0.00 C ATOM 1054 O ASN B 8 -4.436 -16.738 -0.291 1.00 0.00 O ATOM 1055 CB ASN B 8 -4.642 -16.088 -2.972 1.00 0.00 C ATOM 1056 CG ASN B 8 -5.556 -17.294 -2.830 1.00 0.00 C ATOM 1057 OD1 ASN B 8 -6.493 -17.233 -1.889 1.00 0.00 O flip ATOM 1058 ND2 ASN B 8 -5.425 -18.271 -3.567 1.00 0.00 N flip ATOM 0 H ASN B 8 -4.740 -12.980 -2.388 1.00 0.00 H new ATOM 0 HA ASN B 8 -5.955 -14.780 -1.889 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -4.781 -15.649 -3.960 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -3.605 -16.417 -2.912 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -4.693 -18.279 -4.277 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -6.048 -19.072 -3.467 1.00 0.00 H new ATOM 1065 N ASN B 9 -4.195 -14.597 0.381 1.00 0.00 N ATOM 1066 CA ASN B 9 -3.792 -14.926 1.745 1.00 0.00 C ATOM 1067 C ASN B 9 -2.502 -15.751 1.766 1.00 0.00 C ATOM 1068 O ASN B 9 -2.384 -16.763 1.078 1.00 0.00 O ATOM 1069 CB ASN B 9 -4.913 -15.679 2.465 1.00 0.00 C ATOM 1070 CG ASN B 9 -6.201 -14.876 2.588 1.00 0.00 C ATOM 1071 OD1 ASN B 9 -6.216 -13.650 2.062 1.00 0.00 O flip ATOM 1072 ND2 ASN B 9 -7.183 -15.357 3.154 1.00 0.00 N flip ATOM 0 H ASN B 9 -4.234 -13.596 0.190 1.00 0.00 H new ATOM 0 HA ASN B 9 -3.599 -13.990 2.268 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -5.121 -16.605 1.929 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -4.571 -15.958 3.462 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -7.136 -16.298 3.545 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -8.043 -14.814 3.232 1.00 0.00 H new ATOM 1079 N ILE B 10 -1.535 -15.299 2.562 1.00 0.00 N ATOM 1080 CA ILE B 10 -0.244 -15.978 2.685 1.00 0.00 C ATOM 1081 C ILE B 10 -0.409 -17.428 3.132 1.00 0.00 C ATOM 1082 O ILE B 10 0.422 -18.278 2.824 1.00 0.00 O ATOM 1083 CB ILE B 10 0.694 -15.251 3.670 1.00 0.00 C ATOM 1084 CG1 ILE B 10 0.150 -15.315 5.104 1.00 0.00 C ATOM 1085 CG2 ILE B 10 0.901 -13.807 3.233 1.00 0.00 C ATOM 1086 CD1 ILE B 10 -1.141 -14.554 5.317 1.00 0.00 C ATOM 0 H ILE B 10 -1.621 -14.460 3.135 1.00 0.00 H new ATOM 0 HA ILE B 10 0.204 -15.961 1.691 1.00 0.00 H new ATOM 0 HB ILE B 10 1.658 -15.759 3.660 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -0.009 -16.359 5.373 1.00 0.00 H new ATOM 0 HG13 ILE B 10 0.906 -14.922 5.784 1.00 0.00 H new ATOM 0 HG21 ILE B 10 1.565 -13.305 3.937 1.00 0.00 H new ATOM 0 HG22 ILE B 10 1.346 -13.788 2.238 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -0.060 -13.292 3.211 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -1.454 -14.652 6.356 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -0.985 -13.501 5.083 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -1.915 -14.960 4.665 1.00 0.00 H new ATOM 1098 N ARG B 11 -1.484 -17.704 3.865 1.00 0.00 N ATOM 1099 CA ARG B 11 -1.747 -19.053 4.357 1.00 0.00 C ATOM 1100 C ARG B 11 -1.810 -20.065 3.212 1.00 0.00 C ATOM 1101 O ARG B 11 -1.145 -21.102 3.246 1.00 0.00 O ATOM 1102 CB ARG B 11 -3.059 -19.072 5.145 1.00 0.00 C ATOM 1103 CG ARG B 11 -4.252 -18.566 4.350 1.00 0.00 C ATOM 1104 CD ARG B 11 -5.533 -18.544 5.177 1.00 0.00 C ATOM 1105 NE ARG B 11 -5.482 -17.574 6.269 1.00 0.00 N ATOM 1106 CZ ARG B 11 -4.905 -17.803 7.447 1.00 0.00 C ATOM 1107 NH1 ARG B 11 -4.388 -18.993 7.720 1.00 0.00 N ATOM 1108 NH2 ARG B 11 -4.865 -16.844 8.361 1.00 0.00 N ATOM 0 H ARG B 11 -2.186 -17.013 4.131 1.00 0.00 H new ATOM 0 HA ARG B 11 -0.924 -19.340 5.011 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -3.259 -20.091 5.477 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -2.944 -18.462 6.041 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -4.042 -17.561 3.984 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.398 -19.200 3.475 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.376 -18.310 4.527 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -5.713 -19.538 5.587 1.00 0.00 H new ATOM 0 HE ARG B 11 -5.916 -16.663 6.119 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -4.431 -19.739 7.026 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -3.947 -19.162 8.624 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -5.276 -15.932 8.162 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -4.423 -17.018 9.264 1.00 0.00 H new ATOM 1122 N THR B 12 -2.614 -19.758 2.200 1.00 0.00 N ATOM 1123 CA THR B 12 -2.769 -20.639 1.048 1.00 0.00 C ATOM 1124 C THR B 12 -1.647 -20.437 0.034 1.00 0.00 C ATOM 1125 O THR B 12 -1.186 -21.391 -0.596 1.00 0.00 O ATOM 1126 CB THR B 12 -4.123 -20.409 0.351 1.00 0.00 C ATOM 1127 OG1 THR B 12 -5.196 -20.662 1.265 1.00 0.00 O ATOM 1128 CG2 THR B 12 -4.268 -21.313 -0.867 1.00 0.00 C ATOM 0 H THR B 12 -3.170 -18.904 2.154 