USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 545 hydrogens (10 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 Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -1.94 K(o=-1.9,f=-3.6!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 118:sc= 1.2 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.519 K(o=-0.52,f=-3.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= -5.05 K(o=-5,f=-10!) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.0513 (180deg=-0.503) USER MOD Single : A 33 GLN : amide:sc=-0.00175 X(o=-0.0018,f=-0.16) USER MOD Single : B 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.093) USER MOD Single : B 10 ASN : amide:sc= -3.17 K(o=-3.2,f=-7.1!) USER MOD Single : B 12 THR OG1 : rot -93:sc= 0.269 USER MOD Single : B 13 HIS : no HE2:sc= -5.33 K(o=-5.3,f=-6.3!) USER MOD Single : B 14 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.8!) USER MOD Single : B 15 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.14) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.0643 K(o=-0.064,f=-0.98) USER MOD Single : B 24 ASN : amide:sc= -4.01 K(o=-4,f=-15!) USER MOD Single : B 29 GLN : amide:sc= -0.582 K(o=-0.58,f=-4.1!) USER MOD Single : B 30 GLN : amide:sc= -0.527 K(o=-0.53,f=-4!) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 -4.152 21.692 3.645 1.00 0.00 C HETATM 2 O ACE A 2 -3.638 20.722 4.203 1.00 0.00 O HETATM 3 CH3 ACE A 2 -5.584 22.112 3.960 1.00 0.00 C HETATM 0 H1 ACE A 2 -5.587 23.131 4.348 1.00 0.00 H new HETATM 0 H2 ACE A 2 -6.184 22.068 3.051 1.00 0.00 H new HETATM 0 H3 ACE A 2 -6.005 21.438 4.706 1.00 0.00 H new ATOM 7 N CYS A 3 -3.513 22.435 2.747 1.00 0.00 N ATOM 8 CA CYS A 3 -2.138 22.134 2.362 1.00 0.00 C ATOM 9 C CYS A 3 -1.157 22.880 3.261 1.00 0.00 C ATOM 10 O CYS A 3 -1.112 24.111 3.269 1.00 0.00 O ATOM 11 CB CYS A 3 -1.885 22.538 0.908 1.00 0.00 C ATOM 12 SG CYS A 3 -2.433 21.208 -0.191 1.00 0.00 S ATOM 0 H CYS A 3 -3.920 23.243 2.276 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.988 21.060 2.471 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.420 23.459 0.677 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -0.825 22.738 0.754 1.00 0.00 H new ATOM 17 N GLY A 4 -0.373 22.120 4.019 1.00 0.00 N ATOM 18 CA GLY A 4 0.608 22.715 4.923 1.00 0.00 C ATOM 19 C GLY A 4 1.853 21.841 5.021 1.00 0.00 C ATOM 20 O GLY A 4 2.910 22.177 4.487 1.00 0.00 O ATOM 0 H GLY A 4 -0.396 21.100 4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.882 23.708 4.567 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.168 22.841 5.912 1.00 0.00 H new ATOM 24 N GLY A 5 1.712 20.710 5.707 1.00 0.00 N ATOM 25 CA GLY A 5 2.831 19.786 5.870 1.00 0.00 C ATOM 26 C GLY A 5 2.692 18.600 4.923 1.00 0.00 C ATOM 27 O GLY A 5 3.095 17.481 5.240 1.00 0.00 O ATOM 0 H GLY A 5 0.845 20.413 6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.769 20.305 5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.870 19.433 6.900 1.00 0.00 H new ATOM 31 N VAL A 6 2.114 18.859 3.753 1.00 0.00 N ATOM 32 CA VAL A 6 1.921 17.808 2.757 1.00 0.00 C ATOM 33 C VAL A 6 3.267 17.239 2.315 1.00 0.00 C ATOM 34 O VAL A 6 3.381 16.056 1.994 1.00 0.00 O ATOM 35 CB VAL A 6 1.184 18.355 1.532 1.00 0.00 C ATOM 36 CG1 VAL A 6 0.817 17.200 0.596 1.00 0.00 C ATOM 37 CG2 VAL A 6 -0.095 19.068 1.980 1.00 0.00 C ATOM 0 H VAL A 6 1.774 19.779 3.473 1.00 0.00 H new ATOM 0 HA VAL A 6 1.324 17.019 3.214 1.00 0.00 H new ATOM 0 HB VAL A 6 1.830 19.059 1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.292 17.591 -0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.725 16.690 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.172 16.496 1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.619 19.457 1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.739 18.363 2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.162 19.892 2.646 1.00 0.00 H new ATOM 47 N GLN A 7 4.285 18.094 2.304 1.00 0.00 N ATOM 48 CA GLN A 7 5.622 17.667 1.900 1.00 0.00 C ATOM 49 C GLN A 7 6.142 16.585 2.839 1.00 0.00 C ATOM 50 O GLN A 7 6.765 15.614 2.407 1.00 0.00 O ATOM 51 CB GLN A 7 6.591 18.851 1.917 1.00 0.00 C ATOM 52 CG GLN A 7 7.823 18.515 1.074 1.00 0.00 C ATOM 53 CD GLN A 7 8.615 19.787 0.797 1.00 0.00 C ATOM 54 OE1 GLN A 7 8.887 20.118 -0.357 1.00 0.00 O ATOM 55 NE2 GLN A 7 9.005 20.529 1.798 1.00 0.00 N ATOM 0 H GLN A 7 4.213 19.077 2.567 1.00 0.00 H new ATOM 0 HA GLN A 7 5.556 17.268 0.888 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.100 19.742 1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.888 19.076 2.941 1.00 0.00 H new ATOM 0 HG2 GLN A 7 8.448 17.792 1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.519 18.052 0.135 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.780 20.255 2.754 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.535 21.383 1.624 1.00 0.00 H new ATOM 64 N ALA A 8 5.879 16.762 4.131 1.00 0.00 N ATOM 65 CA ALA A 8 6.323 15.794 5.130 1.00 0.00 C ATOM 66 C ALA A 8 5.337 14.633 5.223 1.00 0.00 C ATOM 67 O ALA A 8 5.728 13.482 5.418 1.00 0.00 O ATOM 68 CB ALA A 8 6.442 16.457 6.502 1.00 0.00 C ATOM 0 H ALA A 8 5.366 17.559 4.508 1.00 0.00 H new ATOM 0 HA ALA A 8 7.299 15.418 4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.774 15.721 7.234 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.166 17.270 6.451 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.471 16.853 6.800 1.00 0.00 H new ATOM 74 N GLU A 9 4.053 14.950 5.078 1.00 0.00 N ATOM 75 CA GLU A 9 3.014 13.927 5.147 1.00 0.00 C ATOM 76 C GLU A 9 3.102 12.995 3.943 1.00 0.00 C ATOM 77 O GLU A 9 3.137 11.773 4.086 1.00 0.00 O ATOM 78 CB GLU A 9 1.627 14.574 5.176 1.00 0.00 C ATOM 79 CG GLU A 9 0.589 13.536 5.604 1.00 0.00 C ATOM 80 CD GLU A 9 -0.796 13.984 5.149 1.00 0.00 C ATOM 81 OE1 GLU A 9 -1.370 14.832 5.811 1.00 0.00 O ATOM 82 OE2 GLU A 9 -1.262 13.472 4.144 1.00 0.00 O ATOM 0 H GLU A 9 3.710 15.896 4.914 1.00 0.00 H new ATOM 0 HA GLU A 9 3.167 13.354 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.621 15.416 5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.377 14.969 4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.830 12.565 5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.606 13.414 6.687 1.00 0.00 H new ATOM 89 N GLU A 10 3.140 13.588 2.753 1.00 0.00 N ATOM 90 CA GLU A 10 3.224 12.804 1.524 1.00 0.00 C ATOM 91 C GLU A 10 4.518 11.994 1.496 1.00 0.00 C ATOM 92 O GLU A 10 4.567 10.895 0.946 1.00 0.00 O ATOM 93 CB GLU A 10 3.183 13.720 0.298 1.00 0.00 C ATOM 94 CG GLU A 10 2.595 12.957 -0.890 1.00 0.00 C ATOM 95 CD GLU A 10 2.719 13.806 -2.151 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.292 14.948 -2.117 1.00 0.00 O ATOM 97 OE2 GLU A 10 3.239 13.301 -3.132 1.00 0.00 O ATOM 0 H GLU A 10 3.114 14.598 2.613 1.00 0.00 H new ATOM 0 HA GLU A 10 2.370 12.127 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.581 14.603 0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.187 14.069 0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.119 12.010 -1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.548 12.718 -0.701 1.00 0.00 H new ATOM 104 N GLN A 11 5.565 12.552 2.098 1.00 0.00 N ATOM 105 CA GLN A 11 6.858 11.873 2.139 1.00 0.00 C ATOM 106 C GLN A 11 6.741 10.544 2.881 1.00 0.00 C ATOM 107 O GLN A 11 7.352 9.546 2.498 1.00 0.00 O ATOM 108 CB GLN A 11 7.900 12.746 2.841 1.00 0.00 C ATOM 109 CG GLN A 11 8.610 13.625 1.810 1.00 0.00 C ATOM 110 CD GLN A 11 9.423 14.698 2.527 1.00 0.00 C ATOM 111 OE1 GLN A 11 9.429 15.859 2.118 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.118 14.376 3.584 1.00 0.00 N ATOM 0 H GLN A 11 5.546 13.462 2.559 1.00 0.00 H new ATOM 0 HA GLN A 11 7.172 11.688 1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.419 13.369 3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.625 12.119 3.360 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.263 13.016 1.186 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.879 14.090 1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.114 13.414 3.924 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.665 15.086 4.070 1.00 0.00 H new ATOM 121 N LYS A 12 5.945 10.545 3.946 1.00 0.00 N ATOM 122 CA LYS A 12 5.749 9.335 4.739 1.00 0.00 C ATOM 123 C LYS A 12 4.680 8.451 4.105 1.00 