USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 764 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 26 GLN : amide:sc= 0.834 K(o=-1.9,f=-4.2!) USER MOD Set 1.2: B 4 HIS : no HE2:sc= -2.75! C(o=-1.9!,f=-7.1!) USER MOD Set 2.1: A 4 HIS : no HE2:sc= -2.83! C(o=-1.9!,f=-7.2!) USER MOD Set 2.2: B 26 GLN : amide:sc= 0.903 K(o=-1.9,f=-4!) USER MOD Single : A 1 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.26) USER MOD Single : A 1 HIS N :NH3+ -156:sc= 0 (180deg=-0.628) USER MOD Single : A 2 MET CE :methyl -177:sc= 0 (180deg=-0.0113) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 165:sc= -4.6! USER MOD Single : A 19 THR OG1 : rot 35:sc= -3.6! USER MOD Single : A 25 GLN : amide:sc= -1.95! C(o=-2!,f=-2.4!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 82:sc= -2.08 USER MOD Single : B 1 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.34) USER MOD Single : B 1 HIS N :NH3+ -156:sc= 0 (180deg=-0.618) USER MOD Single : B 2 MET CE :methyl -178:sc= 0 (180deg=-0.00788) USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 18 TYR OH : rot 150:sc= -4.73! USER MOD Single : B 19 THR OG1 : rot 33:sc= -2.37 USER MOD Single : B 25 GLN : amide:sc= -1.95! C(o=-1.9!,f=-2.4!) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 75:sc= -2.23 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 16.745 25.496 8.407 1.00 10.00 N ATOM 2 CA HIS A 1 18.194 25.187 8.585 1.00 10.00 C ATOM 3 C HIS A 1 18.442 23.687 8.398 1.00 10.00 C ATOM 4 O HIS A 1 19.412 23.280 7.791 1.00 10.00 O ATOM 5 CB HIS A 1 18.519 25.610 10.019 1.00 10.00 C ATOM 6 CG HIS A 1 18.196 27.067 10.198 1.00 10.00 C ATOM 7 ND1 HIS A 1 18.553 28.024 9.260 1.00 10.00 N ATOM 8 CD2 HIS A 1 17.551 27.748 11.199 1.00 10.00 C ATOM 9 CE1 HIS A 1 18.124 29.216 9.713 1.00 10.00 C ATOM 10 NE2 HIS A 1 17.506 29.105 10.892 1.00 10.00 N ATOM 0 H1 HIS A 1 16.634 26.493 8.132 1.00 10.00 H new ATOM 0 H2 HIS A 1 16.348 24.885 7.664 1.00 10.00 H new ATOM 0 H3 HIS A 1 16.241 25.326 9.301 1.00 10.00 H new ATOM 0 HA HIS A 1 18.818 25.705 7.857 1.00 10.00 H new ATOM 0 HB2 HIS A 1 17.945 25.010 10.725 1.00 10.00 H new ATOM 0 HB3 HIS A 1 19.573 25.432 10.232 1.00 10.00 H new ATOM 0 HD2 HIS A 1 17.140 27.299 12.091 1.00 10.00 H new ATOM 0 HE1 HIS A 1 18.262 30.149 9.187 1.00 10.00 H new ATOM 0 HE2 HIS A 1 17.091 29.853 11.447 1.00 10.00 H new ATOM 20 N MET A 2 17.572 22.863 8.916 1.00 10.00 N ATOM 21 CA MET A 2 17.758 21.391 8.768 1.00 10.00 C ATOM 22 C MET A 2 16.881 20.859 7.632 1.00 10.00 C ATOM 23 O MET A 2 16.342 19.772 7.707 1.00 10.00 O ATOM 24 CB MET A 2 17.318 20.800 10.107 1.00 10.00 C ATOM 25 CG MET A 2 15.846 21.133 10.352 1.00 10.00 C ATOM 26 SD MET A 2 15.125 19.907 11.472 1.00 10.00 S ATOM 27 CE MET A 2 14.593 18.729 10.205 1.00 10.00 C ATOM 0 H MET A 2 16.741 23.145 9.435 1.00 10.00 H new ATOM 0 HA MET A 2 18.787 21.127 8.525 1.00 10.00 H new ATOM 0 HB2 MET A 2 17.462 19.720 10.105 1.00 10.00 H new ATOM 0 HB3 MET A 2 17.932 21.202 10.913 1.00 10.00 H new ATOM 0 HG2 MET A 2 15.755 22.131 10.781 1.00 10.00 H new ATOM 0 HG3 MET A 2 15.302 21.142 9.407 1.00 10.00 H new ATOM 0 HE1 MET A 2 14.064 17.901 10.677 1.00 10.00 H new ATOM 0 HE2 MET A 2 13.929 19.228 9.500 1.00 10.00 H new ATOM 0 HE3 MET A 2 15.465 18.347 9.674 1.00 10.00 H new ATOM 37 N GLY A 3 16.732 21.618 6.581 1.00 10.00 N ATOM 38 CA GLY A 3 15.890 21.156 5.443 1.00 10.00 C ATOM 39 C GLY A 3 14.448 21.615 5.657 1.00 10.00 C ATOM 40 O GLY A 3 14.180 22.507 6.437 1.00 10.00 O ATOM 0 H GLY A 3 17.157 22.538 6.462 1.00 10.00 H new ATOM 0 HA2 GLY A 3 16.275 21.557 4.505 1.00 10.00 H new ATOM 0 HA3 GLY A 3 15.929 20.069 5.365 1.00 10.00 H new ATOM 44 N HIS A 4 13.516 21.012 4.971 1.00 10.00 N ATOM 45 CA HIS A 4 12.091 21.416 5.139 1.00 10.00 C ATOM 46 C HIS A 4 11.215 20.186 5.383 1.00 10.00 C ATOM 47 O HIS A 4 11.704 19.099 5.620 1.00 10.00 O ATOM 48 CB HIS A 4 11.712 22.094 3.820 1.00 10.00 C ATOM 49 CG HIS A 4 11.845 21.113 2.684 1.00 10.00 C ATOM 50 ND1 HIS A 4 11.872 21.521 1.359 1.00 10.00 N ATOM 51 CD2 HIS A 4 11.953 19.743 2.656 1.00 10.00 C ATOM 52 CE1 HIS A 4 11.991 20.419 0.597 1.00 10.00 C ATOM 53 NE2 HIS A 4 12.044 19.308 1.337 1.00 10.00 N ATOM 0 H HIS A 4 13.679 20.259 4.303 1.00 10.00 H new ATOM 0 HA HIS A 4 11.949 22.078 5.993 1.00 10.00 H new ATOM 0 HB2 HIS A 4 10.689 22.466 3.873 1.00 10.00 H new ATOM 0 HB3 HIS A 4 12.356 22.956 3.645 1.00 10.00 H new ATOM 0 HD1 HIS A 4 11.812 22.482 1.023 1.00 10.00 H new ATOM 0 HD2 HIS A 4 11.965 19.102 3.525 1.00 10.00 H new ATOM 0 HE1 HIS A 4 12.038 20.431 -0.482 1.00 10.00 H new ATOM 61 N ILE A 5 9.922 20.348 5.328 1.00 10.00 N ATOM 62 CA ILE A 5 9.015 19.188 5.556 1.00 10.00 C ATOM 63 C ILE A 5 8.111 18.980 4.337 1.00 10.00 C ATOM 64 O ILE A 5 7.078 19.604 4.205 1.00 10.00 O ATOM 65 CB ILE A 5 8.184 19.568 6.782 1.00 10.00 C ATOM 66 CG1 ILE A 5 9.081 19.581 8.021 1.00 10.00 C ATOM 67 CG2 ILE A 5 7.065 18.544 6.978 1.00 10.00 C ATOM 68 CD1 ILE A 5 9.647 18.178 8.253 1.00 10.00 C ATOM 0 H ILE A 5 9.454 21.234 5.135 1.00 10.00 H new ATOM 0 HA ILE A 5 9.563 18.258 5.709 1.00 10.00 H new ATOM 0 HB ILE A 5 7.751 20.557 6.634 1.00 10.00 H new ATOM 0 HG12 ILE A 5 9.893 20.296 7.888 1.00 10.00 H new ATOM 0 HG13 ILE A 5 8.512 19.904 8.892 1.00 10.00 H new ATOM 0 HG21 ILE A 5 6.473 18.815 7.852 1.00 10.00 H new ATOM 0 HG22 ILE A 5 6.425 18.531 6.096 1.00 10.00 H new ATOM 0 HG23 ILE A 5 7.499 17.555 7.126 1.00 10.00 H new ATOM 0 HD11 ILE A 5 10.287 18.185 9.136 1.00 10.00 H new ATOM 0 HD12 ILE A 5 8.827 17.475 8.404 1.00 10.00 H new ATOM 0 HD13 ILE A 5 10.231 17.873 7.384 1.00 10.00 H new ATOM 80 N GLN A 6 8.495 18.110 3.443 1.00 10.00 N ATOM 81 CA GLN A 6 7.658 17.866 2.233 1.00 10.00 C ATOM 82 C GLN A 6 7.699 16.386 1.846 1.00 10.00 C ATOM 83 O GLN A 6 8.648 15.684 2.133 1.00 10.00 O ATOM 84 CB GLN A 6 8.287 18.725 1.135 1.00 10.00 C ATOM 85 CG GLN A 6 7.352 19.890 0.798 1.00 10.00 C ATOM 86 CD GLN A 6 6.316 19.434 -0.230 1.00 10.00 C ATOM 87 OE1 GLN A 6 6.662 19.044 -1.328 1.00 10.00 O ATOM 88 NE2 GLN A 6 5.049 19.466 0.080 1.00 10.00 N ATOM 0 H GLN A 6 9.351 17.558 3.498 1.00 10.00 H new ATOM 0 HA GLN A 6 6.611 18.119 2.400 1.00 10.00 H new ATOM 0 HB2 GLN A 6 9.254 19.105 1.465 1.00 10.00 H new ATOM 0 HB3 GLN A 6 8.468 18.121 0.246 1.00 10.00 H new ATOM 0 HG2 GLN A 6 6.853 20.242 1.701 1.00 10.00 H new ATOM 0 HG3 GLN A 6 7.926 20.728 0.404 1.00 10.00 H new ATOM 0 HE21 GLN A 6 4.757 19.793 1.001 1.00 10.00 H new ATOM 0 HE22 GLN A 6 4.350 19.164 -0.599 1.00 10.00 H new ATOM 97 N ILE A 7 6.675 15.905 1.192 1.00 10.00 N ATOM 98 CA ILE A 7 6.655 14.471 0.784 1.00 10.00 C ATOM 99 C ILE A 7 6.842 14.353 -0.731 1.00 10.00 C ATOM 100 O ILE A 7 5.885 14.201 -1.465 1.00 10.00 O ATOM 101 CB ILE A 7 5.274 13.960 1.197 1.00 10.00 C ATOM 102 CG1 ILE A 7 5.000 14.350 2.652 1.00 10.00 C ATOM 103 CG2 ILE A 7 5.231 12.436 1.063 1.00 10.00 C ATOM 104 CD1 ILE A 7 6.071 13.740 3.557 1.00 10.00 C ATOM 0 H ILE A 7 5.852 16.444 0.923 1.00 10.00 H new ATOM 0 HA ILE A 7 7.456 13.896 1.249 1.00 10.00 H new ATOM 0 HB ILE A 7 4.516 14.403 0.551 1.00 10.00 H new ATOM 0 HG12 ILE A 7 4.998 15.435 2.754 1.00 10.00 H new ATOM 0 HG13 ILE A 7 4.013 14.000 2.953 1.00 10.00 H new ATOM 0 HG21 ILE A 7 4.247 12.072 1.358 1.00 10.00 H new ATOM 0 HG22 ILE A 7 5.426 12.156 0.028 1.00 10.00 H new ATOM 0 HG23 ILE A 7 5.989 11.992 1.708 1.00 10.00 H new ATOM 0 HD11 ILE A 7 5.874 14.019 4.592 1.00 10.00 H new ATOM 0 HD12 ILE A 7 6.051 12.654 3.463 1.00 10.00 H new ATOM 0 HD13 ILE A 7 7.052 14.112 3.261 1.00 10.00 H new ATOM 116 N PRO A 8 8.075 14.427 -1.147 1.00 10.00 N ATOM 117 CA PRO A 8 8.406 14.330 -2.590 1.00 10.00 C ATOM 118 C PRO A 8 8.180 12.904 -3.101 1.00 10.00 C ATOM 119 O PRO A 8 8.624 11.949 -2.493 1.00 10.00 O ATOM 120 CB PRO A 8 9.878 14.705 -2.650 1.00 10.00 C ATOM 121 CG PRO A 8 10.402 14.390 -1.293 1.00 10.00 C ATOM 122 CD PRO A 8 9.271 14.607 -0.323 1.00 10.00 C ATOM 0 HA PRO A 8 7.785 14.973 -3.213 1.00 10.00 H new ATOM 0 HB2 PRO A 8 10.401 14.136 -3.419 1.00 10.00 H new ATOM 0 HB3 PRO A 8 10.009 15.760 -2.890 1.00 10.00 H new ATOM 0 HG2 PRO A 8 10.758 13.361 -1.246 1.00 10.00 H new ATOM 0 HG3 PRO A 8 11.249 15.031 -1.048 1.00 10.00 H new ATOM 0 HD2 PRO A 8 9.304 13.891 0.498 1.00 10.00 H new ATOM 0 HD3 PRO A 8 9.307 15.602 0.120 1.00 10.00 H new ATOM 130 N PRO A 9 7.493 12.812 -4.206 1.00 10.00 N ATOM 131 CA PRO A 9 7.199 11.491 -4.814 1.00 10.00 C ATOM 132 C PRO A 9 8.462 10.898 -5.448 1.00 10.00 C ATOM 133 O PRO A 9 9.453 11.576 -5.629 1.00 10.00 O ATOM 134 CB PRO A 9 6.154 11.813 -5.879 1.00 10.00 C ATOM 135 CG PRO A 9 6.382 13.251 -6.222 1.00 10.00 C ATOM 136 CD PRO A 9 6.933 13.918 -4.988 1.00 10.00 C ATOM 0 HA PRO A 9 6.851 10.754 -4.090 1.00 10.00 H new ATOM 0 HB2 PRO A 9 6.273 11.175 -6.754 1.00 10.00 H new ATOM 0 HB3 PRO A 9 5.144 11.652 -5.502 1.00 