1.00 0.00 H new ATOM 0 HA THR B 12 -2.726 -21.661 1.426 1.00 0.00 H new ATOM 0 HB THR B 12 -4.162 -19.371 0.022 1.00 0.00 H new ATOM 0 HG1 THR B 12 -6.053 -20.512 0.813 1.00 0.00 H new ATOM 0 HG21 THR B 12 -5.232 -21.132 -1.342 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.468 -21.099 -1.576 1.00 0.00 H new ATOM 0 HG23 THR B 12 -4.207 -22.356 -0.555 1.00 0.00 H new ATOM 1136 N LEU B 13 -1.229 -19.187 -0.133 1.00 0.00 N ATOM 1137 CA LEU B 13 -0.177 -18.856 -1.087 1.00 0.00 C ATOM 1138 C LEU B 13 1.144 -19.522 -0.725 1.00 0.00 C ATOM 1139 O LEU B 13 1.719 -20.244 -1.536 1.00 0.00 O ATOM 1140 CB LEU B 13 0.007 -17.338 -1.173 1.00 0.00 C ATOM 1141 CG LEU B 13 1.005 -16.858 -2.233 1.00 0.00 C ATOM 1142 CD1 LEU B 13 0.875 -15.358 -2.443 1.00 0.00 C ATOM 1143 CD2 LEU B 13 2.432 -17.221 -1.846 1.00 0.00 C ATOM 0 H LEU B 13 -1.602 -18.387 0.379 1.00 0.00 H new ATOM 0 HA LEU B 13 -0.487 -19.237 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -0.962 -16.882 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU B 13 0.333 -16.972 -0.199 1.00 0.00 H new ATOM 0 HG LEU B 13 0.772 -17.363 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU B 13 1.590 -15.033 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.136 -15.123 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU B 13 1.077 -14.840 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU B 13 3.119 -16.868 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.682 -16.752 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU B 13 2.519 -18.303 -1.750 1.00 0.00 H new ATOM 1155 N ARG B 14 1.630 -19.265 0.485 1.00 0.00 N ATOM 1156 CA ARG B 14 2.891 -19.829 0.941 1.00 0.00 C ATOM 1157 C ARG B 14 3.001 -21.302 0.579 1.00 0.00 C ATOM 1158 O ARG B 14 4.085 -21.799 0.286 1.00 0.00 O ATOM 1159 CB ARG B 14 3.010 -19.656 2.450 1.00 0.00 C ATOM 1160 CG ARG B 14 4.162 -20.421 3.069 1.00 0.00 C ATOM 1161 CD ARG B 14 4.142 -20.289 4.576 1.00 0.00 C ATOM 1162 NE ARG B 14 5.171 -21.104 5.219 1.00 0.00 N ATOM 1163 CZ ARG B 14 6.478 -20.945 5.018 1.00 0.00 C ATOM 1164 NH1 ARG B 14 6.919 -19.999 4.202 1.00 0.00 N ATOM 1165 NH2 ARG B 14 7.344 -21.733 5.639 1.00 0.00 N ATOM 0 H ARG B 14 1.166 -18.667 1.168 1.00 0.00 H new ATOM 0 HA ARG B 14 3.703 -19.299 0.443 1.00 0.00 H new ATOM 0 HB2 ARG B 14 3.128 -18.596 2.676 1.00 0.00 H new ATOM 0 HB3 ARG B 14 2.080 -19.980 2.917 1.00 0.00 H new ATOM 0 HG2 ARG B 14 4.098 -21.473 2.790 1.00 0.00 H new ATOM 0 HG3 ARG B 14 5.107 -20.044 2.678 1.00 0.00 H new ATOM 0 HD2 ARG B 14 4.287 -19.244 4.849 1.00 0.00 H new ATOM 0 HD3 ARG B 14 3.162 -20.583 4.951 1.00 0.00 H new ATOM 0 HE ARG B 14 4.870 -21.838 5.860 1.00 0.00 H new ATOM 0 HH11 ARG B 14 6.257 -19.388 3.724 1.00 0.00 H new ATOM 0 HH12 ARG B 14 7.921 -19.882 4.052 1.00 0.00 H new ATOM 0 HH21 ARG B 14 7.009 -22.461 6.270 1.00 0.00 H new ATOM 0 HH22 ARG B 14 8.345 -21.612 5.485 1.00 0.00 H new ATOM 1179 N ALA B 15 1.869 -21.991 0.614 1.00 0.00 N ATOM 1180 CA ALA B 15 1.827 -23.413 0.304 1.00 0.00 C ATOM 1181 C ALA B 15 1.805 -23.678 -1.196 1.00 0.00 C ATOM 1182 O ALA B 15 2.562 -24.509 -1.698 1.00 0.00 O ATOM 1183 CB ALA B 15 0.609 -24.043 0.941 1.00 0.00 C ATOM 0 H ALA B 15 0.964 -21.586 0.855 1.00 0.00 H new ATOM 0 HA ALA B 15 2.737 -23.857 0.707 1.00 0.00 H new ATOM 0 HB1 ALA B 15 0.584 -25.107 0.705 1.00 0.00 H new ATOM 0 HB2 ALA B 15 0.655 -23.912 2.022 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -0.292 -23.565 0.556 1.00 0.00 H new ATOM 1189 N GLN B 16 0.925 -22.981 -1.906 1.00 0.00 N ATOM 1190 CA GLN B 16 0.806 -23.167 -3.348 1.00 0.00 C ATOM 1191 C GLN B 16 2.114 -22.799 -4.023 1.00 0.00 C ATOM 1192 O GLN B 16 2.535 -23.418 -5.000 1.00 0.00 O ATOM 1193 CB GLN B 16 -0.328 -22.307 -3.919 1.00 0.00 C ATOM 1194 CG GLN B 16 0.036 -20.837 -4.059 1.00 0.00 C ATOM 1195 CD GLN B 16 -1.082 -19.995 -4.642 1.00 0.00 C ATOM 1196 OE1 GLN B 16 -1.356 -18.860 -4.011 1.00 0.00 O flip ATOM 1197 NE2 GLN B 16 -1.676 -20.349 -5.661 1.00 0.00 N flip ATOM 0 H GLN B 16 0.289 -22.288 -1.512 1.00 0.00 H new ATOM 0 HA GLN B 16 0.576 -24.215 -3.541 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -0.612 -22.697 -4.896 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -1.202 -22.397 -3.273 1.00 0.00 H new ATOM 0 HG2 GLN B 16 0.306 -20.442 -3.080 1.00 0.00 H new ATOM 0 HG3 GLN B 16 0.918 -20.747 -4.693 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -1.432 -21.230 -6.113 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -2.412 -19.761 -6.053 1.00 0.00 H new ATOM 1206 N ALA B 17 2.739 -21.773 -3.478 1.00 0.00 N ATOM 1207 CA ALA B 17 3.998 -21.271 -3.980 1.00 0.00 C ATOM 1208 C ALA B 17 5.162 -22.023 -3.371 1.00 