0.00 C ATOM 124 O LYS A 12 4.743 7.222 4.181 1.00 0.00 O ATOM 125 CB LYS A 12 5.318 9.691 6.164 1.00 0.00 C ATOM 126 CG LYS A 12 6.556 9.967 7.019 1.00 0.00 C ATOM 127 CD LYS A 12 6.186 10.913 8.163 1.00 0.00 C ATOM 128 CE LYS A 12 7.287 10.884 9.225 1.00 0.00 C ATOM 129 NZ LYS A 12 6.938 9.887 10.278 1.00 0.00 N ATOM 0 H LYS A 12 5.430 11.361 4.278 1.00 0.00 H new ATOM 0 HA LYS A 12 6.696 8.797 4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.670 10.567 6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.740 8.873 6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.951 9.033 7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.342 10.409 6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.058 11.927 7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.234 10.615 8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.242 10.626 8.767 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.404 11.872 9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.687 9.868 11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.036 10.153 10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.848 8.945 9.848 1.00 0.00 H new ATOM 143 N LEU A 13 3.698 9.088 3.475 1.00 0.00 N ATOM 144 CA LEU A 13 2.616 8.353 2.828 1.00 0.00 C ATOM 145 C LEU A 13 3.151 7.543 1.651 1.00 0.00 C ATOM 146 O LEU A 13 2.843 6.362 1.497 1.00 0.00 O ATOM 147 CB LEU A 13 1.541 9.315 2.321 1.00 0.00 C ATOM 148 CG LEU A 13 0.555 9.619 3.451 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.397 10.733 3.012 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.252 8.359 3.776 1.00 0.00 C ATOM 0 H LEU A 13 3.629 10.103 3.399 1.00 0.00 H new ATOM 0 HA LEU A 13 2.181 7.679 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.001 10.238 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.015 8.876 1.473 1.00 0.00 H new ATOM 0 HG LEU A 13 1.105 9.938 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.099 10.950 3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.176 11.631 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.947 10.414 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.955 8.575 4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.801 8.040 2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.425 7.564 4.089 1.00 0.00 H new ATOM 162 N ILE A 14 3.960 8.195 0.820 1.00 0.00 N ATOM 163 CA ILE A 14 4.538 7.531 -0.345 1.00 0.00 C ATOM 164 C ILE A 14 5.491 6.421 0.096 1.00 0.00 C ATOM 165 O ILE A 14 5.420 5.293 -0.392 1.00 0.00 O ATOM 166 CB ILE A 14 5.301 8.540 -1.213 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.347 9.657 -1.643 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.861 7.845 -2.459 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.152 10.914 -1.984 1.00 0.00 C ATOM 0 H ILE A 14 4.228 9.173 0.930 1.00 0.00 H new ATOM 0 HA ILE A 14 3.725 7.098 -0.929 1.00 0.00 H new ATOM 0 HB ILE A 14 6.126 8.957 -0.636 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.765 9.339 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.638 9.872 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.401 8.570 -3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.540 7.048 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.041 7.422 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.472 11.709 -2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.714 11.235 -1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.843 10.694 -2.798 1.00 0.00 H new ATOM 181 N SER A 15 6.386 6.757 1.020 1.00 0.00 N ATOM 182 CA SER A 15 7.356 5.783 1.515 1.00 0.00 C ATOM 183 C SER A 15 6.646 4.585 2.143 1.00 0.00 C ATOM 184 O SER A 15 7.042 3.437 1.946 1.00 0.00 O ATOM 185 CB SER A 15 8.273 6.421 2.556 1.00 0.00 C ATOM 186 OG SER A 15 8.847 7.604 2.015 1.00 0.00 O ATOM 0 H SER A 15 6.461 7.685 1.438 1.00 0.00 H new ATOM 0 HA SER A 15 7.951 5.445 0.666 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.709 6.657 3.459 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.058 5.721 2.844 1.00 0.00 H new ATOM 0 HG SER A 15 8.567 8.377 2.549 1.00 0.00 H new ATOM 192 N GLU A 16 5.591 4.870 2.900 1.00 0.00 N ATOM 193 CA GLU A 16 4.828 3.810 3.554 1.00 0.00 C ATOM 194 C GLU A 16 3.972 3.067 2.533 1.00 0.00 C ATOM 195 O GLU A 16 3.859 1.841 2.570 1.00 0.00 O ATOM 196 CB GLU A 16 3.918 4.394 4.637 1.00 0.00 C ATOM 197 CG GLU A 16 3.295 3.256 5.449 1.00 0.00 C ATOM 198 CD GLU A 16 2.085 3.783 6.216 1.00 0.00 C ATOM 199 OE1 GLU A 16 2.242 4.756 6.933 1.00 0.00 O ATOM 200 OE2 GLU A 16 1.021 3.202 6.074 1.00 0.00 O ATOM 0 H GLU A 16 5.247 5.814 3.075 1.00 0.00 H new ATOM 0 HA GLU A 16 5.535 3.118 4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.490 5.051 5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.135 5.000 4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.994 2.444 4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.029 2.846 6.143 1.00 0.00 H new ATOM 207 N GLU A 17 3.374 3.826 1.620 1.00 0.00 N ATOM 208 CA GLU A 17 2.528 3.235 0.587 1.00 0.00 C ATOM 209 C GLU A 17 3.364 2.381 -0.361 1.00 0.00 C ATOM 210 O GLU A 17 2.930 1.323 -0.815 1.00 0.00 O ATOM 211 CB GLU A 17 1.823 4.329 -0.219 1.00 0.00 C ATOM 212 CG GLU A 17 0.772 3.695 -1.132 1.00 0.00 C ATOM 213 CD GLU A 17 0.463 4.644 -2.284 1.00 0.00 C ATOM 214 OE1 GLU A 17 1.379 4.961 -3.026 1.00 0.00 O ATOM 215 OE2 GLU A 17 -0.685 5.039 -2.410 1.00 0.00 O ATOM 0 H GLU A 17 3.457 4.842 1.573 1.00 0.00 H new ATOM 0 HA GLU A 17 1.783 2.610 1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.351 5.044 0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.550 4.883 -0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.137 2.743 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.136 3.483 -0.567 1.00 0.00 H new ATOM 222 N ASP A 18 4.572 2.855 -0.653 1.00 0.00 N ATOM 223 CA ASP A 18 5.469 2.130 -1.549 1.00 0.00 C ATOM 224 C ASP A 18 5.824 0.770 -0.955 1.00 0.00 C ATOM 225 O ASP A 18 5.949 -0.223 -1.673 1.00 0.00 O ATOM 226 CB ASP A 18 6.755 2.924 -1.778 1.00 0.00 C ATOM 227 CG ASP A 18 7.448 2.418 -3.039 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.560 1.211 -3.186 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.855 3.243 -3.840 1.00 0.00 O ATOM 0 H ASP A 18 4.950 3.729 -0.287 1.00 0.00 H new ATOM 0 HA ASP A 18 4.956 1.991 -2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.527 3.985 -1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.418 2.819 -0.919 1.00 0.00 H new ATOM 234 N LEU A 19 5.985 0.737 0.365 1.00 0.00 N ATOM 235 CA LEU A 19 6.325 -0.508 1.050 1.00 0.00 C ATOM 236 C LEU A 19 5.220 -1.542 0.850 1.00 0.00 C ATOM 237 O LEU A 19 5.476 -2.674 0.440 1.00 0.00 O ATOM 238 CB LEU A 19 6.512 -0.261 2.548 1.00 0.00 C ATOM 239 CG LEU A 19 7.811 0.515 2.780 1.00 0.00 C ATOM 240 CD1 LEU A 19 7.764 1.193 4.150 1.00 0.00 C ATOM 241 CD2 LEU A 19 8.996 -0.452 2.730 1.00 0.00 C ATOM 0 H LEU A 19 5.887 1.548 0.976 1.00 0.00 H new ATOM 0 HA LEU A 19 7.257 -0.883 0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.665 0.300 2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.543 -1.210 3.083 1.00 0.00 H new ATOM 0 HG LEU A 19 7.925 1.273 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.689 1.745 4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.919 1.881 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.650 0.437 4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.922 0.099 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.881 -1.209 3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.030 -0.935 1.754 1.00 0.00 H new ATOM 253 N LEU A 20 3.988 -1.136 1.144 1.00 0.00 N ATOM 254 CA LEU A 20 2.847 -2.032 0.991 1.00 0.00 C ATOM 255 C LEU A 20 2.599 -2.327 -0.485 1.00 0.00 C ATOM 256 O LEU A 20 2.165 -3.419 -0.851 1.00 0.00 O ATOM 257 CB LEU A 20 1.591 -1.400 1.592 1.00 0.00 C ATOM 258 CG LEU A 20 1.533 -1.702 3.090 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.831 -0.554 3.817 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.755 -3.000 3.318 1.00 0.00 C ATOM 0 H LEU A 20 3.756 -0.203 1.486 1.00 0.00 H new ATOM 0 HA LEU A 20 3.072 -2.961 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.599 -0.322 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.702 -1.791 1.097 1.00 0.00 H new ATOM 0 HG LEU A 20 