10.00 H new ATOM 0 HG2 PRO A 9 7.080 13.343 -7.054 1.00 10.00 H new ATOM 0 HG3 PRO A 9 5.451 13.725 -6.533 1.00 10.00 H new ATOM 0 HD2 PRO A 9 7.696 14.655 -5.240 1.00 10.00 H new ATOM 0 HD3 PRO A 9 6.153 14.442 -4.436 1.00 10.00 H new ATOM 144 N GLY A 10 8.432 9.638 -5.785 1.00 10.00 N ATOM 145 CA GLY A 10 9.630 9.002 -6.405 1.00 10.00 C ATOM 146 C GLY A 10 10.012 7.752 -5.609 1.00 10.00 C ATOM 147 O GLY A 10 10.650 6.852 -6.119 1.00 10.00 O ATOM 0 H GLY A 10 7.630 9.021 -5.658 1.00 10.00 H new ATOM 0 HA2 GLY A 10 9.419 8.736 -7.441 1.00 10.00 H new ATOM 0 HA3 GLY A 10 10.462 9.706 -6.419 1.00 10.00 H new ATOM 151 N LEU A 11 9.630 7.693 -4.363 1.00 10.00 N ATOM 152 CA LEU A 11 9.972 6.504 -3.531 1.00 10.00 C ATOM 153 C LEU A 11 8.983 5.365 -3.801 1.00 10.00 C ATOM 154 O LEU A 11 9.359 4.292 -4.228 1.00 10.00 O ATOM 155 CB LEU A 11 9.857 6.989 -2.084 1.00 10.00 C ATOM 156 CG LEU A 11 9.711 5.791 -1.142 1.00 10.00 C ATOM 157 CD1 LEU A 11 10.836 5.816 -0.107 1.00 10.00 C ATOM 158 CD2 LEU A 11 8.360 5.870 -0.425 1.00 10.00 C ATOM 0 H LEU A 11 9.095 8.418 -3.884 1.00 10.00 H new ATOM 0 HA LEU A 11 10.966 6.116 -3.752 1.00 10.00 H new ATOM 0 HB2 LEU A 11 10.740 7.569 -1.815 1.00 10.00 H new ATOM 0 HB3 LEU A 11 8.997 7.651 -1.981 1.00 10.00 H new ATOM 0 HG LEU A 11 9.766 4.867 -1.718 1.00 10.00 H new ATOM 0 HD11 LEU A 11 10.732 4.963 0.564 1.00 10.00 H new ATOM 0 HD12 LEU A 11 11.799 5.763 -0.615 1.00 10.00 H new ATOM 0 HD13 LEU A 11 10.780 6.740 0.469 1.00 10.00 H new ATOM 0 HD21 LEU A 11 8.254 5.018 0.246 1.00 10.00 H new ATOM 0 HD22 LEU A 11 8.307 6.794 0.151 1.00 10.00 H new ATOM 0 HD23 LEU A 11 7.556 5.854 -1.161 1.00 10.00 H new ATOM 170 N THR A 12 7.722 5.592 -3.549 1.00 10.00 N ATOM 171 CA THR A 12 6.707 4.525 -3.785 1.00 10.00 C ATOM 172 C THR A 12 7.021 3.764 -5.076 1.00 10.00 C ATOM 173 O THR A 12 7.584 2.689 -5.054 1.00 10.00 O ATOM 174 CB THR A 12 5.375 5.266 -3.908 1.00 10.00 C ATOM 175 OG1 THR A 12 5.072 5.901 -2.674 1.00 10.00 O ATOM 176 CG2 THR A 12 4.267 4.272 -4.260 1.00 10.00 C ATOM 0 H THR A 12 7.350 6.471 -3.189 1.00 10.00 H new ATOM 0 HA THR A 12 6.692 3.788 -2.982 1.00 10.00 H new ATOM 0 HB THR A 12 5.448 6.018 -4.694 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.219 6.378 -2.752 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.318 4.801 -4.347 1.00 10.00 H new ATOM 0 HG22 THR A 12 4.501 3.787 -5.208 1.00 10.00 H new ATOM 0 HG23 THR A 12 4.192 3.519 -3.476 1.00 10.00 H new ATOM 184 N GLU A 13 6.656 4.317 -6.197 1.00 10.00 N ATOM 185 CA GLU A 13 6.926 3.631 -7.496 1.00 10.00 C ATOM 186 C GLU A 13 8.304 2.965 -7.472 1.00 10.00 C ATOM 187 O GLU A 13 8.451 1.811 -7.821 1.00 10.00 O ATOM 188 CB GLU A 13 6.887 4.743 -8.544 1.00 10.00 C ATOM 189 CG GLU A 13 5.443 4.959 -9.005 1.00 10.00 C ATOM 190 CD GLU A 13 4.820 6.110 -8.210 1.00 10.00 C ATOM 191 OE1 GLU A 13 5.129 7.250 -8.516 1.00 10.00 O ATOM 192 OE2 GLU A 13 4.046 5.831 -7.310 1.00 10.00 O ATOM 0 H GLU A 13 6.181 5.216 -6.273 1.00 10.00 H new ATOM 0 HA GLU A 13 6.200 2.845 -7.705 1.00 10.00 H new ATOM 0 HB2 GLU A 13 7.288 5.666 -8.126 1.00 10.00 H new ATOM 0 HB3 GLU A 13 7.516 4.478 -9.394 1.00 10.00 H new ATOM 0 HG2 GLU A 13 5.420 5.185 -10.071 1.00 10.00 H new ATOM 0 HG3 GLU A 13 4.863 4.047 -8.860 1.00 10.00 H new ATOM 199 N LEU A 14 9.314 3.683 -7.065 1.00 10.00 N ATOM 200 CA LEU A 14 10.682 3.089 -7.022 1.00 10.00 C ATOM 201 C LEU A 14 10.700 1.864 -6.104 1.00 10.00 C ATOM 202 O LEU A 14 11.314 0.860 -6.404 1.00 10.00 O ATOM 203 CB LEU A 14 11.577 4.193 -6.460 1.00 10.00 C ATOM 204 CG LEU A 14 13.032 3.721 -6.462 1.00 10.00 C ATOM 205 CD1 LEU A 14 13.771 4.351 -7.644 1.00 10.00 C ATOM 206 CD2 LEU A 14 13.706 4.145 -5.156 1.00 10.00 C ATOM 0 H LEU A 14 9.253 4.655 -6.760 1.00 10.00 H new ATOM 0 HA LEU A 14 11.016 2.754 -8.004 1.00 10.00 H new ATOM 0 HB2 LEU A 14 11.476 5.098 -7.059 1.00 10.00 H new ATOM 0 HB3 LEU A 14 11.267 4.446 -5.446 1.00 10.00 H new ATOM 0 HG LEU A 14 13.062 2.635 -6.552 1.00 10.00 H new ATOM 0 HD11 LEU A 14 14.808 4.015 -7.646 1.00 10.00 H new ATOM 0 HD12 LEU A 14 13.291 4.051 -8.575 1.00 10.00 H new ATOM 0 HD13 LEU A 14 13.742 5.437 -7.554 1.00 10.00 H new ATOM 0 HD21 LEU A 14 14.743 3.809 -5.156 1.00 10.00 H new ATOM 0 HD22 LEU A 14 13.676 5.231 -5.067 1.00 10.00 H new ATOM 0 HD23 LEU A 14 13.180 3.697 -4.313 1.00 10.00 H new ATOM 218 N LEU A 15 10.030 1.937 -4.986 1.00 10.00 N ATOM 219 CA LEU A 15 10.011 0.776 -4.050 1.00 10.00 C ATOM 220 C LEU A 15 9.290 -0.412 -4.692 1.00 10.00 C ATOM 221 O LEU A 15 9.885 -1.436 -4.965 1.00 10.00 O ATOM 222 CB LEU A 15 9.243 1.268 -2.824 1.00 10.00 C ATOM 223 CG LEU A 15 10.124 2.224 -2.019 1.00 10.00 C ATOM 224 CD1 LEU A 15 9.448 2.540 -0.684 1.00 10.00 C ATOM 225 CD2 LEU A 15 11.482 1.569 -1.760 1.00 10.00 C ATOM 0 H LEU A 15 9.495 2.750 -4.680 1.00 10.00 H new ATOM 0 HA LEU A 15 11.015 0.437 -3.794 1.00 10.00 H new ATOM 0 HB2 LEU A 15 8.328 1.773 -3.134 1.00 10.00 H new ATOM 0 HB3 LEU A 15 8.946 0.422 -2.204 1.00 10.00 H new ATOM 0 HG LEU A 15 10.266 3.147 -2.581 1.00 10.00 H new ATOM 0 HD11 LEU A 15 10.076 3.221 -0.110 1.00 10.00 H new ATOM 0 HD12 LEU A 15 8.480 3.006 -0.868 1.00 10.00 H new ATOM 0 HD13 LEU A 15 9.305 1.618 -0.121 1.00 10.00 H new ATOM 0 HD21 LEU A 15 12.111 2.250 -1.186 1.00 10.00 H new ATOM 0 HD22 LEU A 15 11.339 0.646 -1.198 1.00 10.00 H new ATOM 0 HD23 LEU A 15 11.965 1.344 -2.711 1.00 10.00 H new ATOM 237 N GLN A 16 8.013 -0.285 -4.932 1.00 10.00 N ATOM 238 CA GLN A 16 7.254 -1.409 -5.554 1.00 10.00 C ATOM 239 C GLN A 16 8.100 -2.078 -6.641 1.00 10.00 C ATOM 240 O GLN A 16 8.183 -3.288 -6.719 1.00 10.00 O ATOM 241 CB GLN A 16 6.012 -0.758 -6.164 1.00 10.00 C ATOM 242 CG GLN A 16 4.778 -1.152 -5.350 1.00 10.00 C ATOM 243 CD GLN A 16 3.628 -1.494 -6.299 1.00 10.00 C ATOM 244 OE1 GLN A 16 3.233 -0.680 -7.111 1.00 10.00 O ATOM 245 NE2 GLN A 16 3.070 -2.672 -6.232 1.00 10.00 N ATOM 0 H GLN A 16 7.462 0.548 -4.725 1.00 10.00 H new ATOM 0 HA GLN A 16 6.994 -2.183 -4.832 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.124 0.326 -6.173 1.00 10.00 H new ATOM 0 HB3 GLN A 16 5.894 -1.075 -7.200 1.00 10.00 H new ATOM 0 HG2 GLN A 16 5.006 -2.008 -4.715 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.488 -0.334 -4.690 1.00 10.00 H new ATOM 0 HE21 GLN A 16 3.401 -3.355 -5.551 1.00 10.00 H new ATOM 0 HE22 GLN A 16 2.303 -2.909 -6.861 1.00 10.00 H new ATOM 254 N GLY A 17 8.730 -1.301 -7.478 1.00 10.00 N ATOM 255 CA GLY A 17 9.570 -1.894 -8.556 1.00 10.00 C ATOM 256 C GLY A 17 10.583 -2.859 -7.939 1.00 10.00 C ATOM 257 O GLY A 17 10.748 -3.977 -8.392 1.00 10.00 O ATOM 0 H GLY A 17 8.699 -0.282 -7.462 1.00 10.00 H new ATOM 0 HA2 GLY A 17 8.941 -2.420 -9.274 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.088 -1.106 -9.103 1.00 10.00 H new ATOM 261 N TYR A 18 11.260 -2.444 -6.904 1.00 10.00 N ATOM 262 CA TYR A 18 12.252 -3.339 -6.262 1.00 10.00 C ATOM 263 C TYR A 18 11.524 -4.462 -5.515 1.00 10.00 C ATOM 264 O TYR A 18 11.731 -5.631 -5.773 1.00 10.00 O ATOM 265 CB TYR A 18 13.007 -2.429 -5.301 1.00 10.00 C ATOM 266 CG TYR A 18 13.183 -3.130 -3.988 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.940 -4.300 -3.925 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.588 -2.609 -2.842 1.00 10.00 C ATOM 269 CE1 TYR A 18 14.106 -4.957 -2.700 1.00 10.00 C ATOM 270 CE2 TYR A 18 12.749 -3.263 -1.613 1.00 10.00 C ATOM 271 CZ TYR A 18 13.510 -4.438 -1.542 1.00 10.00 C ATOM 272 OH TYR A 18 13.673 -5.082 -0.333 1.00 10.00 O ATOM 0 H TYR A 18 11.166 -1.522 -6.478 1.00 10.00 H new ATOM 0 HA TYR A 18 12.923 -3.824 -6.971 1.00 10.00 H new ATOM 0 HB2 TYR A 18 13.979 -2.166 -5.719 1.00 10.00 H new ATOM 0 HB3 TYR A 18 12.459 -1.498 -5.158 1.00 10.00 H new ATOM 0 HD1 TYR A 18 14.397 -4.698 -4.819 1.00 10.00 H new ATOM 0 HD2 TYR A 18 12.004 -1.703 -2.900 1.00 10.00 H new ATOM 0 HE1 TYR A 18 14.692 -5.862 -2.647 1.00 10.00 H new ATOM 0 HE2 TYR A 18 12.288 -2.862 -0.722 1.00 10.00 H new ATOM 0 HH TYR A 18 13.410 -4.482 0.396 1.00 10.00 H new ATOM 282 N THR A 19 10.664 -4.114 -4.596 1.00 10.00 N ATOM 283 CA THR A 19 9.917 -5.162 -3.845 1.00 10.00 C ATOM 284 C THR A 19 9.275 -6.137 -4.834 1.00 10.00 C ATOM 285 O THR A 19 9.044 -7.289 -4.526 1.00 10.00 O ATOM 286 CB THR A 19 8.845 -4.401 -3.060 1.00 10.00 C ATOM 287 OG1 THR A 19 9.419 -3.862 -1.875 1.00 10.00 O ATOM 288 CG2 THR A 19 7.706 -5.353 -2.688 1.00 10.00 C ATOM 0 H THR A 19 10.447 -3.152 -4.334 1.00 10.00 H new ATOM 0 HA THR A 19 10.558 -5.746 -3.184 1.00 10.00 H new ATOM 0 HB THR A 19 8.452 -3.592 -3.676 1.00 10.00 H new ATOM 0 HG1 THR A 19 10.347 -3.599 -2.051 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.945 -4.809 -2.129 1.00 10.00 H new ATOM 0 HG22 THR A 19 7.265 -5.765 -3.596 1.00 10.00 H new ATOM 0 HG23 THR A 19 8.096 -6.164 -2.074 1.00 10.00 H new ATOM 296 N VAL A 20 8.988 -5.680 -6.022 1.00 10.00 N ATOM 297 CA VAL A 20 8.366 -6.575 -7.035 1.00 10.00 C ATOM 298 C VAL A 20 9.404 -7.567 -7.565 1.00 10.00 C ATOM 299 O VAL A 20 9.081 -8.682 -7.921 1.00 10.00 O ATOM 300 CB VAL A 20 7.891 -5.644 -8.150 1.00 10.00 C ATOM 301 CG1 VAL A 20 7.686 -6.446 -9.438 1.00 10.00 C ATOM 302 CG2 VAL A 20 6.566 -4.997 -7.741 1.00 10.00 C ATOM 0 H VAL A 20 9.158 -4.724 -6.334 1.00 10.00 H new ATOM 0 HA VAL A 20 7.546 -7.162 -6.622 1.00 10.00 H new ATOM 0 HB VAL A 20 8.641 -4.871 -8.319 1.00 10.00 H new ATOM 0 HG11 VAL A 20 7.347 -5.780 -10.231 1.00 10.00 H new ATOM 0 HG12 VAL A 20 8.628 -6.910 -9.731 1.00 10.00 H new ATOM 0 HG13 VAL A 20 6.937 -7.220 -9.270 1.00 10.00 H new ATOM 0 HG21 VAL A 20 6.225 -4.332 -8.535 1.00 10.00 H new ATOM 0 HG22 VAL A 20 5.819 -5.773 -7.572 1.00 10.00 H new ATOM 0 HG23 VAL A 20 6.708 -4.424 -6.825 1.00 10.00 H new ATOM 312 N GLU A 21 10.649 -7.174 -7.615 1.00 10.00 N ATOM 313 CA GLU A 21 11.704 -8.110 -8.121 1.00 10.00 C ATOM 314 C GLU A 21 12.001 -9.170 -7.064 1.00 10.00 C ATOM 315 O GLU A 21 12.322 -10.301 -7.371 1.00 10.00 O ATOM 316 CB GLU A 21 12.962 -7.266 -8.368 1.00 10.00 C ATOM 317 CG GLU A 21 12.585 -5.807 -8.591 1.00 10.00 C ATOM 318 CD GLU A 21 13.602 -5.152 -9.526 1.00 10.00 C ATOM 319 OE1 GLU A 21 14.787 -5.364 -9.323 1.00 10.00 O ATOM 320 OE2 GLU A 21 13.181 -4.448 -10.429 1.00 10.00 O ATOM 0 H GLU A 21 10.983 -6.253 -7.330 1.00 10.00 H new ATOM 0 HA GLU A 21 11.379 -8.613 -9.032 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.636 -7.348 -7.516 1.00 10.00 H new ATOM 0 HB3 GLU A 21 13.499 -7.647 -9.237 1.00 10.00 H new ATOM 0 HG2 GLU A 21 11.585 -5.741 -9.021 1.00 10.00 H new ATOM 0 HG3 GLU A 21 12.558 -5.278 -7.638 1.00 10.00 H new ATOM 327 N VAL A 22 11.903 -8.804 -5.818 1.00 10.00 N ATOM 328 CA VAL A 22 12.187 -9.780 -4.728 1.00 10.00 C ATOM 329 C VAL A 22 11.072 -10.825 -4.659 1.00 10.00 C ATOM 330 O VAL A 22 11.322 -12.002 -4.499 1.00 10.00 O ATOM 331 CB VAL A 22 12.234 -8.952 -3.441 1.00 10.00 C ATOM 332 CG1 VAL A 22 13.147 -9.644 -2.433 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.790 -7.556 -3.737 1.00 10.00 C ATOM 0 H VAL A 22 11.638 -7.870 -5.505 1.00 10.00 H new ATOM 0 HA VAL A 22 13.121 -10.318 -4.890 1.00 10.00 H new ATOM 0 HB VAL A 22 11.226 -8.862 -3.037 1.00 10.00 H new ATOM 0 HG11 VAL A 22 13.184 -9.059 -1.514 1.00 10.00 H new ATOM 0 HG12 VAL A 22 12.759 -10.639 -2.214 1.00 10.00 H new ATOM 0 HG13 VAL A 22 14.151 -9.729 -2.850 1.00 10.00 H new ATOM 0 HG21 VAL A 22 12.820 -6.974 -2.816 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.797 -7.644 -4.144 1.00 10.00 H new ATOM 0 HG23 VAL A 22 12.149 -7.055 -4.462 1.00 10.00 H new ATOM 343 N LEU A 23A 9.844 -10.404 -4.785 1.00 10.00 N ATOM 344 CA LEU A 23A 8.717 -11.377 -4.734 1.00 10.00 C ATOM 345 C LEU A 23A 8.562 -12.062 -6.094 1.00 10.00 C ATOM 346 O LEU A 23A 7.804 -13.000 -6.247 1.00 10.00 O ATOM 347 CB LEU A 23A 7.481 -10.538 -4.406 1.00 10.00 C ATOM 348 CG LEU A 23A 7.406 -10.309 -2.896 1.00 10.00 C ATOM 349 CD1 LEU A 23A 8.687 -9.624 -2.417 1.00 10.00 C ATOM 350 CD2 LEU A 23A 6.203 -9.419 -2.576 1.00 10.00 C ATOM 0 H LEU A 23A 9.572 -9.430 -4.921 1.00 10.00 H new ATOM 0 HA LEU A 23A 8.876 -12.163 -3.996 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 7.528 -9.582 -4.928 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 6.581 -11.046 -4.753 1.00 10.00 H new ATOM 0 HG LEU A 23A 7.297 -11.268 -2.389 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 8.632 -9.461 -1.341 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 9.545 -10.256 -2.645 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 8.798 -8.665 -2.923 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 6.148 -9.255 -1.500 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 6.314 -8.461 -3.084 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 5.289 -9.906 -2.916 1.00 10.00 H new ATOM 362 N ARG A 24 9.280 -11.599 -7.082 1.00 10.00 N ATOM 363 CA ARG A 24 9.184 -12.219 -8.436 1.00 10.00 C ATOM 364 C ARG A 24 10.368 -13.164 -8.662 1.00 10.00 C ATOM 365 O ARG A 24 10.245 -14.186 -9.307 1.00 10.00 O ATOM 366 CB ARG A 24 9.229 -11.034 -9.410 1.00 10.00 C ATOM 367 CG ARG A 24 9.979 -11.419 -10.689 1.00 10.00 C ATOM 368 CD ARG A 24 9.116 -12.360 -11.532 1.00 10.00 C ATOM 369 NE ARG A 24 9.499 -12.063 -12.941 1.00 10.00 N ATOM 370 CZ ARG A 24 9.168 -12.888 -13.897 1.00 10.00 C ATOM 371 NH1 ARG A 24 9.810 -14.015 -14.036 1.00 10.00 N ATOM 372 NH2 ARG A 24 8.197 -12.583 -14.713 1.00 10.00 N ATOM 0 H ARG A 24 9.930 -10.817 -7.010 1.00 10.00 H new ATOM 0 HA ARG A 24 8.280 -12.814 -8.566 1.00 10.00 H new ATOM 0 HB2 ARG A 24 8.215 -10.720 -9.657 1.00 10.00 H new ATOM 0 HB3 ARG A 24 9.720 -10.184 -8.936 1.00 10.00 H new ATOM 0 HG2 ARG A 24 10.224 -10.524 -11.261 1.00 10.00 H new ATOM 0 HG3 ARG A 24 10.922 -11.904 -10.437 1.00 10.00 H new ATOM 0 HD2 ARG A 24 9.307 -13.403 -11.281 1.00 10.00 H new ATOM 0 HD3 ARG A 24 8.054 -12.181 -11.364 1.00 10.00 H new ATOM 0 HE ARG A 24 10.021 -11.214 -13.159 1.00 10.00 H new ATOM 0 HH11 ARG A 24 10.570 -14.251 -13.398 1.00 10.00 H new ATOM 0 HH12 ARG A 24 9.552 -14.660 -14.783 1.00 10.00 H new ATOM 0 HH21 ARG A 24 7.697 -11.701 -14.604 1.00 10.00 H new ATOM 0 HH22 ARG A 24 7.938 -13.227 -15.460 1.00 10.00 H new ATOM 386 N GLN A 25 11.516 -12.826 -8.141 1.00 10.00 N ATOM 387 CA GLN A 25 12.704 -13.699 -8.331 1.00 10.00 C ATOM 388 C GLN A 25 13.151 -14.292 -6.990 1.00 10.00 C ATOM 389 O GLN A 25 13.908 -15.241 -6.942 1.00 10.00 O ATOM 390 CB GLN A 25 13.782 -12.778 -8.916 1.00 10.00 C ATOM 391 CG GLN A 25 14.755 -12.336 -7.818 1.00 10.00 C ATOM 392 CD GLN A 25 15.894 -11.528 -8.445 1.00 10.00 C ATOM 393 OE1 GLN A 25 16.047 -11.506 -9.650 1.00 10.00 O ATOM 394 NE2 GLN A 25 16.704 -10.857 -7.673 1.00 10.00 N ATOM 0 H GLN A 25 11.680 -11.982 -7.592 1.00 10.00 H new ATOM 0 HA GLN A 25 12.498 -14.545 -8.987 1.00 10.00 H new ATOM 0 HB2 GLN A 25 14.325 -13.298 -9.705 1.00 10.00 H new ATOM 0 HB3 GLN A 25 13.316 -11.904 -9.372 1.00 10.00 H new ATOM 0 HG2 GLN A 25 14.233 -11.733 -7.075 1.00 10.00 H new ATOM 0 HG3 GLN A 25 15.155 -13.207 -7.299 1.00 10.00 H new ATOM 0 HE21 GLN A 25 16.576 -10.875 -6.661 1.00 10.00 H new ATOM 0 HE22 GLN A 25 17.465 -10.314 -8.081 1.00 10.00 H new ATOM 403 N GLN A 26 12.689 -13.740 -5.900 1.00 10.00 N ATOM 404 CA GLN A 26 13.092 -14.275 -4.568 1.00 10.00 C ATOM 405 C GLN A 26 14.590 -14.590 -4.560 1.00 10.00 C ATOM 406 O GLN A 26 14.986 -15.732 -4.691 1.00 10.00 O ATOM 407 CB GLN A 26 12.272 -15.554 -4.389 1.00 10.00 C ATOM 408 CG GLN A 26 11.408 -15.437 -3.132 1.00 10.00 C ATOM 409 CD GLN A 26 12.308 -15.386 -1.896 1.00 10.00 C ATOM 410 OE1 GLN A 26 12.807 -14.337 -1.537 1.00 10.00 O ATOM 411 NE2 GLN A 26 12.541 -16.481 -1.226 1.00 10.00 N ATOM 0 H GLN A 26 12.052 -12.944 -5.875 1.00 10.00 H new ATOM 0 HA GLN A 26 12.912 -13.562 -3.763 1.00 10.00 H new ATOM 0 HB2 GLN A 26 11.641 -15.719 -5.262 1.00 10.00 H new ATOM 0 HB3 GLN A 26 12.935 -16.415 -4.308 1.00 10.00 H new ATOM 0 HG2 GLN A 26 10.792 -14.539 -3.184 1.00 10.00 H new ATOM 0 HG3 GLN A 26 10.728 -16.286 -3.065 1.00 10.00 H new ATOM 0 HE21 GLN A 26 12.123 -17.361 -1.526 1.00 10.00 H new ATOM 0 HE22 GLN A 26 13.141 -16.457 -0.402 1.00 10.00 H new ATOM 420 N PRO A 27 15.374 -13.558 -4.410 1.00 10.00 N ATOM 421 CA PRO A 27 16.848 -13.714 -4.387 1.00 10.00 C ATOM 422 C PRO A 27 17.296 -14.436 -3.112 1.00 10.00 C ATOM 423 O PRO A 27 16.510 -14.651 -2.211 1.00 10.00 O ATOM 424 CB PRO A 27 17.362 -12.276 -4.409 1.00 10.00 C ATOM 425 CG PRO A 27 16.240 -11.464 -3.847 1.00 10.00 C ATOM 426 CD PRO A 27 14.968 -12.160 -4.248 1.00 10.00 C ATOM 0 HA PRO A 27 17.226 -14.310 -5.218 1.00 10.00 H new ATOM 0 HB2 PRO A 27 18.267 -12.170 -3.810 1.00 10.00 H new ATOM 0 HB3 PRO A 27 17.611 -11.960 -5.422 1.00 10.00 H new ATOM 0 HG2 PRO A 27 16.318 -11.393 -2.762 1.00 10.00 H new ATOM 0 HG3 PRO A 27 16.265 -10.446 -4.236 1.00 10.00 H new ATOM 0 HD2 PRO A 27 14.196 -12.053 -3.486 1.00 10.00 H new ATOM 0 HD3 PRO A 27 14.562 -11.751 -5.173 1.00 10.00 H new ATOM 434 N PRO A 28 18.553 -14.784 -3.084 1.00 10.00 N ATOM 435 CA PRO A 28 19.125 -15.489 -1.912 1.00 10.00 C ATOM 436 C PRO A 28 19.194 -14.550 -0.703 1.00 10.00 C ATOM 437 O PRO A 28 19.226 -14.983 0.431 1.00 10.00 O ATOM 438 CB PRO A 28 20.525 -15.883 -2.379 1.00 10.00 C ATOM 439 CG PRO A 28 20.854 -14.906 -3.458 1.00 10.00 C ATOM 440 CD PRO A 28 19.553 -14.558 -4.131 1.00 10.00 C ATOM 0 HA PRO A 28 18.531 -16.346 -1.595 1.00 10.00 H new ATOM 0 HB2 PRO A 28 21.245 -15.828 -1.562 1.00 10.00 H new ATOM 0 HB3 PRO A 28 20.544 -16.907 -2.753 1.00 10.00 H new ATOM 0 HG2 PRO A 28 21.327 -14.015 -3.044 1.00 10.00 H new ATOM 0 HG3 PRO A 28 21.556 -15.338 -4.171 1.00 10.00 H new ATOM 0 HD2 PRO A 28 19.545 -13.525 -4.477 1.00 10.00 H new ATOM 0 HD3 PRO A 28 19.371 -15.188 -5.002 1.00 10.00 H new ATOM 448 N ASP A 29 19.212 -13.267 -0.941 1.00 10.00 N ATOM 449 CA ASP A 29 19.276 -12.298 0.189 1.00 10.00 C ATOM 450 C ASP A 29 18.575 -10.994 -0.199 1.00 10.00 C ATOM 451 O ASP A 29 18.898 -10.380 -1.196 1.00 10.00 O ATOM 452 CB ASP A 29 20.767 -12.056 0.421 1.00 10.00 C ATOM 453 CG ASP A 29 21.318 -13.125 1.367 1.00 10.00 C ATOM 454 OD1 ASP A 29 20.713 -13.339 2.404 1.00 10.00 O ATOM 455 OD2 ASP A 29 22.336 -13.711 1.037 1.00 10.00 O ATOM 0 H ASP A 29 19.185 -12.848 -1.870 1.00 10.00 H new ATOM 0 HA ASP A 29 18.782 -12.673 1.085 1.00 10.00 H new ATOM 0 HB2 ASP A 29 21.303 -12.084 -0.528 1.00 10.00 H new ATOM 0 HB3 ASP A 29 20.923 -11.064 0.846 1.00 10.00 H new ATOM 460 N LEU A 30 17.617 -10.568 0.578 1.00 10.00 N ATOM 461 CA LEU A 30 16.896 -9.305 0.245 1.00 10.00 C ATOM 462 C LEU A 30 17.696 -8.094 0.732 1.00 10.00 C ATOM 463 O LEU A 30 18.168 -7.298 -0.054 1.00 10.00 O ATOM 464 CB LEU A 30 15.561 -9.406 0.988 1.00 10.00 C ATOM 465 CG LEU A 30 14.572 -8.347 0.478 1.00 10.00 C ATOM 466 CD1 LEU A 30 14.390 -7.267 1.545 1.00 10.00 C ATOM 467 CD2 LEU A 30 15.097 -7.698 -0.810 1.00 10.00 C ATOM 0 H LEU A 30 17.302 -11.038 1.427 1.00 10.00 H new ATOM 0 HA LEU A 30 16.756 -9.178 -0.828 1.00 10.00 H new ATOM 0 HB2 LEU A 30 15.138 -10.401 0.851 1.00 10.00 H new ATOM 0 HB3 LEU A 30 15.724 -9.273 2.058 1.00 10.00 H new ATOM 0 HG LEU A 30 13.618 -8.831 0.268 1.00 10.00 H new ATOM 0 HD11 LEU A 30 13.688 -6.514 1.185 1.00 10.00 H new ATOM 0 HD12 LEU A 30 14.001 -7.719 2.457 1.00 10.00 H new ATOM 0 HD13 LEU A 30 15.351 -6.797 1.754 1.00 10.00 H new ATOM 0 HD21 LEU A 30 14.384 -6.950 -1.157 1.00 10.00 H new ATOM 0 HD22 LEU A 30 16.056 -7.220 -0.612 1.00 10.00 H new ATOM 0 HD23 LEU A 30 15.224 -8.462 -1.577 1.00 10.00 H new ATOM 479 N VAL A 31 17.851 -7.949 2.022 1.00 10.00 N ATOM 480 CA VAL A 31 18.623 -6.787 2.561 1.00 10.00 C ATOM 481 C VAL A 31 19.732 -6.395 1.587 1.00 10.00 C ATOM 482 O VAL A 31 19.776 -5.291 1.083 1.00 10.00 O ATOM 483 CB VAL A 31 19.234 -7.286 3.870 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.781 -6.098 4.662 1.00 10.00 C ATOM 485 CG2 VAL A 31 18.163 -7.997 4.698 1.00 10.00 C ATOM 0 H VAL A 31 17.477 -8.584 2.727 1.00 10.00 H new ATOM 0 HA VAL A 31 17.992 -5.911 2.708 1.00 10.00 H new ATOM 0 HB VAL A 31 20.043 -7.982 3.649 1.00 10.00 H new ATOM 0 HG11 VAL A 31 20.217 -6.453 5.596 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.546 -5.590 4.074 1.00 10.00 H new ATOM 0 HG13 VAL A 31 18.971 -5.403 4.881 1.00 10.00 H new ATOM 0 HG21 VAL A 31 18.601 -8.352 5.631 1.00 10.00 H new ATOM 0 HG22 VAL A 31 17.353 -7.302 4.919 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.771 -8.844 4.135 1.00 10.00 H new ATOM 495 N ASP A 32 20.629 -7.301 1.324 1.00 10.00 N ATOM 496 CA ASP A 32 21.742 -7.004 0.385 1.00 10.00 C ATOM 497 C ASP A 32 21.192 -6.718 -1.015 1.00 10.00 C ATOM 498 O ASP A 32 21.616 -5.794 -1.681 1.00 10.00 O ATOM 499 CB ASP A 32 22.587 -8.277 0.390 1.00 10.00 C ATOM 500 CG ASP A 32 24.071 -7.907 0.355 1.00 10.00 C ATOM 501 OD1 ASP A 32 24.365 -6.729 0.236 1.00 10.00 O ATOM 502 OD2 ASP A 32 24.887 -8.809 0.448 1.00 10.00 O ATOM 0 H ASP A 32 20.639 -8.240 1.722 1.00 10.00 H new ATOM 0 HA ASP A 32 22.318 -6.125 0.675 1.00 10.00 H new ATOM 0 HB2 ASP A 32 22.370 -8.867 1.281 1.00 10.00 H new ATOM 0 HB3 ASP A 32 22.336 -8.896 -0.471 1.00 10.00 H new ATOM 507 N PHE A 33 20.247 -7.498 -1.466 1.00 10.00 N ATOM 508 CA PHE A 33 19.671 -7.261 -2.820 1.00 10.00 C ATOM 509 C PHE A 33 18.976 -5.897 -2.856 1.00 10.00 C ATOM 510 O PHE A 33 19.133 -5.132 -3.787 1.00 10.00 O ATOM 511 CB PHE A 33 18.655 -8.386 -3.027 1.00 10.00 C ATOM 512 CG PHE A 33 17.886 -8.140 -4.302 1.00 10.00 C ATOM 513 CD1 PHE A 33 18.413 -8.559 -5.531 1.00 10.00 C ATOM 514 CD2 PHE A 33 16.648 -7.488 -4.259 1.00 10.00 C ATOM 515 CE1 PHE A 33 17.701 -8.328 -6.714 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.936 -7.257 -5.442 1.00 10.00 C ATOM 517 CZ PHE A 33 16.462 -7.677 -6.669 1.00 10.00 C ATOM 0 H PHE A 33 19.850 -8.287 -0.956 1.00 10.00 H new ATOM 0 HA PHE A 33 20.432 -7.257 -3.600 1.00 10.00 H new ATOM 0 HB2 PHE A 33 19.166 -9.347 -3.078 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.971 -8.433 -2.180 1.00 10.00 H new ATOM 0 HD1 PHE A 33 19.369 -9.060 -5.566 1.00 10.00 H new ATOM 0 HD2 PHE A 33 16.242 -7.163 -3.313 1.00 10.00 H new ATOM 0 HE1 PHE A 33 18.107 -8.652 -7.661 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.981 -6.755 -5.408 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.912 -7.499 -7.581 1.00 10.00 H new ATOM 527 N ALA A 34 18.211 -5.589 -1.845 1.00 10.00 N ATOM 528 CA ALA A 34 17.508 -4.275 -1.810 1.00 10.00 C ATOM 529 C ALA A 34 18.528 -3.134 -1.804 1.00 10.00 C ATOM 530 O ALA A 34 18.263 -2.047 -2.280 1.00 10.00 O ATOM 531 CB ALA A 34 16.716 -4.290 -0.504 1.00 10.00 C ATOM 0 H ALA A 34 18.042 -6.192 -1.040 1.00 10.00 H new ATOM 0 HA ALA A 34 16.865 -4.124 -2.677 1.00 10.00 H new ATOM 0 HB1 ALA A 34 16.167 -3.354 -0.401 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.014 -5.123 -0.514 1.00 10.00 H new ATOM 0 HB3 ALA A 34 17.401 -4.403 0.336 1.00 10.00 H new ATOM 537 N VAL A 35 19.692 -3.375 -1.264 1.00 10.00 N ATOM 538 CA VAL A 35 20.730 -2.316 -1.218 1.00 10.00 C ATOM 539 C VAL A 35 21.494 -2.271 -2.545 1.00 10.00 C ATOM 540 O VAL A 35 21.685 -1.223 -3.127 1.00 10.00 O ATOM 541 CB VAL A 35 21.642 -2.744 -0.070 1.00 10.00 C ATOM 542 CG1 VAL A 35 23.052 -2.216 -0.305 1.00 10.00 C ATOM 543 CG2 VAL A 35 21.098 -2.183 1.242 1.00 10.00 C ATOM 0 H VAL A 35 19.966 -4.267 -0.851 1.00 10.00 H new ATOM 0 HA VAL A 35 20.320 -1.317 -1.067 1.00 10.00 H new ATOM 0 HB VAL A 35 21.673 -3.832 -0.019 1.00 10.00 H new ATOM 0 HG11 VAL A 35 23.698 -2.525 0.517 1.00 10.00 H new ATOM 0 HG12 VAL A 35 23.440 -2.618 -1.241 1.00 10.00 H new ATOM 0 HG13 VAL A 35 23.029 -1.128 -0.359 1.00 10.00 H new ATOM 0 HG21 VAL A 35 21.746 -2.486 2.064 1.00 10.00 H new ATOM 0 HG22 VAL A 35 21.067 -1.095 1.187 1.00 10.00 H new ATOM 0 HG23 VAL A 35 20.092 -2.567 1.413 1.00 10.00 H new ATOM 553 N GLU A 36 21.926 -3.404 -3.028 1.00 10.00 N ATOM 554 CA GLU A 36 22.670 -3.426 -4.320 1.00 10.00 C ATOM 555 C GLU A 36 21.872 -2.679 -5.392 1.00 10.00 C ATOM 556 O GLU A 36 22.428 -2.042 -6.264 1.00 10.00 O ATOM 557 CB GLU A 36 22.799 -4.906 -4.681 1.00 10.00 C ATOM 558 CG GLU A 36 23.823 -5.569 -3.757 1.00 10.00 C ATOM 559 CD GLU A 36 24.907 -6.245 -4.599 1.00 10.00 C ATOM 560 OE1 GLU A 36 25.244 -5.704 -5.639 1.00 10.00 O ATOM 561 OE2 GLU A 36 25.381 -7.291 -4.190 1.00 10.00 O ATOM 0 H GLU A 36 21.796 -4.314 -2.585 1.00 10.00 H new ATOM 0 HA GLU A 36 23.644 -2.942 -4.247 1.00 10.00 H new ATOM 0 HB2 GLU A 36 21.832 -5.400 -4.585 1.00 10.00 H new ATOM 0 HB3 GLU A 36 23.109 -5.012 -5.721 1.00 10.00 H new ATOM 0 HG2 GLU A 36 24.270 -4.824 -3.099 1.00 10.00 H new ATOM 0 HG3 GLU A 36 23.331 -6.304 -3.120 1.00 10.00 H new ATOM 568 N TYR A 37 20.570 -2.753 -5.331 1.00 10.00 N ATOM 569 CA TYR A 37 19.734 -2.048 -6.344 1.00 10.00 C ATOM 570 C TYR A 37 19.768 -0.537 -6.093 1.00 10.00 C ATOM 571 O TYR A 37 20.249 0.226 -6.907 1.00 10.00 O ATOM 572 CB TYR A 37 18.321 -2.592 -6.139 1.00 10.00 C ATOM 573 CG TYR A 37 17.334 -1.725 -6.883 1.00 10.00 C ATOM 574 CD1 TYR A 37 17.671 -1.195 -8.135 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.082 -1.448 -6.320 1.00 10.00 C ATOM 576 CE1 TYR A 37 16.756 -0.390 -8.824 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.167 -0.641 -7.009 1.00 10.00 C ATOM 578 CZ TYR A 37 15.504 -0.113 -8.262 1.00 10.00 C ATOM 579 OH TYR A 37 14.602 0.681 -8.941 1.00 10.00 O ATOM 0 H TYR A 37 20.049 -3.271 -4.623 1.00 10.00 H new ATOM 0 HA TYR A 37 20.090 -2.212 -7.361 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.260 -3.620 -6.497 1.00 10.00 H new ATOM 0 HB3 TYR A 37 18.077 -2.609 -5.077 1.00 10.00 H new ATOM 0 HD1 TYR A 37 18.637 -1.407 -8.569 1.00 10.00 H new ATOM 0 HD2 TYR A 37 15.822 -1.856 -5.355 1.00 10.00 H new ATOM 0 HE1 TYR A 37 17.016 0.018 -9.790 1.00 10.00 H new ATOM 0 HE2 TYR A 37 14.202 -0.426 -6.574 1.00 10.00 H new ATOM 0 HH TYR A 37 13.783 0.772 -8.411 1.00 10.00 H new ATOM 589 N PHE A 38 19.263 -0.100 -4.972 1.00 10.00 N ATOM 590 CA PHE A 38 19.270 1.360 -4.672 1.00 10.00 C ATOM 591 C PHE A 38 20.707 1.890 -4.677 1.00 10.00 C ATOM 592 O PHE A 38 21.015 2.867 -5.330 1.00 10.00 O ATOM 593 CB PHE A 38 18.658 1.480 -3.276 1.00 10.00 C ATOM 594 CG PHE A 38 17.225 1.008 -3.312 1.00 10.00 C ATOM 595 CD1 PHE A 38 16.400 1.355 -4.389 1.00 10.00 C ATOM 596 CD2 PHE A 38 16.721 0.221 -2.269 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.070 0.917 -4.421 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.392 -0.218 -2.302 1.00 10.00 C ATOM 599 CZ PHE A 38 14.567 0.130 -3.379 1.00 10.00 C ATOM 0 H PHE A 38 18.846 -0.690 -4.252 1.00 10.00 H