0.00 C ATOM 1209 O ALA B 17 6.258 -22.036 -3.925 1.00 0.00 O ATOM 1210 CB ALA B 17 4.121 -19.791 -3.690 1.00 0.00 C ATOM 0 H ALA B 17 2.383 -21.263 -2.670 1.00 0.00 H new ATOM 0 HA ALA B 17 4.022 -21.425 -5.059 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.073 -19.423 -4.072 1.00 0.00 H new ATOM 0 HB2 ALA B 17 3.304 -19.256 -4.175 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.074 -19.626 -2.614 1.00 0.00 H new ATOM 1216 N ARG B 18 4.921 -22.639 -2.215 1.00 0.00 N ATOM 1217 CA ARG B 18 5.968 -23.389 -1.528 1.00 0.00 C ATOM 1218 C ARG B 18 6.702 -24.280 -2.518 1.00 0.00 C ATOM 1219 O ARG B 18 7.894 -24.552 -2.367 1.00 0.00 O ATOM 1220 CB ARG B 18 5.390 -24.243 -0.398 1.00 0.00 C ATOM 1221 CG ARG B 18 6.455 -24.883 0.481 1.00 0.00 C ATOM 1222 CD ARG B 18 7.287 -23.829 1.197 1.00 0.00 C ATOM 1223 NE ARG B 18 8.373 -24.417 1.979 1.00 0.00 N ATOM 1224 CZ ARG B 18 9.205 -23.709 2.737 1.00 0.00 C ATOM 1225 NH1 ARG B 18 9.073 -22.392 2.819 1.00 0.00 N ATOM 1226 NH2 ARG B 18 10.170 -24.318 3.412 1.00 0.00 N ATOM 0 H ARG B 18 4.019 -22.634 -1.739 1.00 0.00 H new ATOM 0 HA ARG B 18 6.664 -22.672 -1.093 1.00 0.00 H new ATOM 0 HB2 ARG B 18 4.743 -23.623 0.222 1.00 0.00 H new ATOM 0 HB3 ARG B 18 4.765 -25.026 -0.827 1.00 0.00 H new ATOM 0 HG2 ARG B 18 5.981 -25.535 1.214 1.00 0.00 H new ATOM 0 HG3 ARG B 18 7.105 -25.510 -0.129 1.00 0.00 H new ATOM 0 HD2 ARG B 18 7.703 -23.138 0.464 1.00 0.00 H new ATOM 0 HD3 ARG B 18 6.643 -23.246 1.855 1.00 0.00 H new ATOM 0 HE ARG B 18 8.500 -25.428 1.941 1.00 0.00 H new ATOM 0 HH11 ARG B 18 8.332 -21.920 2.300 1.00 0.00 H new ATOM 0 HH12 ARG B 18 9.712 -21.851 3.401 1.00 0.00 H new ATOM 0 HH21 ARG B 18 10.275 -25.331 3.350 1.00 0.00 H new ATOM 0 HH22 ARG B 18 10.808 -23.774 3.993 1.00 0.00 H new ATOM 1240 N GLU B 19 5.975 -24.729 -3.534 1.00 0.00 N ATOM 1241 CA GLU B 19 6.549 -25.590 -4.561 1.00 0.00 C ATOM 1242 C GLU B 19 7.246 -24.773 -5.649 1.00 0.00 C ATOM 1243 O GLU B 19 7.322 -25.202 -6.800 1.00 0.00 O ATOM 1244 CB GLU B 19 5.464 -26.472 -5.183 1.00 0.00 C ATOM 1245 CG GLU B 19 4.782 -27.391 -4.182 1.00 0.00 C ATOM 1246 CD GLU B 19 3.723 -28.266 -4.824 1.00 0.00 C ATOM 1247 OE1 GLU B 19 4.068 -29.047 -5.734 1.00 0.00 O ATOM 1248 OE2 GLU B 19 2.546 -28.170 -4.414 1.00 0.00 O ATOM 0 H GLU B 19 4.988 -24.511 -3.669 1.00 0.00 H new ATOM 0 HA GLU B 19 7.296 -26.224 -4.083 1.00 0.00 H new ATOM 0 HB2 GLU B 19 4.713 -25.835 -5.650 1.00 0.00 H new ATOM 0 HB3 GLU B 19 5.907 -27.076 -5.975 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.531 -28.023 -3.705 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.325 -26.791 -3.396 1.00 0.00 H new ATOM 1255 N SER B 20 7.757 -23.597 -5.284 1.00 0.00 N ATOM 1256 CA SER B 20 8.447 -22.742 -6.244 1.00 0.00 C ATOM 1257 C SER B 20 9.247 -21.646 -5.537 1.00 0.00 C ATOM 1258 O SER B 20 9.599 -21.779 -4.364 1.00 0.00 O ATOM 1259 CB SER B 20 7.437 -22.116 -7.209 1.00 0.00 C ATOM 1260 OG SER B 20 6.511 -21.294 -6.519 1.00 0.00 O ATOM 0 H SER B 20 7.706 -23.219 -4.338 1.00 0.00 H new ATOM 0 HA SER B 20 9.147 -23.361 -6.806 1.00 0.00 H new ATOM 0 HB2 SER B 20 7.964 -21.525 -7.958 1.00 0.00 H new ATOM 0 HB3 SER B 20 6.903 -22.903 -7.741 1.00 0.00 H new ATOM 0 HG SER B 20 6.466 -21.569 -5.579 1.00 0.00 H new ATOM 1266 N THR B 21 9.530 -20.565 -6.262 1.00 0.00 N ATOM 1267 CA THR B 21 10.288 -19.445 -5.716 1.00 0.00 C ATOM 1268 C THR B 21 9.366 -18.379 -5.140 1.00 0.00 C ATOM 1269 O THR B 21 8.160 -18.387 -5.391 1.00 0.00 O ATOM 1270 CB THR B 21 11.187 -18.793 -6.783 1.00 0.00 C ATOM 1271 OG1 THR B 21 10.400 -18.397 -7.913 1.00 0.00 O ATOM 1272 CG2 THR B 21 12.285 -19.745 -7.231 1.00 0.00 C ATOM 0 H THR B 21 9.243 -20.443 -7.233 1.00 0.00 H new ATOM 0 HA THR B 21 10.912 -19.855 -4.922 1.00 0.00 H new ATOM 0 HB THR B 21 11.654 -17.914 -6.339 1.00 0.00 H new ATOM 0 HG1 THR B 21 10.979 -17.982 -8.586 1.00 0.00 H new ATOM 0 HG21 THR B 21 12.904 -19.258 -7.984 1.00 0.00 H new ATOM 0 HG22 THR B 21 12.902 -20.017 -6.375 1.00 0.00 H new ATOM 0 HG23 THR B 21 11.837 -20.643 -7.655 1.00 0.00 H new ATOM 1280 N LEU B 22 9.941 -17.454 -4.378 1.00 0.00 N ATOM 1281 CA LEU B 22 9.177 -16.376 -3.781 1.00 0.00 C ATOM 1282 C LEU B 22 8.571 -15.501 -4.871 1.00 0.00 C ATOM 1283 O LEU B 22 7.711 -14.684 -4.603 1.00 0.00 O ATOM 1284 CB LEU B 22 10.041 -15.536 -2.835 1.00 0.00 C ATOM 1285 CG LEU B 22 10.530 -14.203 -3.402 1.00 0.00 C ATOM 1286 CD1 LEU B 22 11.164 -13.360 -2.309 1.00 0.00 C ATOM 1287 CD2 LEU B 22 11.505 -14.419 -4.541 1.00 0.00 C ATOM 0 H LEU B 22 10.938 -17.434 -4.162 1.00 0.00 H new ATOM 0 HA LEU B 22 8.373 -16.816 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.469 -15.338 