2.546 -1.811 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.790 -0.770 4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.384 0.371 3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.182 -0.444 3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.713 -3.216 4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.258 -2.890 2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.255 -3.819 2.801 1.00 0.00 H new ATOM 272 N ARG A 21 2.883 -1.338 -1.329 1.00 0.00 N ATOM 273 CA ARG A 21 2.691 -1.497 -2.767 1.00 0.00 C ATOM 274 C ARG A 21 3.586 -2.611 -3.302 1.00 0.00 C ATOM 275 O ARG A 21 3.165 -3.425 -4.124 1.00 0.00 O ATOM 276 CB ARG A 21 3.024 -0.197 -3.500 1.00 0.00 C ATOM 277 CG ARG A 21 1.810 0.734 -3.470 1.00 0.00 C ATOM 278 CD ARG A 21 2.266 2.177 -3.693 1.00 0.00 C ATOM 279 NE ARG A 21 2.990 2.300 -4.961 1.00 0.00 N ATOM 280 CZ ARG A 21 2.359 2.356 -6.142 1.00 0.00 C ATOM 281 NH1 ARG A 21 1.050 2.298 -6.217 1.00 0.00 N ATOM 282 NH2 ARG A 21 3.057 2.470 -7.238 1.00 0.00 N ATOM 0 H ARG A 21 3.243 -0.427 -1.045 1.00 0.00 H new ATOM 0 HA ARG A 21 1.646 -1.753 -2.940 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.879 0.289 -3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.306 -0.411 -4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.097 0.444 -4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.296 0.648 -2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.401 2.841 -3.696 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.907 2.493 -2.870 1.00 0.00 H new ATOM 0 HE ARG A 21 4.009 2.345 -4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.494 2.209 -5.367 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.589 2.342 -7.126 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.075 2.516 -7.192 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.585 2.513 -8.141 1.00 0.00 H new ATOM 296 N LYS A 22 4.829 -2.634 -2.827 1.00 0.00 N ATOM 297 CA LYS A 22 5.781 -3.651 -3.262 1.00 0.00 C ATOM 298 C LYS A 22 5.291 -5.042 -2.875 1.00 0.00 C ATOM 299 O LYS A 22 5.315 -5.971 -3.681 1.00 0.00 O ATOM 300 CB LYS A 22 7.150 -3.410 -2.622 1.00 0.00 C ATOM 301 CG LYS A 22 8.229 -4.128 -3.436 1.00 0.00 C ATOM 302 CD LYS A 22 9.561 -3.391 -3.281 1.00 0.00 C ATOM 303 CE LYS A 22 9.568 -2.155 -4.180 1.00 0.00 C ATOM 304 NZ LYS A 22 10.885 -1.466 -4.067 1.00 0.00 N ATOM 0 H LYS A 22 5.197 -1.968 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 22 5.869 -3.586 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.361 -2.341 -2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.152 -3.774 -1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.330 -5.159 -3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.942 -4.165 -4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.708 -3.098 -2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.387 -4.051 -3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.384 -2.444 -5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.765 -1.477 -3.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.890 -0.625 -4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.042 -1.178 -3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.642 -2.114 -4.363 1.00 0.00 H new ATOM 318 N ARG A 23 4.842 -5.172 -1.630 1.00 0.00 N ATOM 319 CA ARG A 23 4.344 -6.455 -1.141 1.00 0.00 C ATOM 320 C ARG A 23 3.094 -6.867 -1.911 1.00 0.00 C ATOM 321 O ARG A 23 2.910 -8.038 -2.244 1.00 0.00 O ATOM 322 CB ARG A 23 4.008 -6.366 0.351 1.00 0.00 C ATOM 323 CG ARG A 23 4.337 -7.695 1.034 1.00 0.00 C ATOM 324 CD ARG A 23 3.150 -8.649 0.893 1.00 0.00 C ATOM 325 NE ARG A 23 3.611 -10.038 0.808 1.00 0.00 N ATOM 326 CZ ARG A 23 4.075 -10.702 1.877 1.00 0.00 C ATOM 327 NH1 ARG A 23 4.132 -10.134 3.059 1.00 0.00 N ATOM 328 NH2 ARG A 23 4.473 -11.938 1.740 1.00 0.00 N ATOM 0 H ARG A 23 4.812 -4.414 -0.948 1.00 0.00 H new ATOM 0 HA ARG A 23 5.125 -7.200 -1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.575 -5.558 0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.952 -6.130 0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.227 -8.136 0.585 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.560 -7.529 2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.481 -8.534 1.746 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.577 -8.395 0.001 1.00 0.00 H new ATOM 0 HE ARG A 23 3.578 -10.515 -0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.820 -9.170 3.177 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.488 -10.657 3.859 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.429 -12.390 0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.828 -12.452 2.547 1.00 0.00 H new ATOM 342 N ARG A 24 2.237 -5.889 -2.190 1.00 0.00 N ATOM 343 CA ARG A 24 1.002 -6.157 -2.922 1.00 0.00 C ATOM 344 C ARG A 24 1.317 -6.641 -4.336 1.00 0.00 C ATOM 345 O ARG A 24 0.587 -7.451 -4.908 1.00 0.00 O ATOM 346 CB ARG A 24 0.143 -4.891 -3.002 1.00 0.00 C ATOM 347 CG ARG A 24 -1.334 -5.255 -2.829 1.00 0.00 C ATOM 348 CD ARG A 24 -1.978 -5.454 -4.202 1.00 0.00 C ATOM 349 NE ARG A 24 -1.935 -4.213 -4.979 1.00 0.00 N ATOM 350 CZ ARG A 24 -2.698 -4.026 -6.066 1.00 0.00 C ATOM 351 NH1 ARG A 24 -3.528 -4.952 -6.482 1.00 0.00 N ATOM 352 NH2 ARG A 24 -2.614 -2.899 -6.722 1.00 0.00 N ATOM 0 H ARG A 24 2.372 -4.914 -1.924 1.00 0.00 H new ATOM 0 HA ARG A 24 0.452 -6.932 -2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.446 -4.185 -2.229 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.295 -4.397 -3.962 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.428 -6.165 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.852 -4.466 -2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.458 -6.245 -4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.012 -5.777 -4.081 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.305 -3.467 -4.684 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.602 -5.835 -5.976 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.099 -4.790 -7.311 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.973 -2.172 -6.406 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.190 -2.747 -7.550 1.00 0.00 H new ATOM 366 N GLU A 25 2.412 -6.133 -4.892 1.00 0.00 N ATOM 367 CA GLU A 25 2.820 -6.518 -6.241 1.00 0.00 C ATOM 368 C GLU A 25 3.190 -7.997 -6.283 1.00 0.00 C ATOM 369 O GLU A 25 2.877 -8.704 -7.240 1.00 0.00 O ATOM 370 CB GLU A 25 4.022 -5.690 -6.695 1.00 0.00 C ATOM 371 CG GLU A 25 3.993 -5.535 -8.217 1.00 0.00 C ATOM 372 CD GLU A 25 5.394 -5.218 -8.724 1.00 0.00 C ATOM 373 OE1 GLU A 25 6.302 -5.970 -8.411 1.00 0.00 O ATOM 374 OE2 GLU A 25 5.540 -4.225 -9.420 1.00 0.00 O ATOM 0 H GLU A 25 3.028 -5.460 -4.436 1.00 0.00 H new ATOM 0 HA GLU A 25 1.981 -6.334 -6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.002 -4.710 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.948 -6.175 -6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.627 -6.452 -8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.304 -4.739 -8.499 1.00 0.00 H new ATOM 381 N GLN A 26 3.863 -8.457 -5.232 1.00 0.00 N ATOM 382 CA GLN A 26 4.276 -9.856 -5.154 1.00 0.00 C ATOM 383 C GLN A 26 3.056 -10.765 -5.042 1.00 0.00 C ATOM 384 O GLN A 26 2.945 -11.770 -5.744 1.00 0.00 O ATOM 385 CB GLN A 26 5.179 -10.082 -3.942 1.00 0.00 C ATOM 386 CG GLN A 26 6.631 -9.788 -4.325 1.00 0.00 C ATOM 387 CD GLN A 26 7.210 -10.982 -5.076 1.00 0.00 C ATOM 388 OE1 GLN A 26 6.478 -11.731 -5.723 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.496 -11.206 -5.029 1.00 0.00 N ATOM 0 H GLN A 26 4.132 -7.888 -4.429 1.00 0.00 H new ATOM 0 HA GLN A 26 4.826 -10.095 -6.064 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.871 -9.436 -3.120 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.085 -11.110 -3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.680 -8.895 -4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.221 -9.587 -3.431 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.103 -10.585 -4.493 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.894 -12.002 -5.528 1.00 0.00 H new ATOM 398 N LEU A 27 2.142 -10.400 -4.147 1.00 0.00 N ATOM 399 CA LEU A 27 0.930 -11.189 -3.946 1.00 0.00 C ATOM 400 C LEU A 27 0.101 -11.228 -5.225 1.00 0.00 C ATOM 401 O LEU A 27 -0.563 -12.220 -5.523 1.00 