new ATOM 0 HA PHE A 38 18.714 1.938 -5.410 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.230 0.885 -2.564 1.00 10.00 H new ATOM 0 HB3 PHE A 38 18.703 2.514 -2.935 1.00 10.00 H new ATOM 0 HD1 PHE A 38 16.789 1.960 -5.195 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.358 -0.047 -1.439 1.00 10.00 H new ATOM 0 HE1 PHE A 38 14.433 1.187 -5.250 1.00 10.00 H new ATOM 0 HE2 PHE A 38 15.003 -0.825 -1.497 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.542 -0.209 -3.405 1.00 10.00 H new ATOM 609 N THR A 39 21.589 1.252 -3.955 1.00 10.00 N ATOM 610 CA THR A 39 23.004 1.721 -3.925 1.00 10.00 C ATOM 611 C THR A 39 23.504 1.956 -5.351 1.00 10.00 C ATOM 612 O THR A 39 24.143 2.948 -5.640 1.00 10.00 O ATOM 613 CB THR A 39 23.782 0.586 -3.255 1.00 10.00 C ATOM 614 OG1 THR A 39 23.236 0.336 -1.967 1.00 10.00 O ATOM 615 CG2 THR A 39 25.253 0.984 -3.118 1.00 10.00 C ATOM 0 H THR A 39 21.391 0.429 -3.386 1.00 10.00 H new ATOM 0 HA THR A 39 23.123 2.662 -3.388 1.00 10.00 H new ATOM 0 HB THR A 39 23.707 -0.315 -3.864 1.00 10.00 H new ATOM 0 HG1 THR A 39 22.446 -0.237 -2.052 1.00 10.00 H new ATOM 0 HG21 THR A 39 25.806 0.175 -2.641 1.00 10.00 H new ATOM 0 HG22 THR A 39 25.671 1.176 -4.106 1.00 10.00 H new ATOM 0 HG23 THR A 39 25.331 1.885 -2.510 1.00 10.00 H new ATOM 623 N ARG A 40 23.210 1.054 -6.248 1.00 10.00 N ATOM 624 CA ARG A 40 23.659 1.231 -7.657 1.00 10.00 C ATOM 625 C ARG A 40 22.773 2.264 -8.357 1.00 10.00 C ATOM 626 O ARG A 40 23.176 2.900 -9.311 1.00 10.00 O ATOM 627 CB ARG A 40 23.496 -0.146 -8.303 1.00 10.00 C ATOM 628 CG ARG A 40 24.708 -1.017 -7.967 1.00 10.00 C ATOM 629 CD ARG A 40 25.011 -1.946 -9.145 1.00 10.00 C ATOM 630 NE ARG A 40 26.470 -2.232 -9.046 1.00 10.00 N ATOM 631 CZ ARG A 40 26.911 -3.120 -8.194 1.00 10.00 C ATOM 632 NH1 ARG A 40 26.077 -3.915 -7.579 1.00 10.00 N ATOM 633 NH2 ARG A 40 28.192 -3.212 -7.956 1.00 10.00 N ATOM 0 H ARG A 40 22.678 0.203 -6.065 1.00 10.00 H new ATOM 0 HA ARG A 40 24.686 1.589 -7.726 1.00 10.00 H new ATOM 0 HB2 ARG A 40 22.583 -0.621 -7.944 1.00 10.00 H new ATOM 0 HB3 ARG A 40 23.398 -0.043 -9.384 1.00 10.00 H new ATOM 0 HG2 ARG A 40 25.573 -0.389 -7.754 1.00 10.00 H new ATOM 0 HG3 ARG A 40 24.511 -1.603 -7.069 1.00 10.00 H new ATOM 0 HD2 ARG A 40 24.424 -2.863 -9.086 1.00 10.00 H new ATOM 0 HD3 ARG A 40 24.766 -1.471 -10.095 1.00 10.00 H new ATOM 0 HE ARG A 40 27.127 -1.733 -9.645 1.00 10.00 H new ATOM 0 HH11 ARG A 40 25.076 -3.845 -7.763 1.00 10.00 H new ATOM 0 HH12 ARG A 40 26.427 -4.606 -6.915 1.00 10.00 H new ATOM 0 HH21 ARG A 40 28.845 -2.592 -8.434 1.00 10.00 H new ATOM 0 HH22 ARG A 40 28.539 -3.904 -7.292 1.00 10.00 H new ATOM 647 N LEU A 41 21.568 2.438 -7.885 1.00 10.00 N ATOM 648 CA LEU A 41 20.654 3.434 -8.517 1.00 10.00 C ATOM 649 C LEU A 41 21.343 4.799 -8.594 1.00 10.00 C ATOM 650 O LEU A 41 21.239 5.506 -9.576 1.00 10.00 O ATOM 651 CB LEU A 41 19.439 3.492 -7.591 1.00 10.00 C ATOM 652 CG LEU A 41 18.185 3.814 -8.406 1.00 10.00 C ATOM 653 CD1 LEU A 41 18.299 5.226 -8.983 1.00 10.00 C ATOM 654 CD2 LEU A 41 18.049 2.805 -9.551 1.00 10.00 C ATOM 0 H LEU A 41 21.177 1.934 -7.089 1.00 10.00 H new ATOM 0 HA LEU A 41 20.376 3.161 -9.535 1.00 10.00 H new ATOM 0 HB2 LEU A 41 19.316 2.539 -7.077 1.00 10.00 H new ATOM 0 HB3 LEU A 41 19.590 4.251 -6.823 1.00 10.00 H new ATOM 0 HG LEU A 41 17.308 3.755 -7.762 1.00 10.00 H new ATOM 0 HD11 LEU A 41 17.405 5.455 -9.564 1.00 10.00 H new ATOM 0 HD12 LEU A 41 18.397 5.945 -8.169 1.00 10.00 H new ATOM 0 HD13 LEU A 41 19.176 5.286 -9.628 1.00 10.00 H new ATOM 0 HD21 LEU A 41 17.156 3.033 -10.133 1.00 10.00 H new ATOM 0 HD22 LEU A 41 18.927 2.865 -10.195 1.00 10.00 H new ATOM 0 HD23 LEU A 41 17.968 1.798 -9.141 1.00 10.00 H new ATOM 666 N ARG A 42 22.051 5.169 -7.562 1.00 10.00 N ATOM 667 CA ARG A 42 22.756 6.484 -7.565 1.00 10.00 C ATOM 668 C ARG A 42 23.581 6.645 -8.844 1.00 10.00 C ATOM 669 O ARG A 42 23.859 7.743 -9.281 1.00 10.00 O ATOM 670 CB ARG A 42 23.655 6.435 -6.336 1.00 10.00 C ATOM 671 CG ARG A 42 22.843 6.900 -5.131 1.00 10.00 C ATOM 672 CD ARG A 42 23.697 7.804 -4.256 1.00 10.00 C ATOM 673 NE ARG A 42 24.870 6.973 -3.870 1.00 10.00 N ATOM 674 CZ ARG A 42 25.711 7.413 -2.977 1.00 10.00 C ATOM 675 NH1 ARG A 42 25.998 8.684 -2.922 1.00 10.00 N ATOM 676 NH2 ARG A 42 26.263 6.582 -2.135 1.00 10.00 N ATOM 0 H ARG A 42 22.172 4.616 -6.714 1.00 10.00 H new ATOM 0 HA ARG A 42 22.069 7.330 -7.537 1.00 10.00 H new ATOM 0 HB2 ARG A 42 24.026 5.422 -6.177 1.00 10.00 H new ATOM 0 HB3 ARG A 42 24.526 7.075 -6.477 1.00 10.00 H new ATOM 0 HG2 ARG A 42 21.953 7.435 -5.464 1.00 10.00 H new ATOM 0 HG3 ARG A 42 22.501 6.039 -4.557 1.00 10.00 H new ATOM 0 HD2 ARG A 42 24.008 8.698 -4.797 1.00 10.00 H new ATOM 0 HD3 ARG A 42 23.145 8.139 -3.378 1.00 10.00 H new ATOM 0 HE ARG A 42 25.015 6.061 -4.303 1.00 10.00 H new ATOM 0 HH11 ARG A 42 25.564 9.334 -3.578 1.00 10.00 H new ATOM 0 HH12 ARG A 42 26.656 9.028 -2.223 1.00 10.00 H new ATOM 0 HH21 ARG A 42 26.036 5.588 -2.176 1.00 10.00 H new ATOM 0 HH22 ARG A 42 26.921 6.926 -1.436 1.00 10.00 H new ATOM 690 N GLU A 43 23.968 5.557 -9.450 1.00 10.00 N ATOM 691 CA GLU A 43 24.767 5.646 -10.704 1.00 10.00 C ATOM 692 C GLU A 43 23.853 5.451 -11.920 1.00 10.00 C ATOM 693 O GLU A 43 24.192 5.806 -13.030 1.00 10.00 O ATOM 694 CB GLU A 43 25.801 4.517 -10.591 1.00 10.00 C ATOM 695 CG GLU A 43 25.527 3.436 -11.644 1.00 10.00 C ATOM 696 CD GLU A 43 26.201 2.130 -11.221 1.00 10.00 C ATOM 697 OE1 GLU A 43 25.755 1.546 -10.246 1.00 10.00 O ATOM 698 OE2 GLU A 43 27.149 1.735 -11.878 1.00 10.00 O ATOM 0 H GLU A 43 23.765 4.610 -9.131 1.00 10.00 H new ATOM 0 HA GLU A 43 25.249 6.615 -10.833 1.00 10.00 H new ATOM 0 HB2 GLU A 43 26.805 4.919 -10.726 1.00 10.00 H new ATOM 0 HB3 GLU A 43 25.764 4.080 -9.593 1.00 10.00 H new ATOM 0 HG2 GLU A 43 24.453 3.284 -11.754 1.00 10.00 H new ATOM 0 HG3 GLU A 43 25.905 3.755 -12.615 1.00 10.00 H new ATOM 705 N ALA A 44 22.696 4.882 -11.711 1.00 10.00 N ATOM 706 CA ALA A 44 21.754 4.656 -12.846 1.00 10.00 C ATOM 707 C ALA A 44 21.294 5.981 -13.436 1.00 10.00 C ATOM 708 O ALA A 44 21.609 6.321 -14.558 1.00 10.00 O ATOM 709 CB ALA A 44 20.550 3.949 -12.233 1.00 10.00 C ATOM 0 H ALA A 44 22.362 4.563 -10.802 1.00 10.00 H new ATOM 0 HA ALA A 44 22.227 4.082 -13.642 1.00 10.00 H new ATOM 0 HB1 ALA A 44 19.811 3.749 -13.009 1.00 10.00 H new ATOM 0 HB2 ALA A 44 20.870 3.008 -11.785 1.00 10.00 H new ATOM 0 HB3 ALA A 44 20.107 4.584 -11.466 1.00 10.00 H new ATOM 715 N ARG A 45 20.520 6.711 -12.679 1.00 10.00 N ATOM 716 CA ARG A 45 19.981 8.013 -13.158 1.00 10.00 C ATOM 717 C ARG A 45 20.757 8.523 -14.378 1.00 10.00 C ATOM 718 O ARG A 45 21.970 8.592 -14.373 1.00 10.00 O ATOM 719 CB ARG A 45 20.144 8.970 -11.978 1.00 10.00 C ATOM 720 CG ARG A 45 18.868 8.959 -11.134 1.00 10.00 C ATOM 721 CD ARG A 45 17.940 10.085 -11.597 1.00 10.00 C ATOM 722 NE ARG A 45 16.642 9.819 -10.918 1.00 10.00 N ATOM 723 CZ ARG A 45 16.074 8.649 -11.031 1.00 10.00 C ATOM 724 NH1 ARG A 45 15.605 8.259 -12.184 1.00 10.00 N ATOM 725 NH2 ARG A 45 15.977 7.869 -9.990 1.00 10.00 N ATOM 0 H ARG A 45 20.235 6.454 -11.734 1.00 10.00 H new ATOM 0 HA ARG A 45 18.942 7.923 -13.476 1.00 10.00 H new ATOM 0 HB2 ARG A 45 20.998 8.672 -11.370 1.00 10.00 H new ATOM 0 HB3 ARG A 45 20.346 9.979 -12.339 1.00 10.00 H new ATOM 0 HG2 ARG A 45 18.365 7.997 -11.229 1.00 10.00 H new ATOM 0 HG3 ARG A 45 19.115 9.087 -10.080 1.00 10.00 H new ATOM 0 HD2 ARG A 45 18.337 11.062 -11.321 1.00 10.00 H new ATOM 0 HD3 ARG A 45 17.826 10.082 -12.681 1.00 10.00 H new ATOM 0 HE ARG A 45 16.197 10.551 -10.365 1.00 10.00 H new ATOM 0 HH11 ARG A 45 15.682 8.868 -12.998 1.00 10.00 H new ATOM 0 HH12 ARG A 45 15.161 7.345 -12.271 1.00 10.00 H new ATOM 0 HH21 ARG A 45 16.345 8.173 -9.089 1.00 10.00 H new ATOM 0 HH22 ARG A 45 15.533 6.955 -10.077 1.00 10.00 H new ATOM 739 N ARG A 46 20.061 8.881 -15.423 1.00 10.00 N ATOM 740 CA ARG A 46 20.752 9.386 -16.645 1.00 10.00 C ATOM 741 C ARG A 46 20.520 10.891 -16.800 1.00 10.00 C ATOM 742 O ARG A 46 21.170 11.647 -16.097 1.00 10.00 O ATOM 743 CB ARG A 46 20.117 8.621 -17.809 1.00 10.00 C ATOM 744 CG ARG A 46 18.600 8.557 -17.616 1.00 10.00 C ATOM 745 CD ARG A 46 17.940 8.038 -18.896 1.00 10.00 C ATOM 746 NE ARG A 46 16.722 7.317 -18.429 1.00 10.00 N ATOM 747 CZ ARG A 46 15.832 6.909 -19.293 1.00 10.00 C ATOM 748 NH1 ARG A 46 15.763 7.464 -20.471 1.00 10.00 N ATOM 749 NH2 ARG A 46 15.012 5.944 -18.976 1.00 10.00 N ATOM 750 OXT ARG A 46 19.696 11.262 -17.620 1.00 10.00 O ATOM 0 H ARG A 46 19.043 8.846 -15.484 1.00 10.00 H new ATOM 0 HA ARG A 46 21.830 9.234 -16.600 1.00 10.00 H new ATOM 0 HB2 ARG A 46 20.353 9.113 -18.752 1.00 10.00 H new ATOM 0 HB3 ARG A 46 20.529 7.614 -17.863 1.00 10.00 H new ATOM 0 HG2 ARG A 46 18.357 7.903 -16.779 1.00 10.00 H new ATOM 0 HG3 ARG A 46 18.213 9.546 -17.370 1.00 10.00 H new ATOM 0 HD2 ARG A 46 17.682 8.856 -19.568 1.00 10.00 H new ATOM 0 HD3 ARG A 46 18.608 7.373 -19.444 1.00 10.00 H new ATOM 0 HE ARG A 46 16.584 7.142 -17.434 1.00 10.00 H new ATOM 0 HH11 ARG A 46 16.405 8.217 -20.718 1.00 10.00 H new ATOM 0 HH12 ARG A 46 15.067 7.145 -21.145 1.00 10.00 H new ATOM 0 HH21 ARG A 46 15.067 5.510 -18.055 1.00 10.00 H new ATOM 0 HH22 ARG A 46 14.316 5.624 -19.650 1.00 10.