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU B 22 10.909 -16.127 -2.542 1.00 0.00 H new ATOM 0 HG LEU B 22 9.666 -13.668 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.506 -12.415 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.429 -13.164 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU B 22 12.012 -13.895 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.836 -13.454 -4.925 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.367 -14.981 -4.181 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.015 -14.978 -5.338 1.00 0.00 H new ATOM 1299 N GLU B 23 9.044 -15.668 -6.101 1.00 0.00 N ATOM 1300 CA GLU B 23 8.557 -14.877 -7.232 1.00 0.00 C ATOM 1301 C GLU B 23 7.050 -14.662 -7.135 1.00 0.00 C ATOM 1302 O GLU B 23 6.527 -13.653 -7.615 1.00 0.00 O ATOM 1303 CB GLU B 23 8.900 -15.581 -8.545 1.00 0.00 C ATOM 1304 CG GLU B 23 8.386 -14.864 -9.785 1.00 0.00 C ATOM 1305 CD GLU B 23 8.946 -13.462 -9.926 1.00 0.00 C ATOM 1306 OE1 GLU B 23 10.186 -13.321 -9.987 1.00 0.00 O ATOM 1307 OE2 GLU B 23 8.144 -12.507 -9.981 1.00 0.00 O ATOM 0 H GLU B 23 9.767 -16.346 -6.344 1.00 0.00 H new ATOM 0 HA GLU B 23 9.045 -13.903 -7.207 1.00 0.00 H new ATOM 0 HB2 GLU B 23 9.983 -15.682 -8.619 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.487 -16.589 -8.523 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.646 -15.445 -10.670 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.298 -14.814 -9.746 1.00 0.00 H new ATOM 1314 N THR B 24 6.361 -15.595 -6.480 1.00 0.00 N ATOM 1315 CA THR B 24 4.924 -15.481 -6.285 1.00 0.00 C ATOM 1316 C THR B 24 4.588 -14.118 -5.692 1.00 0.00 C ATOM 1317 O THR B 24 3.647 -13.457 -6.125 1.00 0.00 O ATOM 1318 CB THR B 24 4.384 -16.585 -5.358 1.00 0.00 C ATOM 1319 OG1 THR B 24 4.559 -17.868 -5.971 1.00 0.00 O ATOM 1320 CG2 THR B 24 2.914 -16.358 -5.047 1.00 0.00 C ATOM 0 H THR B 24 6.777 -16.435 -6.078 1.00 0.00 H new ATOM 0 HA THR B 24 4.450 -15.593 -7.260 1.00 0.00 H new ATOM 0 HB THR B 24 4.944 -16.552 -4.423 1.00 0.00 H new ATOM 0 HG1 THR B 24 3.686 -18.299 -6.084 1.00 0.00 H new ATOM 0 HG21 THR B 24 2.554 -17.150 -4.391 1.00 0.00 H new ATOM 0 HG22 THR B 24 2.791 -15.394 -4.553 1.00 0.00 H new ATOM 0 HG23 THR B 24 2.340 -16.367 -5.974 1.00 0.00 H new ATOM 1328 N LEU B 25 5.380 -13.694 -4.708 1.00 0.00 N ATOM 1329 CA LEU B 25 5.176 -12.398 -4.084 1.00 0.00 C ATOM 1330 C LEU B 25 5.503 -11.282 -5.068 1.00 0.00 C ATOM 1331 O LEU B 25 4.755 -10.324 -5.204 1.00 0.00 O ATOM 1332 CB LEU B 25 5.990 -12.245 -2.785 1.00 0.00 C ATOM 1333 CG LEU B 25 7.444 -12.738 -2.800 1.00 0.00 C ATOM 1334 CD1 LEU B 25 8.314 -11.889 -3.712 1.00 0.00 C ATOM 1335 CD2 LEU B 25 8.012 -12.728 -1.393 1.00 0.00 C ATOM 0 H LEU B 25 6.163 -14.229 -4.331 1.00 0.00 H new ATOM 0 HA LEU B 25 4.124 -12.326 -3.807 1.00 0.00 H new ATOM 0 HB2 LEU B 25 5.995 -11.189 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU B 25 5.463 -12.776 -1.992 1.00 0.00 H new ATOM 0 HG LEU B 25 7.444 -13.757 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU B 25 9.336 -12.268 -3.697 1.00 0.00 H new ATOM 0 HD12 LEU B 25 7.926 -11.933 -4.730 1.00 0.00 H new ATOM 0 HD13 LEU B 25 8.305 -10.856 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU B 25 9.044 -13.079 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU B 25 7.982 -11.713 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU B 25 7.418 -13.384 -0.756 1.00 0.00 H new ATOM 1347 N GLU B 26 6.607 -11.412 -5.784 1.00 0.00 N ATOM 1348 CA GLU B 26 6.967 -10.401 -6.755 1.00 0.00 C ATOM 1349 C GLU B 26 5.817 -10.238 -7.737 1.00 0.00 C ATOM 1350 O GLU B 26 5.635 -9.182 -8.339 1.00 0.00 O ATOM 1351 CB GLU B 26 8.266 -10.767 -7.474 1.00 0.00 C ATOM 1352 CG GLU B 26 8.631 -9.810 -8.599 1.00 0.00 C ATOM 1353 CD GLU B 26 9.929 -10.188 -9.288 1.00 0.00 C ATOM 1354 OE1 GLU B 26 10.973 -10.227 -8.604 1.00 0.00 O ATOM 1355 OE2 GLU B 26 9.899 -10.447 -10.510 1.00 0.00 O ATOM 0 H GLU B 26 7.258 -12.194 -5.712 1.00 0.00 H new ATOM 0 HA GLU B 26 7.144 -9.453 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU B 26 9.079 -10.788 -6.749 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.175 -11.774 -7.881 1.00 0.00 H new ATOM 0 HG2 GLU B 26 7.825 -9.794 -9.333 1.00 0.00 H new ATOM 0 HG3 GLU B 26 8.717 -8.800 -8.198 1.00 0.00 H new ATOM 1362 N GLU B 27 5.024 -11.299 -7.863 1.00 0.00 N ATOM 1363 CA GLU B 27 3.866 -11.291 -8.741 1.00 0.00 C ATOM 1364 C GLU B 27 2.660 -10.661 -8.048 1.00 0.00 C ATOM 1365 O GLU B 27 2.080 -9.699 -8.546 1.00 0.00 O ATOM 1366 CB GLU B 27 3.529 -12.719 -9.176 1.00 0.00 C ATOM 1367 CG GLU B 27 2.236 -12.829 -9.967 1.00 0.00 C ATOM 1368 CD GLU B 27 2.291 -12.102 -11.299 1.00 