0.00 O ATOM 402 CB LEU A 27 0.083 -10.590 -2.822 1.00 0.00 C ATOM 403 CG LEU A 27 0.581 -11.112 -1.473 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.388 -10.036 -0.403 1.00 0.00 C ATOM 405 CD2 LEU A 27 -0.212 -12.363 -1.087 1.00 0.00 C ATOM 0 H LEU A 27 2.215 -9.572 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 27 1.229 -12.202 -3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.143 -9.502 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.965 -10.855 -2.962 1.00 0.00 H new ATOM 0 HG LEU A 27 1.640 -11.360 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.743 -10.410 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.953 -9.145 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.670 -9.785 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.142 -12.736 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.271 -12.114 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.073 -13.131 -1.848 1.00 0.00 H new ATOM 417 N LYS A 28 0.148 -10.133 -5.979 1.00 0.00 N ATOM 418 CA LYS A 28 -0.603 -10.048 -7.229 1.00 0.00 C ATOM 419 C LYS A 28 0.157 -10.739 -8.358 1.00 0.00 C ATOM 420 O LYS A 28 -0.441 -11.287 -9.282 1.00 0.00 O ATOM 421 CB LYS A 28 -0.842 -8.587 -7.612 1.00 0.00 C ATOM 422 CG LYS A 28 -1.907 -8.514 -8.708 1.00 0.00 C ATOM 423 CD LYS A 28 -2.603 -7.152 -8.655 1.00 0.00 C ATOM 424 CE LYS A 28 -1.840 -6.156 -9.530 1.00 0.00 C ATOM 425 NZ LYS A 28 -2.771 -5.087 -9.993 1.00 0.00 N ATOM 0 H LYS A 28 0.692 -9.301 -5.750 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.561 -10.546 -7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.164 -8.019 -6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.086 -8.135 -7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.448 -8.662 -9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.637 -9.312 -8.574 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.632 -7.244 -9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.644 -6.792 -7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.016 -5.717 -8.967 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.403 -6.669 -10.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.253 -4.409 -10.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.542 -5.514 -10.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.168 -4.592 -9.169 1.00 0.00 H new ATOM 439 N HIS A 29 1.485 -10.706 -8.273 1.00 0.00 N ATOM 440 CA HIS A 29 2.322 -11.332 -9.293 1.00 0.00 C ATOM 441 C HIS A 29 2.040 -12.829 -9.375 1.00 0.00 C ATOM 442 O HIS A 29 2.109 -13.433 -10.445 1.00 0.00 O ATOM 443 CB HIS A 29 3.803 -11.121 -8.975 1.00 0.00 C ATOM 444 CG HIS A 29 4.260 -9.813 -9.558 1.00 0.00 C ATOM 445 ND1 HIS A 29 3.989 -9.452 -10.869 1.00 0.00 N ATOM 446 CD2 HIS A 29 4.972 -8.768 -9.023 1.00 0.00 C ATOM 447 CE1 HIS A 29 4.530 -8.238 -11.077 1.00 0.00 C ATOM 448 NE2 HIS A 29 5.142 -7.775 -9.982 1.00 0.00 N ATOM 0 H HIS A 29 2.000 -10.257 -7.516 1.00 0.00 H new ATOM 0 HA HIS A 29 2.086 -10.867 -10.250 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.958 -11.124 -7.896 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.394 -11.940 -9.385 1.00 0.00 H new ATOM 0 HD1 HIS A 29 3.473 -10.007 -11.552 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.344 -8.724 -8.010 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.477 -7.703 -12.014 1.00 0.00 H new ATOM 456 N LYS A 30 1.718 -13.421 -8.227 1.00 0.00 N ATOM 457 CA LYS A 30 1.425 -14.851 -8.176 1.00 0.00 C ATOM 458 C LYS A 30 -0.037 -15.107 -8.529 1.00 0.00 C ATOM 459 O LYS A 30 -0.352 -15.981 -9.337 1.00 0.00 O ATOM 460 CB LYS A 30 1.704 -15.405 -6.777 1.00 0.00 C ATOM 461 CG LYS A 30 1.929 -16.916 -6.862 1.00 0.00 C ATOM 462 CD LYS A 30 3.426 -17.203 -6.983 1.00 0.00 C ATOM 463 CE LYS A 30 3.640 -18.687 -7.287 1.00 0.00 C ATOM 464 NZ LYS A 30 2.941 -19.511 -6.260 1.00 0.00 N ATOM 0 H LYS A 30 1.654 -12.940 -7.330 1.00 0.00 H new ATOM 0 HA LYS A 30 2.068 -15.353 -8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.582 -14.919 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.866 -15.188 -6.115 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.525 -17.405 -5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.399 -17.326 -7.722 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.861 -16.593 -7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.934 -16.934 -6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.259 -18.924 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.705 -18.918 -7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.321 -20.479 -6.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.091 -19.093 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.923 -19.536 -6.470 1.00 0.00 H new ATOM 478 N LEU A 31 -0.926 -14.331 -7.914 1.00 0.00 N ATOM 479 CA LEU A 31 -2.357 -14.479 -8.168 1.00 0.00 C ATOM 480 C LEU A 31 -2.669 -14.181 -9.631 1.00 0.00 C ATOM 481 O LEU A 31 -3.447 -14.889 -10.272 1.00 0.00 O ATOM 482 CB LEU A 31 -3.160 -13.524 -7.282 1.00 0.00 C ATOM 483 CG LEU A 31 -4.506 -14.162 -6.933 1.00 0.00 C ATOM 484 CD1 LEU A 31 -5.028 -13.570 -5.623 1.00 0.00 C ATOM 485 CD2 LEU A 31 -5.509 -13.877 -8.053 1.00 0.00 C ATOM 0 H LEU A 31 -0.685 -13.601 -7.244 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.636 -15.507 -7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.604 -13.302 -6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.317 -12.577 -7.799 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.379 -15.239 -6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.987 -14.025 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.314 -13.769 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.155 -12.493 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.469 -14.331 -7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.635 -12.800 -8.164 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.139 -14.297 -8.988 1.00 0.00 H new ATOM 497 N GLU A 32 -2.054 -13.123 -10.152 1.00 0.00 N ATOM 498 CA GLU A 32 -2.271 -12.736 -11.543 1.00 0.00 C ATOM 499 C GLU A 32 -1.760 -13.822 -12.483 1.00 0.00 C ATOM 500 O GLU A 32 -2.412 -14.168 -13.470 1.00 0.00 O ATOM 501 CB GLU A 32 -1.543 -11.426 -11.853 1.00 0.00 C ATOM 502 CG GLU A 32 -1.991 -10.903 -13.219 1.00 0.00 C ATOM 503 CD GLU A 32 -1.135 -9.705 -13.612 1.00 0.00 C ATOM 504 OE1 GLU A 32 -0.094 -9.915 -14.213 1.00 0.00 O ATOM 505 OE2 GLU A 32 -1.533 -8.593 -13.304 1.00 0.00 O ATOM 0 H GLU A 32 -1.408 -12.524 -9.639 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.342 -12.600 -11.692 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.757 -10.687 -11.081 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.465 -11.587 -11.849 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.901 -11.689 -13.968 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.042 -10.616 -13.183 1.00 0.00 H new ATOM 512 N GLN A 33 -0.585 -14.360 -12.165 1.00 0.00 N ATOM 513 CA GLN A 33 0.008 -15.410 -12.986 1.00 0.00 C ATOM 514 C GLN A 33 -0.873 -16.654 -12.975 1.00 0.00 C ATOM 515 O GLN A 33 -1.270 -17.162 -14.024 1.00 0.00 O ATOM 516 CB GLN A 33 1.397 -15.779 -12.461 1.00 0.00 C ATOM 517 CG GLN A 33 2.180 -16.505 -13.557 1.00 0.00 C ATOM 518 CD GLN A 33 3.659 -16.152 -13.446 1.00 0.00 C ATOM 519 OE1 GLN A 33 4.029 -14.979 -13.490 1.00 0.00 O ATOM 520 NE2 GLN A 33 4.537 -17.107 -13.300 1.00 0.00 N ATOM 0 H GLN A 33 -0.030 -14.089 -11.353 1.00 0.00 H new ATOM 0 HA GLN A 33 0.094 -15.033 -14.005 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.931 -14.881 -12.152 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.308 -16.415 -11.581 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.045 -17.582 -13.462 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.800 -16.221 -14.538 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.231 -18.079 -13.263 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.529 -16.881 -13.222 1.00 0.00 H new ATOM 529 N LEU A 34 -1.177 -17.140 -11.775 1.00 0.00 N ATOM 530 CA LEU A 34 -2.015 -18.328 -11.632 1.00 0.00 C ATOM 531 C LEU A 34 -3.214 -18.027 -10.738 1.00 0.00 C ATOM 532 O LEU A 34 -4.339 -17.890 -11.217 1.00 0.00 O ATOM 533 CB LEU A 34 -1.210 -19.482 -11.018 1.00 0.00 C ATOM 534 CG LEU A 34 -0.517 -20.304 -12.115 1.00 0.00 C ATOM 535 CD1 