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 16.486 -25.435 -8.577 1.00 10.00 N ATOM 766 CA HIS B 1 17.933 -25.128 -8.774 1.00 10.00 C ATOM 767 C HIS B 1 18.190 -23.631 -8.578 1.00 10.00 C ATOM 768 O HIS B 1 19.164 -23.233 -7.970 1.00 10.00 O ATOM 769 CB HIS B 1 18.236 -25.539 -10.216 1.00 10.00 C ATOM 770 CG HIS B 1 17.910 -26.995 -10.402 1.00 10.00 C ATOM 771 ND1 HIS B 1 18.271 -27.957 -9.471 1.00 10.00 N ATOM 772 CD2 HIS B 1 17.260 -27.669 -11.405 1.00 10.00 C ATOM 773 CE1 HIS B 1 17.838 -29.146 -9.929 1.00 10.00 C ATOM 774 NE2 HIS B 1 17.215 -29.028 -11.105 1.00 10.00 N ATOM 0 H1 HIS B 1 16.376 -26.434 -8.309 1.00 10.00 H new ATOM 0 H2 HIS B 1 16.102 -24.830 -7.823 1.00 10.00 H new ATOM 0 H3 HIS B 1 15.969 -25.256 -9.462 1.00 10.00 H new ATOM 0 HA HIS B 1 18.565 -25.655 -8.059 1.00 10.00 H new ATOM 0 HB2 HIS B 1 17.651 -24.933 -10.908 1.00 10.00 H new ATOM 0 HB3 HIS B 1 19.287 -25.359 -10.444 1.00 10.00 H new ATOM 0 HD2 HIS B 1 16.846 -27.214 -12.293 1.00 10.00 H new ATOM 0 HE1 HIS B 1 17.977 -30.082 -9.409 1.00 10.00 H new ATOM 0 HE2 HIS B 1 16.797 -29.773 -11.663 1.00 10.00 H new ATOM 784 N MET B 2 17.325 -22.799 -9.089 1.00 10.00 N ATOM 785 CA MET B 2 17.521 -21.329 -8.931 1.00 10.00 C ATOM 786 C MET B 2 16.649 -20.801 -7.789 1.00 10.00 C ATOM 787 O MET B 2 16.107 -19.716 -7.860 1.00 10.00 O ATOM 788 CB MET B 2 17.079 -20.726 -10.265 1.00 10.00 C ATOM 789 CG MET B 2 15.603 -21.045 -10.504 1.00 10.00 C ATOM 790 SD MET B 2 14.892 -19.810 -11.620 1.00 10.00 S ATOM 791 CE MET B 2 14.397 -18.618 -10.352 1.00 10.00 C ATOM 0 H MET B 2 16.491 -23.073 -9.609 1.00 10.00 H new ATOM 0 HA MET B 2 18.552 -21.072 -8.689 1.00 10.00 H new ATOM 0 HB2 MET B 2 17.232 -19.647 -10.257 1.00 10.00 H new ATOM 0 HB3 MET B 2 17.685 -21.128 -11.077 1.00 10.00 H new ATOM 0 HG2 MET B 2 15.500 -22.041 -10.934 1.00 10.00 H new ATOM 0 HG3 MET B 2 15.063 -21.049 -9.557 1.00 10.00 H new ATOM 0 HE1 MET B 2 13.894 -17.773 -10.823 1.00 10.00 H new ATOM 0 HE2 MET B 2 13.718 -19.098 -9.647 1.00 10.00 H new ATOM 0 HE3 MET B 2 15.280 -18.264 -9.821 1.00 10.00 H new ATOM 801 N GLY B 3 16.511 -21.559 -6.736 1.00 10.00 N ATOM 802 CA GLY B 3 15.675 -21.100 -5.592 1.00 10.00 C ATOM 803 C GLY B 3 14.229 -21.549 -5.803 1.00 10.00 C ATOM 804 O GLY B 3 13.952 -22.431 -6.591 1.00 10.00 O ATOM 0 H GLY B 3 16.941 -22.476 -6.619 1.00 10.00 H new ATOM 0 HA2 GLY B 3 16.061 -21.509 -4.659 1.00 10.00 H new ATOM 0 HA3 GLY B 3 15.721 -20.014 -5.507 1.00 10.00 H new ATOM 808 N HIS B 4 13.302 -20.950 -5.105 1.00 10.00 N ATOM 809 CA HIS B 4 11.874 -21.347 -5.269 1.00 10.00 C ATOM 810 C HIS B 4 11.003 -20.110 -5.498 1.00 10.00 C ATOM 811 O HIS B 4 11.497 -19.024 -5.731 1.00 10.00 O ATOM 812 CB HIS B 4 11.499 -22.035 -3.955 1.00 10.00 C ATOM 813 CG HIS B 4 11.642 -21.067 -2.810 1.00 10.00 C ATOM 814 ND1 HIS B 4 11.698 -21.489 -1.492 1.00 10.00 N ATOM 815 CD2 HIS B 4 11.740 -19.697 -2.768 1.00 10.00 C ATOM 816 CE1 HIS B 4 11.823 -20.395 -0.719 1.00 10.00 C ATOM 817 NE2 HIS B 4 11.854 -19.275 -1.447 1.00 10.00 N ATOM 0 H HIS B 4 13.471 -20.205 -4.430 1.00 10.00 H new ATOM 0 HA HIS B 4 11.724 -22.002 -6.127 1.00 10.00 H new ATOM 0 HB2 HIS B 4 10.474 -22.402 -4.006 1.00 10.00 H new ATOM 0 HB3 HIS B 4 12.140 -22.901 -3.792 1.00 10.00 H new ATOM 0 HD1 HIS B 4 11.653 -22.455 -1.166 1.00 10.00 H new ATOM 0 HD2 HIS B 4 11.730 -19.046 -3.630 1.00 10.00 H new ATOM 0 HE1 HIS B 4 11.890 -20.419 0.359 1.00 10.00 H new ATOM 825 N ILE B 5 9.710 -20.264 -5.431 1.00 10.00 N ATOM 826 CA ILE B 5 8.807 -19.096 -5.643 1.00 10.00 C ATOM 827 C ILE B 5 7.915 -18.893 -4.415 1.00 10.00 C ATOM 828 O ILE B 5 6.886 -19.524 -4.272 1.00 10.00 O ATOM 829 CB ILE B 5 7.965 -19.462 -6.865 1.00 10.00 C ATOM 830 CG1 ILE B 5 8.852 -19.469 -8.110 1.00 10.00 C ATOM 831 CG2 ILE B 5 6.849 -18.431 -7.046 1.00 10.00 C ATOM 832 CD1 ILE B 5 9.430 -18.071 -8.333 1.00 10.00 C ATOM 0 H ILE B 5 9.238 -21.148 -5.239 1.00 10.00 H new ATOM 0 HA ILE B 5 9.358 -18.168 -5.794 1.00 10.00 H new ATOM 0 HB ILE B 5 7.528 -20.450 -6.720 1.00 10.00 H new ATOM 0 HG12 ILE B 5 9.658 -20.193 -7.991 1.00 10.00 H new ATOM 0 HG13 ILE B 5 8.273 -19.778 -8.980 1.00 10.00 H new ATOM 0 HG21 ILE B 5 6.249 -18.693 -7.918 1.00 10.00 H new ATOM 0 HG22 ILE B 5 6.215 -18.421 -6.159 1.00 10.00 H new ATOM 0 HG23 ILE B 5 7.286 -17.443 -7.190 1.00 10.00 H new ATOM 0 HD11 ILE B 5 10.062 -18.076 -9.221 1.00 10.00 H new ATOM 0 HD12 ILE B 5 8.617 -17.359 -8.471 1.00 10.00 H new ATOM 0 HD13 ILE B 5 10.024 -17.780 -7.466 1.00 10.00 H new ATOM 844 N GLN B 6 8.301 -18.019 -3.525 1.00 10.00 N ATOM 845 CA GLN B 6 7.474 -17.780 -2.307 1.00 10.00 C ATOM 846 C GLN B 6 7.533 -16.302 -1.908 1.00 10.00 C ATOM 847 O GLN B 6 8.490 -15.610 -2.193 1.00 10.00 O ATOM 848 CB GLN B 6 8.104 -18.655 -1.222 1.00 10.00 C ATOM 849 CG GLN B 6 7.159 -19.812 -0.887 1.00 10.00 C ATOM 850 CD GLN B 6 6.134 -19.353 0.151 1.00 10.00 C ATOM 851 OE1 GLN B 6 6.492 -18.973 1.249 1.00 10.00 O ATOM 852 NE2 GLN B 6 4.864 -19.372 -0.149 1.00 10.00 N ATOM 0 H GLN B 6 9.152 -17.461 -3.588 1.00 10.00 H new ATOM 0 HA GLN B 6 6.424 -18.023 -2.467 1.00 10.00 H new ATOM 0 HB2 GLN B 6 9.064 -19.043 -1.564 1.00 10.00 H new ATOM 0 HB3 GLN B 6 8.300 -18.061 -0.329 1.00 10.00 H new ATOM 0 HG2 GLN B 6 6.651 -20.152 -1.789 1.00 10.00 H new ATOM 0 HG3 GLN B 6 7.727 -20.659 -0.502 1.00 10.00 H new ATOM 0 HE21 GLN B 6 4.562 -19.691 -1.070 1.00 10.00 H new ATOM 0 HE22 GLN B 6 4.173 -19.068 0.537 1.00 10.00 H new ATOM 861 N ILE B 7 6.517 -15.816 -1.248 1.00 10.00 N ATOM 862 CA ILE B 7 6.515 -14.385 -0.829 1.00 10.00 C ATOM 863 C ILE B 7 6.715 -14.280 0.686 1.00 10.00 C ATOM 864 O ILE B 7 5.767 -14.132 1.430 1.00 10.00 O ATOM 865 CB ILE B 7 5.135 -13.859 -1.224 1.00 10.00 C ATOM 866 CG1 ILE B 7 4.839 -14.243 -2.677 1.00 10.00 C ATOM 867 CG2 ILE B 7 5.112 -12.336 -1.086 1.00 10.00 C ATOM 868 CD1 ILE B 7 5.892 -13.623 -3.598 1.00 10.00 C ATOM 0 H ILE B 7 5.689 -16.348 -0.981 1.00 10.00 H new ATOM 0 HA ILE B 7 7.318 -13.815 -1.297 1.00 10.00 H new ATOM 0 HB ILE B 7 4.379 -14.295 -0.571 1.00 10.00 H new ATOM 0 HG12 ILE B 7 4.841 -15.328 -2.784 1.00 10.00 H new ATOM 0 HG13 ILE B 7 3.845 -13.897 -2.960 1.00 10.00 H new ATOM 0 HG21 ILE B 7 4.128 -11.960 -1.367 1.00 10.00 H new ATOM 0 HG22 ILE B 7 5.324 -12.061 -0.053 1.00 10.00 H new ATOM 0 HG23 ILE B 7 5.868 -11.900 -1.739 1.00 10.00 H new ATOM 0 HD11 ILE B 7 5.679 -13.898 -4.631 1.00 10.00 H new ATOM 0 HD12 ILE B 7 5.868 -12.538 -3.499 1.00 10.00 H new ATOM 0 HD13 ILE B 7 6.880 -13.991 -3.321 1.00 10.00 H new ATOM 880 N PRO B 8 7.953 -14.361 1.087 1.00 10.00 N ATOM 881 CA PRO B 8 8.298 -14.277 2.528 1.00 10.00 C ATOM 882 C PRO B 8 8.084 -12.855 3.051 1.00 10.00 C ATOM 883 O PRO B 8 8.524 -11.897 2.449 1.00 10.00 O ATOM 884 CB PRO B 8 9.771 -14.658 2.571 1.00 10.00 C ATOM 885 CG PRO B 8 10.281 -14.334 1.211 1.00 10.00 C ATOM 886 CD PRO B 8 9.141 -14.538 0.250 1.00 10.00 C ATOM 0 HA PRO B 8 7.680 -14.923 3.152 1.00 10.00 H new ATOM 0 HB2 PRO B 8 10.304 -14.097 3.339 1.00 10.00 H new ATOM 0 HB3 PRO B 8 9.901 -15.715 2.802 1.00 10.00 H new ATOM 0 HG2 PRO B 8 10.640 -13.306 1.169 1.00 10.00 H new ATOM 0 HG3 PRO B 8 11.123 -14.977 0.952 1.00 10.00 H new ATOM 0 HD2 PRO B 8 9.169 -13.815 -0.565 1.00 10.00 H new ATOM 0 HD3 PRO B 8 9.170 -15.529 -0.202 1.00 10.00 H new ATOM 894 N PRO B 9 7.409 -12.769 4.165 1.00 10.00 N ATOM 895 CA PRO B 9 7.126 -11.452 4.786 1.00 10.00 C ATOM 896 C PRO B 9 8.396 -10.871 5.412 1.00 10.00 C ATOM 897 O PRO B 9 9.388 -11.554 5.579 1.00 10.00 O ATOM 898 CB PRO B 9 6.090 -11.778 5.859 1.00 10.00 C ATOM 899 CG PRO B 9 6.313 -13.220 6.187 1.00 10.00 C ATOM 900 CD PRO B 9 6.849 -13.879 4.943 1.00 10.00 C ATOM 0 HA PRO B 9 6.773 -10.708 4.072 1.00 10.00 H new ATOM 0 HB2 PRO B 9 6.222 -11.148 6.739 1.00 10.00 H new ATOM 0 HB3 PRO B 9 5.077 -11.608 5.494 1.00 10.00 H new ATOM 0 HG2 PRO B 9 7.018 -13.323 7.012 1.00 10.00 H new ATOM 0 HG3 PRO B 9 5.382 -13.692 6.502 1.00 10.00 H new ATOM 0 HD2 PRO B 9 7.609 -14.623 5.182 1.00 10.00 H new ATOM 0 HD3 PRO B 9 6.061 -14.394 4.393 1.00 10.00 H new ATOM 908 N GLY B 10 8.373 -9.613 5.760 1.00 10.00 N ATOM 909 CA GLY B 10 9.579 -8.987 6.374 1.00 10.00 C ATOM 910 C GLY B 10 9.962 -7.734 5.585 1.00 10.00 C ATOM 911 O GLY B 10 10.610 -6.841 6.094 1.00 10.00 O ATOM 0 H GLY B 10 7.572 -8.992 5.646 1.00 10.00 H new ATOM 0 HA2 GLY B 10 9.378 -8.728 7.413 1.00 10.00 H new ATOM 0 HA3 