0.00 C ATOM 1369 OE1 GLU B 27 3.357 -11.540 -11.627 1.00 0.00 O ATOM 1370 OE2 GLU B 27 1.267 -12.098 -12.015 1.00 0.00 O ATOM 0 H GLU B 27 5.167 -12.177 -7.364 1.00 0.00 H new ATOM 0 HA GLU B 27 4.108 -10.693 -9.620 1.00 0.00 H new ATOM 0 HB2 GLU B 27 4.348 -13.108 -9.781 1.00 0.00 H new ATOM 0 HB3 GLU B 27 3.458 -13.351 -8.291 1.00 0.00 H new ATOM 0 HG2 GLU B 27 2.013 -13.881 -10.143 1.00 0.00 H new ATOM 0 HG3 GLU B 27 1.417 -12.424 -9.372 1.00 0.00 H new ATOM 1377 N MET B 28 2.279 -11.225 -6.903 1.00 0.00 N ATOM 1378 CA MET B 28 1.130 -10.740 -6.143 1.00 0.00 C ATOM 1379 C MET B 28 1.510 -9.653 -5.135 1.00 0.00 C ATOM 1380 O MET B 28 0.827 -8.638 -5.019 1.00 0.00 O ATOM 1381 CB MET B 28 0.450 -11.901 -5.418 1.00 0.00 C ATOM 1382 CG MET B 28 -0.069 -12.982 -6.353 1.00 0.00 C ATOM 1383 SD MET B 28 -0.873 -14.336 -5.474 1.00 0.00 S ATOM 1384 CE MET B 28 -1.356 -15.386 -6.841 1.00 0.00 C ATOM 0 H MET B 28 2.753 -12.023 -6.480 1.00 0.00 H new ATOM 0 HA MET B 28 0.440 -10.294 -6.859 1.00 0.00 H new ATOM 0 HB2 MET B 28 1.158 -12.346 -4.719 1.00 0.00 H new ATOM 0 HB3 MET B 28 -0.380 -11.513 -4.828 1.00 0.00 H new ATOM 0 HG2 MET B 28 -0.776 -12.540 -7.056 1.00 0.00 H new ATOM 0 HG3 MET B 28 0.760 -13.377 -6.940 1.00 0.00 H new ATOM 0 HE1 MET B 28 -1.867 -16.269 -6.458 1.00 0.00 H new ATOM 0 HE2 MET B 28 -2.026 -14.837 -7.503 1.00 0.00 H new ATOM 0 HE3 MET B 28 -0.469 -15.692 -7.396 1.00 0.00 H new ATOM 1394 N LEU B 29 2.596 -9.881 -4.404 1.00 0.00 N ATOM 1395 CA LEU B 29 3.063 -8.924 -3.396 1.00 0.00 C ATOM 1396 C LEU B 29 3.359 -7.569 -4.035 1.00 0.00 C ATOM 1397 O LEU B 29 3.205 -6.525 -3.401 1.00 0.00 O ATOM 1398 CB LEU B 29 4.290 -9.494 -2.658 1.00 0.00 C ATOM 1399 CG LEU B 29 4.992 -8.563 -1.666 1.00 0.00 C ATOM 1400 CD1 LEU B 29 4.057 -8.177 -0.541 1.00 0.00 C ATOM 1401 CD2 LEU B 29 6.228 -9.243 -1.096 1.00 0.00 C ATOM 0 H LEU B 29 3.172 -10.719 -4.487 1.00 0.00 H new ATOM 0 HA LEU B 29 2.275 -8.765 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU B 29 3.978 -10.390 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU B 29 5.020 -9.808 -3.404 1.00 0.00 H new ATOM 0 HG LEU B 29 5.291 -7.659 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.576 -7.515 0.153 1.00 0.00 H new ATOM 0 HD12 LEU B 29 3.187 -7.663 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU B 29 3.733 -9.074 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU B 29 6.720 -8.572 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU B 29 5.935 -10.158 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU B 29 6.916 -9.486 -1.906 1.00 0.00 H new ATOM 1413 N GLU B 30 3.748 -7.591 -5.305 1.00 0.00 N ATOM 1414 CA GLU B 30 4.028 -6.362 -6.043 1.00 0.00 C ATOM 1415 C GLU B 30 2.734 -5.612 -6.338 1.00 0.00 C ATOM 1416 O GLU B 30 2.714 -4.383 -6.415 1.00 0.00 O ATOM 1417 CB GLU B 30 4.751 -6.673 -7.355 1.00 0.00 C ATOM 1418 CG GLU B 30 4.965 -5.452 -8.237 1.00 0.00 C ATOM 1419 CD GLU B 30 5.655 -5.789 -9.545 1.00 0.00 C ATOM 1420 OE1 GLU B 30 6.786 -6.318 -9.500 1.00 0.00 O ATOM 1421 OE2 GLU B 30 5.064 -5.525 -10.613 1.00 0.00 O ATOM 0 H GLU B 30 3.877 -8.446 -5.846 1.00 0.00 H new ATOM 0 HA GLU B 30 4.671 -5.736 -5.425 1.00 0.00 H new ATOM 0 HB2 GLU B 30 5.718 -7.122 -7.129 1.00 0.00 H new ATOM 0 HB3 GLU B 30 4.177 -7.415 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU B 30 4.002 -4.988 -8.448 1.00 0.00 H new ATOM 0 HG3 GLU B 30 5.561 -4.717 -7.695 1.00 0.00 H new ATOM 1428 N LYS B 31 1.652 -6.362 -6.510 1.00 0.00 N ATOM 1429 CA LYS B 31 0.353 -5.771 -6.800 1.00 0.00 C ATOM 1430 C LYS B 31 -0.338 -5.404 -5.505 1.00 0.00 C ATOM 1431 O LYS B 31 -1.152 -4.484 -5.447 1.00 0.00 O ATOM 1432 CB LYS B 31 -0.496 -6.745 -7.604 1.00 0.00 C ATOM 1433 CG LYS B 31 0.316 -7.495 -8.638 1.00 0.00 C ATOM 1434 CD LYS B 31 1.006 -6.548 -9.611 1.00 0.00 C ATOM 1435 CE LYS B 31 1.955 -7.293 -10.535 1.00 0.00 C ATOM 1436 NZ LYS B 31 2.587 -6.386 -11.531 1.00 0.00 N ATOM 0 H LYS B 31 1.649 -7.380 -6.454 1.00 0.00 H new ATOM 0 HA LYS B 31 0.491 -4.867 -7.393 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -0.966 -7.458 -6.927 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -1.299 -6.200 -8.101 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.064 -8.110 -8.137 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -0.335 -8.172 -9.190 1.00 0.00 H new ATOM 0 HD2 LYS B 31 0.256 -6.024 -10.204 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.558 -5.791 -9.054 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.731 -7.779 -9.943 1.00 0.00 H new ATOM 0 HE3 LYS B 31 1.411 -8.081 -11.056 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 2.807 -6.920 -12.