LEU A 34 -1.564 -20.925 -13.043 1.00 0.00 C ATOM 536 CD2 LEU A 34 0.421 -19.403 -12.930 1.00 0.00 C ATOM 0 H LEU A 34 -0.859 -16.735 -10.895 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.363 -18.617 -12.624 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.465 -19.086 -10.328 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.872 -20.125 -10.438 1.00 0.00 H new ATOM 0 HG LEU A 34 0.064 -21.098 -11.646 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.064 -21.506 -13.818 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.220 -21.577 -12.467 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.154 -20.134 -13.506 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.909 -19.993 -13.706 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.155 -18.601 -13.392 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.176 -18.974 -12.272 1.00 0.00 H new HETATM 548 N NH2 A 35 -3.038 -17.915 -9.450 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 -3.708 24.298 -4.469 1.00 0.00 C HETATM 553 O ACE B 2 -2.517 24.402 -4.766 1.00 0.00 O HETATM 554 CH3 ACE B 2 -4.642 25.501 -4.529 1.00 0.00 C HETATM 0 H1 ACE B 2 -5.449 25.300 -5.233 1.00 0.00 H new HETATM 0 H2 ACE B 2 -5.061 25.686 -3.540 1.00 0.00 H new HETATM 0 H3 ACE B 2 -4.085 26.378 -4.857 1.00 0.00 H new ATOM 558 N CYS B 3 -4.260 23.153 -4.080 1.00 0.00 N ATOM 559 CA CYS B 3 -3.468 21.929 -3.982 1.00 0.00 C ATOM 560 C CYS B 3 -3.580 21.120 -5.271 1.00 0.00 C ATOM 561 O CYS B 3 -2.608 20.959 -6.007 1.00 0.00 O ATOM 562 CB CYS B 3 -3.947 21.071 -2.809 1.00 0.00 C ATOM 563 SG CYS B 3 -3.909 22.048 -1.286 1.00 0.00 S ATOM 0 H CYS B 3 -5.243 23.046 -3.829 1.00 0.00 H new ATOM 0 HA CYS B 3 -2.428 22.213 -3.819 1.00 0.00 H new ATOM 0 HB2 CYS B 3 -4.959 20.712 -2.997 1.00 0.00 H new ATOM 0 HB3 CYS B 3 -3.311 20.192 -2.705 1.00 0.00 H new ATOM 568 N GLY B 4 -4.783 20.615 -5.535 1.00 0.00 N ATOM 569 CA GLY B 4 -5.018 19.823 -6.740 1.00 0.00 C ATOM 570 C GLY B 4 -4.550 18.385 -6.546 1.00 0.00 C ATOM 571 O GLY B 4 -5.004 17.685 -5.641 1.00 0.00 O ATOM 0 H GLY B 4 -5.601 20.738 -4.939 1.00 0.00 H new ATOM 0 HA2 GLY B 4 -6.080 19.834 -6.986 1.00 0.00 H new ATOM 0 HA3 GLY B 4 -4.491 20.271 -7.583 1.00 0.00 H new ATOM 575 N GLY B 5 -3.637 17.952 -7.412 1.00 0.00 N ATOM 576 CA GLY B 5 -3.109 16.592 -7.335 1.00 0.00 C ATOM 577 C GLY B 5 -2.431 16.342 -5.992 1.00 0.00 C ATOM 578 O GLY B 5 -2.404 15.215 -5.496 1.00 0.00 O ATOM 0 H GLY B 5 -3.250 18.517 -8.168 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -3.918 15.876 -7.476 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -2.395 16.429 -8.142 1.00 0.00 H new ATOM 582 N MET B 6 -1.881 17.404 -5.407 1.00 0.00 N ATOM 583 CA MET B 6 -1.200 17.287 -4.118 1.00 0.00 C ATOM 584 C MET B 6 -2.159 16.773 -3.049 1.00 0.00 C ATOM 585 O MET B 6 -1.859 15.815 -2.335 1.00 0.00 O ATOM 586 CB MET B 6 -0.648 18.645 -3.681 1.00 0.00 C ATOM 587 CG MET B 6 0.695 18.897 -4.371 1.00 0.00 C ATOM 588 SD MET B 6 2.006 18.026 -3.476 1.00 0.00 S ATOM 589 CE MET B 6 2.564 16.986 -4.847 1.00 0.00 C ATOM 0 H MET B 6 -1.892 18.346 -5.799 1.00 0.00 H new ATOM 0 HA MET B 6 -0.378 16.580 -4.236 1.00 0.00 H new ATOM 0 HB2 MET B 6 -1.354 19.435 -3.936 1.00 0.00 H new ATOM 0 HB3 MET B 6 -0.522 18.667 -2.598 1.00 0.00 H new ATOM 0 HG2 MET B 6 0.655 18.553 -5.405 1.00 0.00 H new ATOM 0 HG3 MET B 6 0.907 19.966 -4.399 1.00 0.00 H new ATOM 0 HE1 MET B 6 3.386 16.353 -4.513 1.00 0.00 H new ATOM 0 HE2 MET B 6 1.739 16.360 -5.188 1.00 0.00 H new ATOM 0 HE3 MET B 6 2.903 17.618 -5.668 1.00 0.00 H new ATOM 599 N ARG B 7 -3.316 17.420 -2.946 1.00 0.00 N ATOM 600 CA ARG B 7 -4.316 17.021 -1.959 1.00 0.00 C ATOM 601 C ARG B 7 -4.991 15.720 -2.383 1.00 0.00 C ATOM 602 O ARG B 7 -5.369 14.899 -1.548 1.00 0.00 O ATOM 603 CB ARG B 7 -5.380 18.108 -1.803 1.00 0.00 C ATOM 604 CG ARG B 7 -6.255 17.794 -0.587 1.00 0.00 C ATOM 605 CD ARG B 7 -6.831 19.095 -0.024 1.00 0.00 C ATOM 606 NE ARG B 7 -7.561 18.841 1.220 1.00 0.00 N ATOM 607 CZ ARG B 7 -8.778 18.275 1.230 1.00 0.00 C ATOM 608 NH1 ARG B 7 -9.372 17.921 0.115 1.00 0.00 N ATOM 609 NH2 ARG B 7 -9.381 18.074 2.370 1.00 0.00 N ATOM 0 H ARG B 7 -3.583 18.215 -3.527 1.00 0.00 H new ATOM 0 HA ARG B 7 -3.808 16.874 -1.006 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -4.905 19.082 -1.681 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -5.994 18.163 -2.702 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -7.062 17.119 -0.871 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -5.667 17.284 0.176 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -6.025 19.806 0.160 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -7.497 19.551 -0.756 1.00 0.00 H new ATOM 0 HE ARG B 7 -7.131 19.103 2.107 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -8.909 18.075 -0.781 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -10.297 17.492 0.144 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -8.927 18.346 3.242 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -10.306 17.645 2.389 1.00 0.00 H new ATOM 623 N ARG B 8 -5.138 15.545 -3.693 1.00 0.00 N ATOM 624 CA ARG B 8 -5.769 14.339 -4.224 1.00 0.00 C ATOM 625 C ARG B 8 -4.898 13.117 -3.949 1.00 0.00 C ATOM 626 O ARG B 8 -5.399 12.030 -3.666 1.00 0.00 O ATOM 627 CB ARG B 8 -5.986 14.467 -5.733 1.00 0.00 C ATOM 628 CG ARG B 8 -6.861 13.313 -6.225 1.00 0.00 C ATOM 629 CD ARG B 8 -6.426 12.905 -7.633 1.00 0.00 C ATOM 630 NE ARG B 8 -7.565 12.387 -8.397 1.00 0.00 N ATOM 631 CZ ARG B 8 -7.526 12.250 -9.729 1.00 0.00 C ATOM 632 NH1 ARG B 8 -6.456 12.574 -10.416 1.00 0.00 N ATOM 633 NH2 ARG B 8 -8.570 11.783 -10.357 1.00 0.00 N ATOM 0 H ARG B 8 -4.833 16.214 -4.400 1.00 0.00 H new ATOM 0 HA ARG B 8 -6.732 14.218 -3.729 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.461 15.421 -5.963 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -5.027 14.456 -6.251 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -6.776 12.464 -5.547 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -7.909 13.614 -6.230 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -5.996 13.763 -8.149 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -5.647 12.145 -7.573 1.00 0.00 H new ATOM 0 HE ARG B 8 -8.415 12.122 -7.898 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -5.633 12.938 -9.936 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -6.447 12.462 -11.430 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -9.407 11.526 -9.834 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -8.549 11.675 -11.371 1.00 0.00 H new ATOM 647 N LYS B 9 -3.585 13.311 -4.037 1.00 0.00 N ATOM 648 CA LYS B 9 -2.646 12.217 -3.797 1.00 0.00 C ATOM 649 C LYS B 9 -2.672 11.808 -2.328 1.00 0.00 C ATOM 650 O LYS B 9 -2.527 10.632 -1.994 1.00 0.00 O ATOM 651 CB LYS B 9 -1.224 12.638 -4.173 1.00 0.00 C ATOM 652 CG LYS B 9 -0.428 11.408 -4.615 1.00 0.00 C ATOM 653 CD LYS B 9 1.010 11.819 -4.935 1.00 0.00 C ATOM 654 CE LYS B 9 1.714 10.677 -5.671 1.00 0.00 C ATOM 655 NZ LYS B 9 1.282 10.663 -7.097 1.00 0.00 N ATOM 0 H LYS B 9 -3.150 14.204 -4.270 1.00 0.00 H new ATOM 0 HA LYS B 9 -2.948 11.372 -4.416 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.252 13.374 -4.976 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -0.737 13.113 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -0.435 10.655 -3.827 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -0.892 10.957 -5.492 1.00 0.00 H new ATOM 0 HD2 LYS B 9 1.014 12.719 -5.549 1.00 0.00 H new ATOM 0 HD3 LYS B 9 1.545 12.058 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS B 9 2.795 10.802 -5.609 1.00 0.00 H new ATOM 0 HE3 LYS B 9 1.476 9.724 -5.198 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 1.932 10.069 -7.651 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 0.318 10.277 -7.164 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 1.294 11.633 -7.473 1.00 0.00 H new ATOM 669 N ASN B 10 -2.858 12.794 -1.455 1.00 0.00 N ATOM 670 CA ASN B 10 -2.900 12.529 -0.020 1.00 0.00 C ATOM 671 C ASN B 10 -4.104 11.656 0.324 1.00 0.00 C ATOM 672 O ASN B 10 -3.989 10.680 1.065 1.00 0.00 O ATOM 673 CB ASN B 10 -2.994 13.838 0.765 1.00 0.00 C ATOM 674 CG ASN B 10 -1.858 14.765 0.345 1.00 0.00 C ATOM 675 OD1 ASN B 10 -2.065 15.963 0.149 