GLY B 10 10.408 -9.695 6.377 1.00 10.00 H new ATOM 915 N LEU B 11 9.569 -7.663 4.342 1.00 10.00 N ATOM 916 CA LEU B 11 9.912 -6.469 3.517 1.00 10.00 C ATOM 917 C LEU B 11 8.928 -5.329 3.798 1.00 10.00 C ATOM 918 O LEU B 11 9.311 -4.260 4.230 1.00 10.00 O ATOM 919 CB LEU B 11 9.787 -6.947 2.069 1.00 10.00 C ATOM 920 CG LEU B 11 9.634 -5.743 1.136 1.00 10.00 C ATOM 921 CD1 LEU B 11 10.747 -5.765 0.087 1.00 10.00 C ATOM 922 CD2 LEU B 11 8.275 -5.813 0.437 1.00 10.00 C ATOM 0 H LEU B 11 9.025 -8.380 3.862 1.00 10.00 H new ATOM 0 HA LEU B 11 10.908 -6.084 3.736 1.00 10.00 H new ATOM 0 HB2 LEU B 11 10.668 -7.525 1.790 1.00 10.00 H new ATOM 0 HB3 LEU B 11 8.927 -7.609 1.968 1.00 10.00 H new ATOM 0 HG LEU B 11 9.700 -4.822 1.716 1.00 10.00 H new ATOM 0 HD11 LEU B 11 10.638 -4.908 -0.577 1.00 10.00 H new ATOM 0 HD12 LEU B 11 11.716 -5.718 0.584 1.00 10.00 H new ATOM 0 HD13 LEU B 11 10.681 -6.685 -0.494 1.00 10.00 H new ATOM 0 HD21 LEU B 11 8.163 -4.957 -0.228 1.00 10.00 H new ATOM 0 HD22 LEU B 11 8.211 -6.734 -0.143 1.00 10.00 H new ATOM 0 HD23 LEU B 11 7.481 -5.799 1.183 1.00 10.00 H new ATOM 934 N THR B 12 7.665 -5.548 3.554 1.00 10.00 N ATOM 935 CA THR B 12 6.656 -4.478 3.803 1.00 10.00 C ATOM 936 C THR B 12 6.979 -3.727 5.095 1.00 10.00 C ATOM 937 O THR B 12 7.546 -2.653 5.076 1.00 10.00 O ATOM 938 CB THR B 12 5.322 -5.215 3.930 1.00 10.00 C ATOM 939 OG1 THR B 12 5.005 -5.836 2.691 1.00 10.00 O ATOM 940 CG2 THR B 12 4.221 -4.220 4.300 1.00 10.00 C ATOM 0 H THR B 12 7.287 -6.423 3.192 1.00 10.00 H new ATOM 0 HA THR B 12 6.640 -3.736 3.005 1.00 10.00 H new ATOM 0 HB THR B 12 5.399 -5.975 4.708 1.00 10.00 H new ATOM 0 HG1 THR B 12 4.151 -6.310 2.772 1.00 10.00 H new ATOM 0 HG21 THR B 12 3.271 -4.746 4.390 1.00 10.00 H new ATOM 0 HG22 THR B 12 4.464 -3.745 5.250 1.00 10.00 H new ATOM 0 HG23 THR B 12 4.142 -3.459 3.523 1.00 10.00 H new ATOM 948 N GLU B 13 6.618 -4.285 6.216 1.00 10.00 N ATOM 949 CA GLU B 13 6.898 -3.608 7.517 1.00 10.00 C ATOM 950 C GLU B 13 8.280 -2.947 7.489 1.00 10.00 C ATOM 951 O GLU B 13 8.434 -1.795 7.842 1.00 10.00 O ATOM 952 CB GLU B 13 6.860 -4.726 8.559 1.00 10.00 C ATOM 953 CG GLU B 13 5.419 -4.938 9.029 1.00 10.00 C ATOM 954 CD GLU B 13 4.787 -6.085 8.240 1.00 10.00 C ATOM 955 OE1 GLU B 13 5.105 -7.226 8.532 1.00 10.00 O ATOM 956 OE2 GLU B 13 3.995 -5.803 7.356 1.00 10.00 O ATOM 0 H GLU B 13 6.140 -5.183 6.290 1.00 10.00 H new ATOM 0 HA GLU B 13 6.177 -2.820 7.735 1.00 10.00 H new ATOM 0 HB2 GLU B 13 7.254 -5.648 8.132 1.00 10.00 H new ATOM 0 HB3 GLU B 13 7.496 -4.470 9.406 1.00 10.00 H new ATOM 0 HG2 GLU B 13 5.403 -5.164 10.095 1.00 10.00 H new ATOM 0 HG3 GLU B 13 4.841 -4.024 8.888 1.00 10.00 H new ATOM 963 N LEU B 14 9.285 -3.668 7.072 1.00 10.00 N ATOM 964 CA LEU B 14 10.656 -3.079 7.024 1.00 10.00 C ATOM 965 C LEU B 14 10.674 -1.850 6.112 1.00 10.00 C ATOM 966 O LEU B 14 11.295 -0.850 6.414 1.00 10.00 O ATOM 967 CB LEU B 14 11.541 -4.184 6.449 1.00 10.00 C ATOM 968 CG LEU B 14 12.999 -3.724 6.451 1.00 10.00 C ATOM 969 CD1 LEU B 14 13.742 -4.382 7.616 1.00 10.00 C ATOM 970 CD2 LEU B 14 13.664 -4.129 5.133 1.00 10.00 C ATOM 0 H LEU B 14 9.218 -4.638 6.763 1.00 10.00 H new ATOM 0 HA LEU B 14 10.998 -2.750 8.005 1.00 10.00 H new ATOM 0 HB2 LEU B 14 11.435 -5.094 7.040 1.00 10.00 H new ATOM 0 HB3 LEU B 14 11.226 -4.425 5.434 1.00 10.00 H new ATOM 0 HG LEU B 14 13.036 -2.640 6.561 1.00 10.00 H new ATOM 0 HD11 LEU B 14 14.781 -4.054 7.617 1.00 10.00 H new ATOM 0 HD12 LEU B 14 13.270 -4.096 8.556 1.00 10.00 H new ATOM 0 HD13 LEU B 14 13.704 -5.466 7.506 1.00 10.00 H new ATOM 0 HD21 LEU B 14 14.704 -3.801 5.134 1.00 10.00 H new ATOM 0 HD22 LEU B 14 13.625 -5.213 5.024 1.00 10.00 H new ATOM 0 HD23 LEU B 14 13.137 -3.662 4.301 1.00 10.00 H new ATOM 982 N LEU B 15 9.998 -1.916 4.999 1.00 10.00 N ATOM 983 CA LEU B 15 9.979 -0.750 4.068 1.00 10.00 C ATOM 984 C LEU B 15 9.275 0.440 4.722 1.00 10.00 C ATOM 985 O LEU B 15 9.883 1.453 5.004 1.00 10.00 O ATOM 986 CB LEU B 15 9.196 -1.230 2.847 1.00 10.00 C ATOM 987 CG LEU B 15 10.068 -2.174 2.019 1.00 10.00 C ATOM 988 CD1 LEU B 15 9.368 -2.485 0.695 1.00 10.00 C ATOM 989 CD2 LEU B 15 11.416 -1.505 1.737 1.00 10.00 C ATOM 0 H LEU B 15 9.458 -2.725 4.693 1.00 10.00 H new ATOM 0 HA LEU B 15 10.983 -0.418 3.804 1.00 10.00 H new ATOM 0 HB2 LEU B 15 8.287 -1.741 3.163 1.00 10.00 H new ATOM 0 HB3 LEU B 15 8.888 -0.378 2.241 1.00 10.00 H new ATOM 0 HG LEU B 15 10.229 -3.100 2.572 1.00 10.00 H new ATOM 0 HD11 LEU B 15 9.989 -3.158 0.104 1.00 10.00 H new ATOM 0 HD12 LEU B 15 8.407 -2.959 0.894 1.00 10.00 H new ATOM 0 HD13 LEU B 15 9.208 -1.560 0.142 1.00 10.00 H new ATOM 0 HD21 LEU B 15 12.039 -2.177 1.147 1.00 10.00 H new ATOM 0 HD22 LEU B 15 11.254 -0.580 1.184 1.00 10.00 H new ATOM 0 HD23 LEU B 15 11.915 -1.281 2.680 1.00 10.00 H new ATOM 1001 N GLN B 16 7.997 0.326 4.963 1.00 10.00 N ATOM 1002 CA GLN B 16 7.253 1.452 5.597 1.00 10.00 C ATOM 1003 C GLN B 16 8.110 2.109 6.682 1.00 10.00 C ATOM 1004 O GLN B 16 8.210 3.317 6.760 1.00 10.00 O ATOM 1005 CB GLN B 16 6.010 0.811 6.214 1.00 10.00 C ATOM 1006 CG GLN B 16 4.775 1.213 5.405 1.00 10.00 C ATOM 1007 CD GLN B 16 3.625 1.538 6.359 1.00 10.00 C ATOM 1008 OE1 GLN B 16 3.217 0.706 7.145 1.00 10.00 O ATOM 1009 NE2 GLN B 16 3.079 2.724 6.324 1.00 10.00 N ATOM 0 H GLN B 16 7.436 -0.498 4.748 1.00 10.00 H new ATOM 0 HA GLN B 16 6.996 2.231 4.879 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.114 -0.274 6.224 1.00 10.00 H new ATOM 0 HB3 GLN B 16 5.899 1.130 7.250 1.00 10.00 H new ATOM 0 HG2 GLN B 16 5.001 2.079 4.782 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.487 0.404 4.734 1.00 10.00 H new ATOM 0 HE21 GLN B 16 3.420 3.423 5.665 1.00 10.00 H new ATOM 0 HE22 GLN B 16 2.311 2.951 6.956 1.00 10.00 H new ATOM 1018 N GLY B 17 8.729 1.322 7.518 1.00 10.00 N ATOM 1019 CA GLY B 17 9.579 1.903 8.594 1.00 10.00 C ATOM 1020 C GLY B 17 10.593 2.866 7.978 1.00 10.00 C ATOM 1021 O GLY B 17 10.765 3.981 8.434 1.00 10.00 O ATOM 0 H GLY B 17 8.683 0.303 7.502 1.00 10.00 H new ATOM 0 HA2 GLY B 17 8.958 2.428 9.320 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.096 1.109 9.132 1.00 10.00 H new ATOM 1025 N TYR B 18 11.263 2.453 6.937 1.00 10.00 N ATOM 1026 CA TYR B 18 12.257 3.347 6.294 1.00 10.00 C ATOM 1027 C TYR B 18 11.532 4.476 5.555 1.00 10.00 C ATOM 1028 O TYR B 18 11.747 5.642 5.817 1.00 10.00 O ATOM 1029 CB TYR B 18 13.003 2.436 5.327 1.00 10.00 C ATOM 1030 CG TYR B 18 13.183 3.141 4.017 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.949 4.305 3.957 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.580 2.631 2.869 1.00 10.00 C ATOM 1033 CE1 TYR B 18 14.120 4.966 2.735 1.00 10.00 C ATOM 1034 CE2 TYR B 18 12.745 3.288 1.644 1.00 10.00 C ATOM 1035 CZ TYR B 18 13.517 4.457 1.576 1.00 10.00 C ATOM 1036 OH TYR B 18 13.684 5.105 0.370 1.00 10.00 O ATOM 0 H TYR B 18 11.162 1.534 6.506 1.00 10.00 H new ATOM 0 HA TYR B 18 12.933 3.827 7.001 1.00 10.00 H new ATOM 0 HB2 TYR B 18 13.973 2.163 5.742 1.00 10.00 H new ATOM 0 HB3 TYR B 18 12.447 1.510 5.181 1.00 10.00 H new ATOM 0 HD1 TYR B 18 14.410 4.696 4.852 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.986 1.730 2.924 1.00 10.00 H new ATOM 0 HE1 TYR B 18 14.715 5.866 2.685 1.00 10.00 H new ATOM 0 HE2 TYR B 18 12.279 2.895 0.753 1.00 10.00 H new ATOM 0 HH TYR B 18 13.648 4.452 -0.360 1.00 10.00 H new ATOM 1046 N THR B 19 10.665 4.136 4.640 1.00 10.00 N ATOM 1047 CA THR B 19 9.920 5.192 3.897 1.00 10.00 C ATOM 1048 C THR B 19 9.283 6.162 4.892 1.00 10.00 C ATOM 1049 O THR B 19 9.045 7.314 4.589 1.00 10.00 O ATOM 1050 CB THR B 19 8.843 4.440 3.111 1.00 10.00 C ATOM 1051 OG1 THR B 19 9.414 3.887 1.933 1.00 10.00 O ATOM 1052 CG2 THR B 19 7.717 5.404 2.729 1.00 10.00 C ATOM 0 H THR B 19 10.441 3.177 4.376 1.00 10.00 H new ATOM 0 HA THR B 19 10.562 5.777 3.239 1.00 10.00 H new ATOM 0 HB THR B 19 8.438 3.639 3.729 1.00 10.00 H new ATOM 0 HG1 THR B 19 10.346 3.640 2.106 1.00 10.00 H new ATOM 0 HG21 THR B 19 6.952 4.866 2.170 1.00 10.00 H new ATOM 0 HG22 THR B 19 7.277 5.826 3.633 1.00 10.00 H new ATOM 0 HG23 THR B 19 8.120 6.208 2.112 1.00 10.00 H new ATOM 1060 N VAL B 20 9.013 5.702 6.083 1.00 10.00 N ATOM 1061 CA VAL B 20 8.398 6.594 7.105 1.00 10.00 C ATOM 1062 C VAL B 20 9.441 7.578 7.637 1.00 10.00 C ATOM 1063 O VAL B 20 9.125 8.691 8.002 1.00 10.00 O ATOM 1064 CB VAL B 20 7.922 5.657 8.217 1.00 10.00 C ATOM 1065 CG1 VAL B 20 7.722 6.453 9.508 1.00 10.00 C ATOM 1066 CG2 VAL B 20 6.596 5.012 7.808 1.00 10.00 C ATOM 0 H VAL B 20 9.192 4.747 6.392 1.00 10.00 H new ATOM 0 HA VAL B 20 7.579 7.188 6.699 1.00 10.00 H new ATOM 0 HB VAL B 20 8.670 4.881 8.381 1.00 10.00 H new ATOM 0 HG11 VAL B 20 7.383 5.784 10.299 1.00 10.00 H new ATOM 0 HG12 VAL B 20 8.665 6.913 9.802 1.00 10.00 H new ATOM 0 HG13 VAL B 20 6.975 7.230 9.345 1.00 10.00 H new ATOM 0 