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.932 -5.611 -11.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 3.464 -5.992 -11.135 1.00 0.00 H new ATOM 1450 N LEU B 32 0.008 -6.138 -4.464 1.00 0.00 N ATOM 1451 CA LEU B 32 -0.547 -5.905 -3.152 1.00 0.00 C ATOM 1452 C LEU B 32 -0.048 -4.575 -2.615 1.00 0.00 C ATOM 1453 O LEU B 32 -0.702 -3.933 -1.793 1.00 0.00 O ATOM 1454 CB LEU B 32 -0.166 -7.032 -2.212 1.00 0.00 C ATOM 1455 CG LEU B 32 -0.900 -7.002 -0.874 1.00 0.00 C ATOM 1456 CD1 LEU B 32 -2.402 -6.899 -1.081 1.00 0.00 C ATOM 1457 CD2 LEU B 32 -0.558 -8.224 -0.053 1.00 0.00 C ATOM 0 H LEU B 32 0.677 -6.906 -4.507 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.634 -5.872 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.367 -7.984 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.907 -6.989 -2.027 1.00 0.00 H new ATOM 0 HG LEU B 32 -0.573 -6.117 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.902 -6.879 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.632 -5.984 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.750 -7.760 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -1.091 -8.185 0.897 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.852 -9.122 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.516 -8.248 0.134 1.00 0.00 H new ATOM 1469 N GLU B 33 1.117 -4.160 -3.094 1.00 0.00 N ATOM 1470 CA GLU B 33 1.684 -2.889 -2.669 1.00 0.00 C ATOM 1471 C GLU B 33 1.093 -1.765 -3.504 1.00 0.00 C ATOM 1472 O GLU B 33 0.860 -0.670 -2.999 1.00 0.00 O ATOM 1473 CB GLU B 33 3.211 -2.880 -2.767 1.00 0.00 C ATOM 1474 CG GLU B 33 3.741 -2.954 -4.190 1.00 0.00 C ATOM 1475 CD GLU B 33 5.231 -2.683 -4.277 1.00 0.00 C ATOM 1476 OE1 GLU B 33 5.664 -1.596 -3.842 1.00 0.00 O ATOM 1477 OE2 GLU B 33 5.963 -3.557 -4.786 1.00 0.00 O ATOM 0 H GLU B 33 1.681 -4.677 -3.768 1.00 0.00 H new ATOM 0 HA GLU B 33 1.430 -2.741 -1.620 1.00 0.00 H new ATOM 0 HB2 GLU B 33 3.589 -1.973 -2.296 1.00 0.00 H new ATOM 0 HB3 GLU B 33 3.606 -3.722 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU B 33 3.531 -3.942 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU B 33 3.208 -2.232 -4.809 1.00 0.00 H new ATOM 1484 N VAL B 34 0.838 -2.047 -4.784 1.00 0.00 N ATOM 1485 CA VAL B 34 0.255 -1.050 -5.669 1.00 0.00 C ATOM 1486 C VAL B 34 -1.206 -0.815 -5.308 1.00 0.00 C ATOM 1487 O VAL B 34 -1.681 0.323 -5.336 1.00 0.00 O ATOM 1488 CB VAL B 34 0.367 -1.426 -7.162 1.00 0.00 C ATOM 1489 CG1 VAL B 34 1.814 -1.703 -7.537 1.00 0.00 C ATOM 1490 CG2 VAL B 34 -0.520 -2.609 -7.505 1.00 0.00 C ATOM 0 H VAL B 34 1.025 -2.949 -5.222 1.00 0.00 H new ATOM 0 HA VAL B 34 0.829 -0.135 -5.525 1.00 0.00 H new ATOM 0 HB VAL B 34 0.018 -0.576 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL B 34 1.872 -1.966 -8.593 1.00 0.00 H new ATOM 0 HG12 VAL B 34 2.415 -0.813 -7.351 1.00 0.00 H new ATOM 0 HG13 VAL B 34 2.194 -2.529 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -0.416 -2.847 -8.564 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -0.223 -3.472 -6.909 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -1.559 -2.359 -7.289 1.00 0.00 H new ATOM 1500 N VAL B 35 -1.916 -1.888 -4.936 1.00 0.00 N ATOM 1501 CA VAL B 35 -3.313 -1.746 -4.541 1.00 0.00 C ATOM 1502 C VAL B 35 -3.394 -0.726 -3.427 1.00 0.00 C ATOM 1503 O VAL B 35 -4.202 0.198 -3.462 1.00 0.00 O ATOM 1504 CB VAL B 35 -3.956 -3.062 -4.032 1.00 0.00 C ATOM 1505 CG1 VAL B 35 -4.141 -4.077 -5.140 1.00 0.00 C ATOM 1506 CG2 VAL B 35 -3.147 -3.662 -2.903 1.00 0.00 C ATOM 0 H VAL B 35 -1.552 -2.840 -4.902 1.00 0.00 H new ATOM 0 HA VAL B 35 -3.862 -1.441 -5.432 1.00 0.00 H new ATOM 0 HB VAL B 35 -4.945 -2.801 -3.657 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -4.594 -4.981 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -4.790 -3.660 -5.910 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -3.172 -4.321 -5.575 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -3.621 -4.584 -2.566 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -2.138 -3.880 -3.254 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -3.098 -2.955 -2.075 1.00 0.00 H new ATOM 1516 N VAL B 36 -2.523 -0.897 -2.440 1.00 0.00 N ATOM 1517 CA VAL B 36 -2.472 0.010 -1.315 1.00 0.00 C ATOM 1518 C VAL B 36 -1.658 1.244 -1.659 1.00 0.00 C ATOM 1519 O VAL B 36 -1.786 2.263 -1.020 1.00 0.00 O ATOM 1520 CB VAL B 36 -1.917 -0.656 -0.045 1.00 0.00 C ATOM 1521 CG1 VAL B 36 -0.409 -0.838 -0.121 1.00 0.00 C ATOM 1522 CG2 VAL B 36 -2.334 0.135 1.182 1.00 0.00 C ATOM 0 H VAL B 36 -1.845 -1.658 -2.402 1.00 0.00 H new ATOM 0 HA VAL B 36 -3.500 0.305 -1.102 1.00 0.00 H new ATOM 0 HB VAL B 36 -2.344 -1.656 0.036 