1.00 0.00 O ATOM 676 ND2 ASN B 10 -0.658 14.278 0.192 1.00 0.00 N ATOM 0 H ASN B 10 -2.981 13.773 -1.712 1.00 0.00 H new ATOM 0 HA ASN B 10 -1.982 12.009 0.253 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.956 14.317 0.581 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -2.938 13.638 1.835 1.00 0.00 H new ATOM 0 HD21 ASN B 10 0.108 14.889 -0.090 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -0.486 13.286 0.354 1.00 0.00 H new ATOM 683 N ASP B 11 -5.259 12.019 -0.225 1.00 0.00 N ATOM 684 CA ASP B 11 -6.482 11.261 0.027 1.00 0.00 C ATOM 685 C ASP B 11 -6.342 9.836 -0.498 1.00 0.00 C ATOM 686 O ASP B 11 -6.790 8.879 0.134 1.00 0.00 O ATOM 687 CB ASP B 11 -7.677 11.928 -0.658 1.00 0.00 C ATOM 688 CG ASP B 11 -8.960 11.548 0.072 1.00 0.00 C ATOM 689 OD1 ASP B 11 -8.961 11.596 1.291 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.923 11.216 -0.600 1.00 0.00 O ATOM 0 H ASP B 11 -5.375 12.824 -0.841 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.648 11.238 1.104 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.552 13.011 -0.656 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.733 11.615 -1.701 1.00 0.00 H new ATOM 695 N THR B 12 -5.711 9.707 -1.660 1.00 0.00 N ATOM 696 CA THR B 12 -5.512 8.394 -2.268 1.00 0.00 C ATOM 697 C THR B 12 -4.394 7.634 -1.554 1.00 0.00 C ATOM 698 O THR B 12 -4.389 6.405 -1.516 1.00 0.00 O ATOM 699 CB THR B 12 -5.148 8.537 -3.747 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.241 9.619 -3.908 1.00 0.00 O ATOM 701 CG2 THR B 12 -6.414 8.806 -4.562 1.00 0.00 C ATOM 0 H THR B 12 -5.331 10.487 -2.197 1.00 0.00 H new ATOM 0 HA THR B 12 -6.445 7.839 -2.174 1.00 0.00 H new ATOM 0 HB THR B 12 -4.682 7.616 -4.097 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.741 10.437 -4.113 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.154 8.908 -5.616 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.109 7.976 -4.439 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.882 9.726 -4.213 1.00 0.00 H new ATOM 709 N HIS B 13 -3.445 8.379 -0.991 1.00 0.00 N ATOM 710 CA HIS B 13 -2.324 7.764 -0.280 1.00 0.00 C ATOM 711 C HIS B 13 -2.826 6.914 0.884 1.00 0.00 C ATOM 712 O HIS B 13 -2.325 5.818 1.135 1.00 0.00 O ATOM 713 CB HIS B 13 -1.378 8.842 0.260 1.00 0.00 C ATOM 714 CG HIS B 13 -0.304 9.127 -0.754 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.485 8.126 -1.298 1.00 0.00 N ATOM 716 CD2 HIS B 13 0.125 10.298 -1.329 1.00 0.00 C ATOM 717 CE1 HIS B 13 1.341 8.708 -2.159 1.00 0.00 C ATOM 718 NE2 HIS B 13 1.164 10.030 -2.216 1.00 0.00 N ATOM 0 H HIS B 13 -3.428 9.399 -1.012 1.00 0.00 H new ATOM 0 HA HIS B 13 -1.788 7.129 -0.985 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -1.936 9.753 0.479 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -0.929 8.510 1.196 1.00 0.00 H new ATOM 0 HD1 HIS B 13 0.428 7.130 -1.085 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.282 11.277 -1.124 1.00 0.00 H new ATOM 0 HE1 HIS B 13 2.081 8.171 -2.734 1.00 0.00 H new ATOM 726 N GLN B 14 -3.820 7.439 1.594 1.00 0.00 N ATOM 727 CA GLN B 14 -4.387 6.727 2.736 1.00 0.00 C ATOM 728 C GLN B 14 -5.265 5.571 2.264 1.00 0.00 C ATOM 729 O GLN B 14 -5.147 4.445 2.747 1.00 0.00 O ATOM 730 CB GLN B 14 -5.228 7.674 3.593 1.00 0.00 C ATOM 731 CG GLN B 14 -4.306 8.605 4.382 1.00 0.00 C ATOM 732 CD GLN B 14 -3.869 7.917 5.671 1.00 0.00 C ATOM 733 OE1 GLN B 14 -3.079 6.974 5.642 1.00 0.00 O ATOM 734 NE2 GLN B 14 -4.341 8.338 6.812 1.00 0.00 N ATOM 0 H GLN B 14 -4.246 8.346 1.402 1.00 0.00 H new ATOM 0 HA GLN B 14 -3.562 6.336 3.331 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.896 8.258 2.960 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -5.856 7.102 4.276 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -3.434 8.864 3.782 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.823 9.537 4.612 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -4.996 9.120 6.836 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -4.055 7.885 7.680 1.00 0.00 H new ATOM 743 N GLN B 15 -6.149 5.865 1.314 1.00 0.00 N ATOM 744 CA GLN B 15 -7.048 4.844 0.783 1.00 0.00 C ATOM 745 C GLN B 15 -6.253 3.724 0.118 1.00 0.00 C ATOM 746 O GLN B 15 -6.526 2.542 0.328 1.00 0.00 O ATOM 747 CB GLN B 15 -8.002 5.456 -0.246 1.00 0.00 C ATOM 748 CG GLN B 15 -9.239 4.567 -0.389 1.00 0.00 C ATOM 749 CD GLN B 15 -10.153 4.771 0.814 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.372 3.847 1.600 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.706 5.937 1.009 1.00 0.00 N ATOM 0 H GLN B 15 -6.262 6.790 0.900 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.622 4.436 1.615 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.296 6.458 0.066 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.500 5.556 -1.208 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.771 4.811 -1.309 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -8.942 3.521 -0.460 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -10.525 6.702 0.359 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.319 6.083 1.811 1.00 0.00 H new ATOM 760 N ASP B 16 -5.267 4.110 -0.686 1.00 0.00 N ATOM 761 CA ASP B 16 -4.435 3.130 -1.379 1.00 0.00 C ATOM 762 C ASP B 16 -3.690 2.258 -0.374 1.00 0.00 C ATOM 763 O ASP B 16 -3.623 1.038 -0.518 1.00 0.00 O ATOM 764 CB ASP B 16 -3.416 3.834 -2.279 1.00 0.00 C ATOM 765 CG ASP B 16 -2.715 2.802 -3.157 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.409 2.012 -3.776 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.495 2.819 -3.197 1.00 0.00 O ATOM 0 H ASP B 16 -5.026 5.083 -0.873 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.088 2.505 -1.989 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.916 4.577 -2.901 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.685 4.367 -1.671 1.00 0.00 H new ATOM 772 N ILE B 17 -3.133 2.900 0.651 1.00 0.00 N ATOM 773 CA ILE B 17 -2.393 2.179 1.686 1.00 0.00 C ATOM 774 C ILE B 17 -3.291 1.140 2.357 1.00 0.00 C ATOM 775 O ILE B 17 -3.141 -0.064 2.151 1.00 0.00 O ATOM 776 CB ILE B 17 -1.857 3.179 2.742 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.580 3.831 2.211 1.00 0.00 C ATOM 778 CG2 ILE B 17 -1.544 2.478 4.081 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.188 5.000 3.117 1.00 0.00 C ATOM 0 H ILE B 17 -3.179 3.910 0.787 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.552 1.663 1.222 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.628 3.928 2.921 1.00 0.00 H new ATOM 0 HG12 ILE B 17 0.227 3.099 2.175 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.736 4.184 1.192 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.171 3.211 4.797 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -2.452 2.019 4.472 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -0.788 1.709 3.921 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.722 5.465 2.738 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -0.992 5.736 3.130 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.014 4.634 4.129 1.00 0.00 H new ATOM 791 N ASP B 18 -4.203 1.632 3.194 1.00 0.00 N ATOM 792 CA ASP B 18 -5.111 0.764 3.941 1.00 0.00 C ATOM 793 C ASP B 18 -5.721 -0.324 3.048 1.00 0.00 C ATOM 794 O ASP B 18 -6.044 -1.418 3.509 1.00 0.00 O ATOM 795 CB ASP B 18 -6.240 1.593 4.566 1.00 0.00 C ATOM 796 CG ASP B 18 -5.902 1.912 6.020 1.00 0.00 C ATOM 797 OD1 ASP B 18 -4.961 2.657 6.239 1.00 0.00 O ATOM 798 OD2 ASP B 18 -6.589 1.406 6.892 1.00 0.00 O ATOM 0 H ASP B 18 -4.333 2.628 3.372 1.00 0.00 H new ATOM 0 HA ASP B 18 -4.527 0.279 4.723 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.379 2.517 4.004 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.180 1.043 4.514 1.00 0.00 H new ATOM 803 N ASP B 19 -5.870 -0.009 1.764 1.00 0.00 N ATOM 804 CA ASP B 19 -6.436 -0.965 0.815 1.00 0.00 C ATOM 805 C ASP B 19 -5.411 -2.045 0.480 1.00 0.00 C ATOM 806 O ASP B 19 -5.749 -3.221 0.339 1.00 0.00 O ATOM 807 CB ASP B 19 -6.856 -0.257 -0.475 1.00 0.00 C ATOM 808 CG ASP B 19 -7.634 -1.227 -1.358 1.00 0.00 C ATOM 809 OD1 ASP B 19 -7.020 -2.137 -1.889 1.00 0.00 O ATOM 810 OD2 ASP B 19 -8.833 -1.045 -1.491 1.00 0.00 O ATOM 0 H ASP B 19 -5.610 0.890 1.359 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.312 -1.422 1.276 