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.053 -1.311 0.794 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.161 -1.468 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL B 36 0.070 0.135 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -1.936 -0.344 2.076 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -1.944 1.150 1.110 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -3.422 0.168 1.241 1.00 0.00 H new ATOM 1532 N ASN B 37 -0.824 1.156 -2.682 1.00 0.00 N ATOM 1533 CA ASN B 37 -0.027 2.307 -3.087 1.00 0.00 C ATOM 1534 C ASN B 37 -0.958 3.463 -3.416 1.00 0.00 C ATOM 1535 O ASN B 37 -0.679 4.619 -3.100 1.00 0.00 O ATOM 1536 CB ASN B 37 0.846 1.961 -4.294 1.00 0.00 C ATOM 1537 CG ASN B 37 1.616 3.152 -4.824 1.00 0.00 C ATOM 1538 OD1 ASN B 37 2.378 3.790 -4.095 1.00 0.00 O ATOM 1539 ND2 ASN B 37 1.426 3.453 -6.104 1.00 0.00 N ATOM 0 H ASN B 37 -0.681 0.315 -3.241 1.00 0.00 H new ATOM 0 HA ASN B 37 0.634 2.594 -2.269 1.00 0.00 H new ATOM 0 HB2 ASN B 37 1.548 1.175 -4.015 1.00 0.00 H new ATOM 0 HB3 ASN B 37 0.217 1.559 -5.088 1.00 0.00 H new ATOM 0 HD21 ASN B 37 1.921 4.241 -6.522 1.00 0.00 H new ATOM 0 HD22 ASN B 37 0.785 2.896 -6.669 1.00 0.00 H new ATOM 1546 N GLU B 38 -2.084 3.124 -4.034 1.00 0.00 N ATOM 1547 CA GLU B 38 -3.089 4.112 -4.394 1.00 0.00 C ATOM 1548 C GLU B 38 -3.855 4.568 -3.157 1.00 0.00 C ATOM 1549 O GLU B 38 -4.157 5.750 -3.002 1.00 0.00 O ATOM 1550 CB GLU B 38 -4.063 3.533 -5.421 1.00 0.00 C ATOM 1551 CG GLU B 38 -3.394 3.078 -6.708 1.00 0.00 C ATOM 1552 CD GLU B 38 -4.378 2.502 -7.705 1.00 0.00 C ATOM 1553 OE1 GLU B 38 -5.043 1.498 -7.371 1.00 0.00 O ATOM 1554 OE2 GLU B 38 -4.486 3.054 -8.821 1.00 0.00 O ATOM 0 H GLU B 38 -2.322 2.168 -4.296 1.00 0.00 H new ATOM 0 HA GLU B 38 -2.581 4.971 -4.832 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -4.587 2.687 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -4.816 4.285 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -2.876 3.923 -7.162 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -2.638 2.328 -6.475 1.00 0.00 H new ATOM 1561 N ARG B 39 -4.165 3.617 -2.277 1.00 0.00 N ATOM 1562 CA ARG B 39 -4.896 3.921 -1.046 1.00 0.00 C ATOM 1563 C ARG B 39 -3.984 4.601 -0.029 1.00 0.00 C ATOM 1564 O ARG B 39 -4.330 5.624 0.553 1.00 0.00 O ATOM 1565 CB ARG B 39 -5.491 2.646 -0.443 1.00 0.00 C ATOM 1566 CG ARG B 39 -6.684 2.098 -1.207 1.00 0.00 C ATOM 1567 CD ARG B 39 -6.316 1.662 -2.612 1.00 0.00 C ATOM 1568 NE ARG B 39 -7.434 1.801 -3.539 1.00 0.00 N ATOM 1569 CZ ARG B 39 -7.981 2.973 -3.852 1.00 0.00 C ATOM 1570 NH1 ARG B 39 -7.504 4.091 -3.319 1.00 0.00 N ATOM 1571 NH2 ARG B 39 -9.002 3.028 -4.694 1.00 0.00 N ATOM 0 H ARG B 39 -3.923 2.633 -2.392 1.00 0.00 H new ATOM 0 HA ARG B 39 -5.708 4.603 -1.297 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -4.716 1.880 -0.402 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -5.793 2.849 0.584 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -7.103 1.251 -0.664 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -7.462 2.860 -1.257 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -5.475 2.257 -2.967 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -5.987 0.623 -2.594 1.00 0.00 H new ATOM 0 HE ARG B 39 -7.815 0.958 -3.968 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -6.718 4.052 -2.670 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -7.923 4.990 -3.559 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -9.371 2.170 -5.105 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -9.419 3.928 -4.932 1.00 0.00 H new ATOM 1585 N ARG B 40 -2.815 4.025 0.166 1.00 0.00 N ATOM 1586 CA ARG B 40 -1.831 4.565 1.094 1.00 0.00 C ATOM 1587 C ARG B 40 -1.693 6.069 0.891 1.00 0.00 C ATOM 1588 O ARG B 40 -1.584 6.830 1.851 1.00 0.00 O ATOM 1589 CB ARG B 40 -0.469 3.881 0.888 1.00 0.00 C ATOM 1590 CG ARG B 40 -0.157 2.767 1.879 1.00 0.00 C ATOM 1591 CD ARG B 40 -0.225 3.259 3.318 1.00 0.00 C ATOM 1592 NE ARG B 40 0.355 4.594 3.482 1.00 0.00 N ATOM 1593 CZ ARG B 40 1.587 4.928 3.104 1.00 0.00 C ATOM 1594 NH1 ARG B 40 2.375 4.038 2.519 1.00 0.00 N ATOM 1595 NH2 ARG B 40 2.028 6.162 3.308 1.00 0.00 N ATOM 0 H ARG B 40 -2.517 3.173 -0.310 1.00 0.00 H new ATOM 0 HA ARG B 40 -2.169 4.372 2.112 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -0.433 3.471 -0.121 1.00 0.00 H new ATOM 0 HB3 ARG B 40 0.314 4.636 0.953 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -0.863 1.948 1.740 1.00 0.00 H new ATOM 0 HG3 ARG B 40 0.837 2.368 1.677 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -1.265 3.276 3.644 1.00 0.00 H new ATOM 0 HD3 ARG B 40 0.301 2.556 3.964 1.00 0.00 H new ATOM 0 HE ARG B 40 -0.223 5.315 