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.471 0.612 -0.242 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -5.976 0.108 -1.005 1.00 0.00 H new ATOM 815 N LEU B 20 -4.154 -1.631 0.354 1.00 0.00 N ATOM 816 CA LEU B 20 -3.077 -2.568 0.036 1.00 0.00 C ATOM 817 C LEU B 20 -2.839 -3.519 1.204 1.00 0.00 C ATOM 818 O LEU B 20 -2.833 -4.739 1.040 1.00 0.00 O ATOM 819 CB LEU B 20 -1.780 -1.811 -0.259 1.00 0.00 C ATOM 820 CG LEU B 20 -1.921 -1.044 -1.574 1.00 0.00 C ATOM 821 CD1 LEU B 20 -1.008 0.182 -1.550 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.523 -1.953 -2.739 1.00 0.00 C ATOM 0 H LEU B 20 -3.856 -0.662 0.466 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.374 -3.138 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.557 -1.120 0.554 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -0.946 -2.510 -0.322 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.955 -0.724 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.108 0.729 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.290 0.830 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.027 -0.137 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.623 -1.407 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.489 -2.273 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.173 -2.827 -2.757 1.00 0.00 H new ATOM 834 N LYS B 21 -2.638 -2.943 2.386 1.00 0.00 N ATOM 835 CA LYS B 21 -2.394 -3.740 3.586 1.00 0.00 C ATOM 836 C LYS B 21 -3.575 -4.663 3.870 1.00 0.00 C ATOM 837 O LYS B 21 -3.407 -5.765 4.393 1.00 0.00 O ATOM 838 CB LYS B 21 -2.170 -2.828 4.796 1.00 0.00 C ATOM 839 CG LYS B 21 -3.347 -1.858 4.938 1.00 0.00 C ATOM 840 CD LYS B 21 -4.284 -2.341 6.049 1.00 0.00 C ATOM 841 CE LYS B 21 -3.563 -2.268 7.397 1.00 0.00 C ATOM 842 NZ LYS B 21 -4.519 -1.811 8.447 1.00 0.00 N ATOM 0 H LYS B 21 -2.639 -1.935 2.539 1.00 0.00 H new ATOM 0 HA LYS B 21 -1.502 -4.342 3.412 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -2.069 -3.427 5.701 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -1.240 -2.272 4.677 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -2.980 -0.858 5.168 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -3.890 -1.790 3.995 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -5.184 -1.726 6.073 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -4.603 -3.364 5.851 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -3.159 -3.246 7.659 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -2.719 -1.581 7.334 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -4.030 -1.761 9.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -4.885 -0.870 8.198 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -5.310 -2.483 8.513 1.00 0.00 H new ATOM 856 N ARG B 22 -4.772 -4.202 3.522 1.00 0.00 N ATOM 857 CA ARG B 22 -5.977 -4.997 3.745 1.00 0.00 C ATOM 858 C ARG B 22 -6.050 -6.146 2.743 1.00 0.00 C ATOM 859 O ARG B 22 -6.321 -7.289 3.107 1.00 0.00 O ATOM 860 CB ARG B 22 -7.229 -4.129 3.601 1.00 0.00 C ATOM 861 CG ARG B 22 -8.458 -4.924 4.046 1.00 0.00 C ATOM 862 CD ARG B 22 -8.702 -4.695 5.539 1.00 0.00 C ATOM 863 NE ARG B 22 -10.109 -4.925 5.874 1.00 0.00 N ATOM 864 CZ ARG B 22 -10.613 -4.624 7.079 1.00 0.00 C ATOM 865 NH1 ARG B 22 -9.862 -4.105 8.020 1.00 0.00 N ATOM 866 NH2 ARG B 22 -11.876 -4.853 7.320 1.00 0.00 N ATOM 0 H ARG B 22 -4.934 -3.293 3.089 1.00 0.00 H new ATOM 0 HA ARG B 22 -5.931 -5.399 4.757 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -7.129 -3.226 4.204 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -7.345 -3.810 2.565 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.332 -4.614 3.472 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -8.308 -5.986 3.850 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -8.070 -5.364 6.123 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -8.421 -3.676 5.807 1.00 0.00 H new ATOM 0 HE ARG B 22 -10.725 -5.327 5.168 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -8.874 -3.923 7.842 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -10.265 -3.883 8.930 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.468 -5.257 6.595 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.270 -4.628 8.234 1.00 0.00 H new ATOM 880 N GLN B 23 -5.803 -5.825 1.477 1.00 0.00 N ATOM 881 CA GLN B 23 -5.841 -6.838 0.424 1.00 0.00 C ATOM 882 C GLN B 23 -4.719 -7.851 0.621 1.00 0.00 C ATOM 883 O GLN B 23 -4.865 -9.031 0.302 1.00 0.00 O ATOM 884 CB GLN B 23 -5.690 -6.186 -0.952 1.00 0.00 C ATOM 885 CG GLN B 23 -7.051 -5.669 -1.425 1.00 0.00 C ATOM 886 CD GLN B 23 -7.829 -6.806 -2.078 1.00 0.00 C ATOM 887 OE1 GLN B 23 -8.432 -7.629 -1.391 1.00 0.00 O ATOM 888 NE2 GLN B 23 -7.852 -6.900 -3.379 1.00 0.00 N ATOM 0 H GLN B 23 -5.577 -4.884 1.156 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.804 -7.346 0.479 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.975 -5.365 -0.900 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -5.295 -6.908 -1.667 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.613 -5.268 -0.581 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.915 -4.853 -2.135 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -7.352 -6.217 -3.949 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -8.370 -7.656 -3.827 1.00 0.00 H new ATOM 897 N ASN B 24 -3.594 -7.375 1.150 1.00 0.00 N ATOM 898 CA ASN B 24 -2.448 -8.249 1.389 1.00 0.00 C ATOM 899 C ASN B 24 -2.757 -9.246 2.500 1.00 0.00 C ATOM 900 O ASN B 24 -2.274 -10.378 2.490 1.00 0.00 O ATOM 901 CB ASN B 24 -1.220 -7.425 1.786 1.00 0.00 C ATOM 902 CG ASN B 24 -0.501 -6.937 0.532 1.00 0.00 C ATOM 903 OD1 ASN B 24 -0.680 -7.492 -0.553 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.313 -5.920 0.618 1.00 0.00 N ATOM 0 H ASN B 24 -3.452 -6.401 1.418 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.241 -8.789 0.465 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.523 -6.575 2.397 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.545 -8.029 2.392 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.800 -5.585 -0.213 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.461 -5.460 1.516 1.00 0.00 H new ATOM 911 N ALA B 25 -3.568 -8.811 3.460 1.00 0.00 N ATOM 912 CA ALA B 25 -3.938 -9.673 4.579 1.00 0.00 C ATOM 913 C ALA B 25 -4.881 -10.777 4.116 1.00 0.00 C ATOM 914 O ALA B 25 -4.742 -11.936 4.505 1.00 0.00 O ATOM 915 CB ALA B 25 -4.627 -8.858 5.676 1.00 0.00 C ATOM 0 H ALA B 25 -3.978 -7.877 3.487 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.025 -10.119 4.974 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -4.896 -9.515 6.503 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -3.949 -8.084 6.034 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -5.527 -8.394 5.273 1.00 0.00 H new ATOM 921 N LEU B 26 -5.846 -10.404 3.278 1.00 0.00 N ATOM 922 CA LEU B 26 -6.812 -11.372 2.765 1.00 0.00 C ATOM 923 C LEU B 26 -6.194 -12.206 1.647 1.00 0.00 C ATOM 924 O LEU B 26 -6.366 -13.423 1.593 1.00 0.00 O ATOM 925 CB LEU B 26 -8.051 -10.657 2.227 1.00 0.00 C ATOM 926 CG LEU B 26 -9.226 -11.635 2.179 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.620 -12.032 3.603 1.00 0.00 C ATOM 928 CD2 LEU B 26 -10.417 -10.968 1.488 1.00 0.00 C ATOM 0 H LEU B 26 -5.979 -9.450 2.943 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.099 -12.027 3.588 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.298 -9.807 2.863 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -7.852 -10.262 1.231 1.00 0.00 H new ATOM 0 HG LEU B 26 -8.934 -12.525 1.622 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.457 -12.729 3.568 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -8.772 -12.508 4.096 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -9.912 -11.142 4.161 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -11.255 -11.665 1.454 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.708 -10.077 2.045 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -10.138 -10.686 0.473 1.00 0.00 H new ATOM 940 N LEU B 27 -5.475 -11.533 0.752 1.00 0.00 N ATOM 941 CA LEU B 27 -4.836 -12.219 -0.368 1.00 0.00 C ATOM 942 C LEU B 27 -3.813 -13.233 0.139 1.00 0.00 C ATOM 943 O LEU B 27 -3.860 -14.410 -0.211 1.00 0.00 O ATOM 944 CB LEU B 27 -4.129 -11.214 -1.280 1.00 0.00 C ATOM 945 CG LEU B 27 -5.173 -10.411 -2.058 1.00 0.00 C ATOM 946 CD1 LEU B 27 -4.500 -9.208 -2.723 1.00 0.00 C ATOM 947 CD2 LEU B 27 -5.802 -11.299 -3.132 1.00 0.00 C ATOM 0 H LEU B 27 -5.321 -10.525 0.779 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.613 -12.736 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -3.506 -10.544 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -3.467 -11.736 -1.971 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.947 -10.063 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -5.244 -8.636 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -4.050 -8.574 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -3.726 -9.556 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -6.546 -10.727 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -5.028 -11.647 -3.816 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -6.281 -12.157 -2.660 1.00 0.00 H new ATOM 959 N GLU B 28 -2.885 -12.756 0.966 1.00 0.00 N ATOM 960 CA GLU B 28 -1.843 -13.624 1.521 1.00 0.00 C ATOM 961 C GLU B 28 -2.460 -14.806 2.269 1.00 0.00 C ATOM 962 O GLU B 28 -2.022 -15.946 2.125 1.00 0.00 O ATOM 963 CB GLU B 28 -0.952 -12.830 2.483 1.00 0.00 C ATOM 964 CG GLU B 28 0.219 -13.705 2.943 1.00 0.00 C ATOM 965 CD GLU B 28 1.476 -12.850 3.074 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.350 -11.703 3.473 1.00 0.00 O ATOM 967 OE2 GLU B 28 2.545 -13.355 2.774 1.00 0.00 O ATOM 0 H GLU B 28 -2.831 -11.783 1.266 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.244 -14.002 0.693 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.577 -11.933 1.990 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.533 -12.501 3.344 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.017 -14.172 3.899 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.387 -14.510 2.228 1.00 0.00 H new ATOM 974 N GLN B 29 -3.483 -14.519 3.071 1.00 0.00 N ATOM 975 CA GLN B 29 -4.159 -15.563 3.844 1.00 0.00 C ATOM 976 C GLN B 29 -4.680 -16.668 2.926 1.00 0.00 C ATOM 977 O GLN B 29 -4.758 -17.833 3.316 1.00 0.00 O ATOM 978 CB GLN B 29 -5.332 -14.973 4.628 1.00 0.00 C ATOM 979 CG GLN B 29 -5.818 -15.991 5.663 1.00 0.00 C ATOM 980 CD GLN B 29 -4.953 -15.895 6.915 1.00 0.00 C ATOM 981 OE1 GLN B 29 -3.726 -15.938 6.834 1.00 0.00 O ATOM 982 NE2 GLN B 29 -5.526 -15.765 8.080 1.00 0.00 N ATOM 0 H GLN B 29 -3.861 -13.581 3.203 1.00 0.00 H new ATOM 0 HA GLN B 29 -3.432 -15.986 4.537 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -5.025 -14.052 5.124 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -6.144 -14.714 3.948 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -6.862 -15.801 5.914 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -5.768 -16.998 5.250 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -6.543 -15.729 8.147 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -4.957 -15.699 8.924 1.00 0.00 H new ATOM 991 N GLN B 30 -5.036 -16.290 1.701 1.00 0.00 N ATOM 992 CA GLN B 30 -5.545 -17.256 0.732 1.00 0.00 C ATOM 993 C GLN B 30 -4.401 -17.827 -0.100 1.00 0.00 C ATOM 994 O GLN B 30 -4.410 -19.000 -0.474 1.00 0.00 O ATOM 995 CB GLN B 30 -6.560 -16.595 -0.202 1.00 0.00 C ATOM 996 CG GLN B 30 -7.603 -17.628 -0.636 1.00 0.00 C ATOM 997 CD GLN B 30 -8.638 -17.802 0.470 1.00 0.00 C ATOM 998 OE1 GLN B 30 -8.316 -17.694 1.653 1.00 0.00 O ATOM 999 NE2 GLN B 30 -9.876 -18.069 0.153 1.00 0.00 N ATOM 0 H GLN B 30 -4.982 -15.331 1.358 1.00 0.00 H new ATOM 0 HA GLN B 30 -6.032 -18.061 1.283 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -7.047 -15.761 0.304 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -6.053 -16.185 -1.076 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -8.090 -17.305 -1.556 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -7.119 -18.581 -0.849 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -10.143 -18.159 -0.827 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -10.576 -18.188 0.886 1.00 0.00 H new ATOM 1008 N VAL B 31 -3.414 -16.982 -0.381 1.00 0.00 N ATOM 1009 CA VAL B 31 -2.258 -17.405 -1.168 1.00 0.00 C ATOM 1010 C VAL B 31 -1.397 -18.377 -0.362 1.00 0.00 C ATOM 1011 O VAL B 31 -0.812 -19.311 -0.909 1.00 0.00 O ATOM 1012 CB VAL B 31 -1.416 -16.186 -1.568 1.00 0.00 C ATOM 1013 CG1 VAL B 31 -0.254 -16.624 -2.464 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -2.295 -15.184 -2.330 1.00 0.00 C ATOM 0 H VAL B 31 -3.390 -16.008 -0.079 1.00 0.00 H new ATOM 0 HA VAL B 31 -2.616 -17.905 -2.068 1.00 0.00 H new ATOM 0 HB VAL B 31 -1.019 -15.717 -0.668 1.00 0.00 H new ATOM 0 HG11 VAL B 31 0.338 -15.753 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL B 31 0.375 -17.332 -1.924 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -0.647 -17.099 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -1.697 -14.318 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -2.695 -15.659 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -3.118 -14.863 -1.691 1.00 0.00 H new ATOM 1024 N ARG B 32 -1.328 -18.143 0.945 1.00 0.00 N ATOM 1025 CA ARG B 32 -0.535 -19.003 1.821 1.00 0.00 C ATOM 1026 C ARG B 32 -1.101 -20.419 1.832 1.00 0.00 C ATOM 1027 O ARG B 32 -0.364 -21.396 1.957 1.00 0.00 O ATOM 1028 CB ARG B 32 -0.533 -18.455 3.249 1.00 0.00 C ATOM 1029 CG ARG B 32 0.458 -17.293 3.350 1.00 0.00 C ATOM 1030 CD ARG B 32 1.095 -17.285 4.740 1.00 0.00 C ATOM 1031 NE ARG B 32 2.283 -18.144 4.768 1.00 0.00 N ATOM 1032 CZ ARG B 32 3.188 -18.074 5.755 1.00 0.00 C ATOM 1033 NH1 ARG B 32 3.051 -17.229 6.748 1.00 0.00 N ATOM 1034 NH2 ARG B 32 4.226 -18.864 5.726 1.00 0.00 N ATOM 0 H ARG B 32 -1.805 -17.375 1.418 1.00 0.00 H new ATOM 0 HA ARG B 32 0.486 -19.023 1.439 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -1.533 -18.118 3.522 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -0.259 -19.242 3.951 1.00 0.00 H new ATOM 0 HG2 ARG B 32 1.229 -17.391 2.586 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -0.054 -16.348 3.167 1.00 0.00 H new ATOM 0 HD2 ARG B 32 1.370 -16.266 5.014 1.00 0.00 H new ATOM 0 HD3 ARG B 32 0.372 -17.630 5.479 1.00 0.00 H new ATOM 0 HE ARG B 32 2.425 -18.815 4.013 1.00 0.00 H new ATOM 0 HH11 ARG B 32 2.243 -16.607 6.781 1.00 0.00 H new ATOM 0 HH12 ARG B 32 3.752 -17.193 7.488 1.00 0.00 H new ATOM 0 HH21 ARG B 32 4.342 -19.525 4.958 1.00 0.00 H new ATOM 0 HH22 ARG B 32 4.921 -18.820 6.471 1.00 0.00 H new ATOM 1048 N ALA B 33 -2.421 -20.517 1.701 1.00 0.00 N ATOM 1049 CA ALA B 33 -3.081 -21.820 1.697 1.00 0.00 C ATOM 1050 C ALA B 33 -2.912 -22.499 0.342 1.00 0.00 C ATOM 1051 O ALA B 33 -2.778 -23.719 0.255 1.00 0.00 O ATOM 1052 CB ALA B 33 -4.573 -21.664 1.994 1.00 0.00 C ATOM 0 H ALA B 33 -3.049 -19.720 1.597 1.00 0.00 H new ATOM 0 HA ALA B 33 -2.619 -22.434 2.470 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -5.050 -22.644 1.987 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -4.703 -21.204 2.974 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -5.031 -21.032 1.233 1.00 0.00 H new ATOM 1058 N LEU B 34 -2.921 -21.692 -0.715 1.00 0.00 N ATOM 1059 CA LEU B 34 -2.768 -22.223 -2.067 1.00 0.00 C ATOM 1060 C LEU B 34 -1.337 -22.023 -2.556 1.00 0.00 C ATOM 1061 O LEU B 34 -1.095 -21.861 -3.753 1.00 0.00 O ATOM 1062 CB LEU B 34 -3.728 -21.516 -3.035 1.00 0.00 C ATOM 1063 CG LEU B 34 -5.150 -22.089 -2.902 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -5.147 -23.580 -3.249 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -5.656 -21.898 -1.469 1.00 0.00 C ATOM 0 H LEU B 34 -3.031 -20.679 -0.664 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.000 -23.288 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.740 -20.446 -2.827 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -3.375 -21.638 -4.059 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.809 -21.561 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -6.157 -23.978 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.800 -23.714 -4.274 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.481 -24.111 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -6.663 -22.306 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.993 -22.417 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.673 -20.835 -1.228 1.00 0.00 H new HETATM 1077 N NH2 B 35 -0.361 -22.027 -1.690 1.00 0.00 N TER 1080 NH2 B 35