3.914 1.00 0.00 H new ATOM 0 HH11 ARG B 40 2.039 3.089 2.355 1.00 0.00 H new ATOM 0 HH12 ARG B 40 3.318 4.302 2.232 1.00 0.00 H new ATOM 0 HH21 ARG B 40 1.424 6.852 3.754 1.00 0.00 H new ATOM 0 HH22 ARG B 40 2.972 6.421 3.019 1.00 0.00 H new ATOM 1609 N GLU B 41 -1.692 6.487 -0.372 1.00 0.00 N ATOM 1610 CA GLU B 41 -1.558 7.901 -0.713 1.00 0.00 C ATOM 1611 C GLU B 41 -2.902 8.642 -0.727 1.00 0.00 C ATOM 1612 O GLU B 41 -3.005 9.754 -0.209 1.00 0.00 O ATOM 1613 CB GLU B 41 -0.880 8.046 -2.076 1.00 0.00 C ATOM 1614 CG GLU B 41 0.515 7.441 -2.131 1.00 0.00 C ATOM 1615 CD GLU B 41 1.165 7.589 -3.493 1.00 0.00 C ATOM 1616 OE1 GLU B 41 0.523 8.162 -4.399 1.00 0.00 O ATOM 1617 OE2 GLU B 41 2.315 7.132 -3.654 1.00 0.00 O ATOM 0 H GLU B 41 -1.782 5.867 -1.177 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.946 8.357 0.066 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -1.503 7.571 -2.834 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -0.818 9.104 -2.331 1.00 0.00 H new ATOM 0 HG2 GLU B 41 1.143 7.919 -1.379 1.00 0.00 H new ATOM 0 HG3 GLU B 41 0.458 6.383 -1.873 1.00 0.00 H new ATOM 1624 N GLU B 42 -3.919 8.041 -1.345 1.00 0.00 N ATOM 1625 CA GLU B 42 -5.236 8.676 -1.452 1.00 0.00 C ATOM 1626 C GLU B 42 -6.128 8.376 -0.252 1.00 0.00 C ATOM 1627 O GLU B 42 -6.767 9.272 0.299 1.00 0.00 O ATOM 1628 CB GLU B 42 -5.933 8.225 -2.737 1.00 0.00 C ATOM 1629 CG GLU B 42 -5.171 8.577 -4.005 1.00 0.00 C ATOM 1630 CD GLU B 42 -5.027 10.073 -4.211 1.00 0.00 C ATOM 1631 OE1 GLU B 42 -4.401 10.734 -3.357 1.00 0.00 O ATOM 1632 OE2 GLU B 42 -5.540 10.583 -5.229 1.00 0.00 O ATOM 0 H GLU B 42 -3.859 7.119 -1.778 1.00 0.00 H new ATOM 0 HA GLU B 42 -5.070 9.753 -1.475 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -6.079 7.145 -2.700 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -6.923 8.680 -2.781 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -4.180 8.124 -3.965 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -5.685 8.145 -4.864 1.00 0.00 H new ATOM 1639 N GLU B 43 -6.183 7.112 0.137 1.00 0.00 N ATOM 1640 CA GLU B 43 -7.012 6.698 1.260 1.00 0.00 C ATOM 1641 C GLU B 43 -6.554 7.361 2.550 1.00 0.00 C ATOM 1642 O GLU B 43 -7.368 7.915 3.293 1.00 0.00 O ATOM 1643 CB GLU B 43 -7.007 5.181 1.398 1.00 0.00 C ATOM 1644 CG GLU B 43 -7.811 4.671 2.586 1.00 0.00 C ATOM 1645 CD GLU B 43 -9.239 5.189 2.629 1.00 0.00 C ATOM 1646 OE1 GLU B 43 -9.638 5.939 1.714 1.00 0.00 O ATOM 1647 OE2 GLU B 43 -9.962 4.839 3.585 1.00 0.00 O ATOM 0 H GLU B 43 -5.664 6.355 -0.307 1.00 0.00 H new ATOM 0 HA GLU B 43 -8.035 7.021 1.064 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -7.407 4.741 0.484 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.977 4.837 1.493 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.830 3.582 2.559 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.303 4.958 3.507 1.00 0.00 H new ATOM 1654 N SER B 44 -5.247 7.337 2.802 1.00 0.00 N ATOM 1655 CA SER B 44 -4.708 7.979 3.990 1.00 0.00 C ATOM 1656 C SER B 44 -5.074 9.452 3.943 1.00 0.00 C ATOM 1657 O SER B 44 -5.317 10.087 4.970 1.00 0.00 O ATOM 1658 CB SER B 44 -3.188 7.811 4.061 1.00 0.00 C ATOM 1659 OG SER B 44 -2.659 8.439 5.215 1.00 0.00 O ATOM 0 H SER B 44 -4.553 6.886 2.206 1.00 0.00 H new ATOM 0 HA SER B 44 -5.131 7.514 4.880 1.00 0.00 H new ATOM 0 HB2 SER B 44 -2.936 6.751 4.073 1.00 0.00 H new ATOM 0 HB3 SER B 44 -2.730 8.238 3.169 1.00 0.00 H new ATOM 0 HG SER B 44 -1.687 8.316 5.238 1.00 0.00 H new ATOM 1665 N ALA B 45 -5.133 9.970 2.720 1.00 0.00 N ATOM 1666 CA ALA B 45 -5.495 11.355 2.476 1.00 0.00 C ATOM 1667 C ALA B 45 -6.943 11.601 2.881 1.00 0.00 C ATOM 1668 O ALA B 45 -7.265 12.622 3.484 1.00 0.00 O ATOM 1669 CB ALA B 45 -5.285 11.691 1.007 1.00 0.00 C ATOM 0 H ALA B 45 -4.931 9.439 1.873 1.00 0.00 H new ATOM 0 HA ALA B 45 -4.857 12.002 3.078 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -5.558 12.731 0.829 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -4.238 11.541 0.746 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -5.909 11.042 0.393 1.00 0.00 H new ATOM 1675 N ALA B 46 -7.812 10.645 2.552 1.00 0.00 N ATOM 1676 CA ALA B 46 -9.226 10.743 2.888 1.00 0.00 C ATOM 1677 C ALA B 46 -9.413 10.775 4.400 1.00 0.00 C ATOM 1678 O ALA B 46 -10.237 11.526 4.922 1.00 0.00 O ATOM 1679 CB ALA B 46 -9.994 9.573 2.286 1.00 0.00 C ATOM 0 H ALA B 46 -7.557 9.793 2.052 1.00 0.00 H new ATOM 0 HA ALA B 46 -9.618 11.671 2.471 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -11.049 9.659 2.545 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.884 9.585 1.202 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -9.599 8.637 2.680 1.00 0.00 H new