HG21 VAL B 20 6.257 4.344 8.600 1.00 10.00 H new ATOM 0 HG22 VAL B 20 5.849 5.789 7.643 1.00 10.00 H new ATOM 0 HG23 VAL B 20 6.736 4.443 6.889 1.00 10.00 H new ATOM 1076 N GLU B 21 10.686 7.180 7.677 1.00 10.00 N ATOM 1077 CA GLU B 21 11.746 8.108 8.184 1.00 10.00 C ATOM 1078 C GLU B 21 12.045 9.174 7.132 1.00 10.00 C ATOM 1079 O GLU B 21 12.375 10.300 7.445 1.00 10.00 O ATOM 1080 CB GLU B 21 13.002 7.258 8.419 1.00 10.00 C ATOM 1081 CG GLU B 21 12.621 5.797 8.631 1.00 10.00 C ATOM 1082 CD GLU B 21 13.638 5.131 9.559 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.823 5.338 9.353 1.00 10.00 O ATOM 1084 OE2 GLU B 21 13.216 4.426 10.460 1.00 10.00 O ATOM 0 H GLU B 21 11.015 6.260 7.383 1.00 10.00 H new ATOM 0 HA GLU B 21 11.425 8.606 9.099 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.673 7.345 7.565 1.00 10.00 H new ATOM 0 HB3 GLU B 21 13.543 7.630 9.289 1.00 10.00 H new ATOM 0 HG2 GLU B 21 11.622 5.730 9.062 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.591 5.276 7.674 1.00 10.00 H new ATOM 1091 N VAL B 22 11.937 8.817 5.884 1.00 10.00 N ATOM 1092 CA VAL B 22 12.222 9.798 4.800 1.00 10.00 C ATOM 1093 C VAL B 22 11.113 10.851 4.744 1.00 10.00 C ATOM 1094 O VAL B 22 11.370 12.028 4.594 1.00 10.00 O ATOM 1095 CB VAL B 22 12.256 8.979 3.507 1.00 10.00 C ATOM 1096 CG1 VAL B 22 13.167 9.673 2.499 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.806 7.577 3.790 1.00 10.00 C ATOM 0 H VAL B 22 11.663 7.887 5.567 1.00 10.00 H new ATOM 0 HA VAL B 22 13.160 10.329 4.961 1.00 10.00 H new ATOM 0 HB VAL B 22 11.245 8.898 3.108 1.00 10.00 H new ATOM 0 HG11 VAL B 22 13.195 9.094 1.576 1.00 10.00 H new ATOM 0 HG12 VAL B 22 12.784 10.672 2.290 1.00 10.00 H new ATOM 0 HG13 VAL B 22 14.173 9.749 2.910 1.00 10.00 H new ATOM 0 HG21 VAL B 22 12.827 7.001 2.865 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.817 7.657 4.191 1.00 10.00 H new ATOM 0 HG23 VAL B 22 12.166 7.075 4.516 1.00 10.00 H new ATOM 1107 N LEU B 23B 9.883 10.437 4.873 1.00 10.00 N ATOM 1108 CA LEU B 23B 8.762 11.418 4.836 1.00 10.00 C ATOM 1109 C LEU B 23B 8.619 12.097 6.201 1.00 10.00 C ATOM 1110 O LEU B 23B 7.875 13.044 6.362 1.00 10.00 O ATOM 1111 CB LEU B 23B 7.519 10.588 4.511 1.00 10.00 C ATOM 1112 CG LEU B 23B 7.436 10.364 3.000 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 8.714 9.678 2.513 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 6.230 9.478 2.681 1.00 10.00 C ATOM 0 H LEU B 23B 9.606 9.464 5.002 1.00 10.00 H new ATOM 0 HA LEU B 23B 8.922 12.208 4.102 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 7.562 9.630 5.030 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 6.624 11.101 4.863 1.00 10.00 H new ATOM 0 HG LEU B 23B 7.325 11.325 2.497 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 8.654 9.519 1.436 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 9.574 10.308 2.739 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 8.826 8.718 3.016 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 6.171 9.318 1.604 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 6.341 8.518 3.185 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 5.319 9.966 3.026 1.00 10.00 H new ATOM 1126 N ARG B 24 9.334 11.619 7.185 1.00 10.00 N ATOM 1127 CA ARG B 24 9.251 12.230 8.542 1.00 10.00 C ATOM 1128 C ARG B 24 10.443 13.165 8.768 1.00 10.00 C ATOM 1129 O ARG B 24 10.331 14.185 9.420 1.00 10.00 O ATOM 1130 CB ARG B 24 9.293 11.039 9.507 1.00 10.00 C ATOM 1131 CG ARG B 24 10.062 11.406 10.782 1.00 10.00 C ATOM 1132 CD ARG B 24 9.224 12.360 11.635 1.00 10.00 C ATOM 1133 NE ARG B 24 9.604 12.045 13.040 1.00 10.00 N ATOM 1134 CZ ARG B 24 9.278 12.862 14.004 1.00 10.00 C ATOM 1135 NH1 ARG B 24 9.921 13.989 14.150 1.00 10.00 N ATOM 1136 NH2 ARG B 24 8.310 12.552 14.824 1.00 10.00 N ATOM 0 H ARG B 24 9.974 10.829 7.106 1.00 10.00 H new ATOM 0 HA ARG B 24 8.352 12.831 8.681 1.00 10.00 H new ATOM 0 HB2 ARG B 24 8.278 10.735 9.763 1.00 10.00 H new ATOM 0 HB3 ARG B 24 9.768 10.187 9.021 1.00 10.00 H new ATOM 0 HG2 ARG B 24 10.295 10.505 11.350 1.00 10.00 H new ATOM 0 HG3 ARG B 24 11.012 11.874 10.523 1.00 10.00 H new ATOM 0 HD2 ARG B 24 9.438 13.401 11.391 1.00 10.00 H new ATOM 0 HD3 ARG B 24 8.158 12.206 11.469 1.00 10.00 H new ATOM 0 HE ARG B 24 10.119 11.190 13.249 1.00 10.00 H new ATOM 0 HH11 ARG B 24 10.678 14.231 13.511 1.00 10.00 H new ATOM 0 HH12 ARG B 24 9.666 14.628 14.903 1.00 10.00 H new ATOM 0 HH21 ARG B 24 7.808 11.671 14.711 1.00 10.00 H new ATOM 0 HH22 ARG B 24 8.056 13.191 15.577 1.00 10.00 H new ATOM 1150 N GLN B 25 11.586 12.824 8.236 1.00 10.00 N ATOM 1151 CA GLN B 25 12.781 13.686 8.423 1.00 10.00 C ATOM 1152 C GLN B 25 13.225 14.285 7.084 1.00 10.00 C ATOM 1153 O GLN B 25 13.988 15.229 7.038 1.00 10.00 O ATOM 1154 CB GLN B 25 13.854 12.753 8.999 1.00 10.00 C ATOM 1155 CG GLN B 25 14.830 12.324 7.898 1.00 10.00 C ATOM 1156 CD GLN B 25 15.968 11.510 8.518 1.00 10.00 C ATOM 1157 OE1 GLN B 25 16.140 11.504 9.720 1.00 10.00 O ATOM 1158 NE2 GLN B 25 16.757 10.819 7.742 1.00 10.00 N ATOM 0 H GLN B 25 11.741 11.983 7.679 1.00 10.00 H new ATOM 0 HA GLN B 25 12.586 14.531 9.084 1.00 10.00 H new ATOM 0 HB2 GLN B 25 14.396 13.259 9.798 1.00 10.00 H new ATOM 0 HB3 GLN B 25 13.383 11.874 9.440 1.00 10.00 H new ATOM 0 HG2 GLN B 25 14.310 11.730 7.147 1.00 10.00 H new ATOM 0 HG3 GLN B 25 15.230 13.201 7.389 1.00 10.00 H new ATOM 0 HE21 GLN B 25 16.612 10.824 6.732 1.00 10.00 H new ATOM 0 HE22 GLN B 25 17.519 10.273 8.145 1.00 10.00 H new ATOM 1167 N GLN B 26 12.753 13.742 5.993 1.00 10.00 N ATOM 1168 CA GLN B 26 13.153 14.282 4.663 1.00 10.00 C ATOM 1169 C GLN B 26 14.654 14.586 4.648 1.00 10.00 C ATOM 1170 O GLN B 26 15.060 15.722 4.785 1.00 10.00 O ATOM 1171 CB GLN B 26 12.344 15.570 4.499 1.00 10.00 C ATOM 1172 CG GLN B 26 11.475 15.469 3.244 1.00 10.00 C ATOM 1173 CD GLN B 26 12.371 15.418 2.005 1.00 10.00 C ATOM 1174 OE1 GLN B 26 12.851 14.366 1.630 1.00 10.00 O ATOM 1175 NE2 GLN B 26 12.619 16.518 1.349 1.00 10.00 N ATOM 0 H GLN B 26 12.110 12.951 5.966 1.00 10.00 H new ATOM 0 HA GLN B 26 12.963 13.576 3.855 1.00 10.00 H new ATOM 0 HB2 GLN B 26 11.718 15.733 5.376 1.00 10.00 H new ATOM 0 HB3 GLN B 26 13.014 16.426 4.422 1.00 10.00 H new ATOM 0 HG2 GLN B 26 10.851 14.576 3.292 1.00 10.00 H new ATOM 0 HG3 GLN B 26 10.803 16.325 3.185 1.00 10.00 H new ATOM 0 HE21 GLN B 26 12.216 17.401 1.663 1.00 10.00 H new ATOM 0 HE22 GLN B 26 13.215 16.495 0.522 1.00 10.00 H new ATOM 1184 N PRO B 27 15.428 13.548 4.484 1.00 10.00 N ATOM 1185 CA PRO B 27 16.904 13.693 4.454 1.00 10.00 C ATOM 1186 C PRO B 27 17.348 14.420 3.182 1.00 10.00 C ATOM 1187 O PRO B 27 16.558 14.646 2.287 1.00 10.00 O ATOM 1188 CB PRO B 27 17.406 12.251 4.462 1.00 10.00 C ATOM 1189 CG PRO B 27 16.275 11.454 3.898 1.00 10.00 C ATOM 1190 CD PRO B 27 15.011 12.155 4.314 1.00 10.00 C ATOM 0 HA PRO B 27 17.293 14.279 5.287 1.00 10.00 H new ATOM 0 HB2 PRO B 27 18.307 12.142 3.859 1.00 10.00 H new ATOM 0 HB3 PRO B 27 17.656 11.924 5.471 1.00 10.00 H new ATOM 0 HG2 PRO B 27 16.346 11.394 2.812 1.00 10.00 H new ATOM 0 HG3 PRO B 27 16.294 10.432 4.276 1.00 10.00 H new ATOM 0 HD2 PRO B 27 14.232 12.059 3.557 1.00 10.00 H new ATOM 0 HD3 PRO B 27 14.609 11.741 5.239 1.00 10.00 H new ATOM 1198 N PRO B 28 18.608 14.761 3.148 1.00 10.00 N ATOM 1199 CA PRO B 28 19.178 15.471 1.977 1.00 10.00 C ATOM 1200 C PRO B 28 19.232 14.543 0.762 1.00 10.00 C ATOM 1201 O PRO B 28 19.253 14.984 -0.370 1.00 10.00 O ATOM 1202 CB PRO B 28 20.583 15.853 2.438 1.00 10.00 C ATOM 1203 CG PRO B 28 20.912 14.865 3.509 1.00 10.00 C ATOM 1204 CD PRO B 28 19.613 14.521 4.185 1.00 10.00 C ATOM 0 HA PRO B 28 18.588 16.334 1.670 1.00 10.00 H new ATOM 0 HB2 PRO B 28 21.298 15.799 1.617 1.00 10.00 H new ATOM 0 HB3 PRO B 28 20.611 16.874 2.819 1.00 10.00 H new ATOM 0 HG2 PRO B 28 21.377 13.975 3.086 1.00 10.00 H new ATOM 0 HG3 PRO B 28 21.621 15.287 4.222 1.00 10.00 H new ATOM 0 HD2 PRO B 28 19.600 13.485 4.523 1.00 10.00 H new ATOM 0 HD3 PRO B 28 19.440 15.145 5.062 1.00 10.00 H new ATOM 1212 N ASP B 29 19.252 13.258 0.990 1.00 10.00 N ATOM 1213 CA ASP B 29 19.303 12.297 -0.149 1.00 10.00 C ATOM 1214 C ASP B 29 18.592 10.996 0.234 1.00 10.00 C ATOM 1215 O ASP B 29 18.914 10.373 1.225 1.00 10.00 O ATOM 1216 CB ASP B 29 20.792 12.048 -0.391 1.00 10.00 C ATOM 1217 CG ASP B 29 21.341 13.116 -1.339 1.00 10.00 C ATOM 1218 OD1 ASP B 29 20.734 13.327 -2.376 1.00 10.00 O ATOM 1219 OD2 ASP B 29 22.358 13.704 -1.012 1.00 10.00 O ATOM 0 H ASP B 29 19.235 12.832 1.916 1.00 10.00 H new ATOM 0 HA ASP B 29 18.808 12.681 -1.041 1.00 10.00 H new ATOM 0 HB2 ASP B 29 21.334 12.073 0.554 1.00 10.00 H new ATOM 0 HB3 ASP B 29 20.941 11.056 -0.818 1.00 10.00 H new ATOM 1224 N LEU B 30 17.628 10.582 -0.541 1.00 10.00 N ATOM 1225 CA LEU B 30 16.899 9.324 -0.213 1.00 10.00 C ATOM 1226 C LEU B 30 17.689 8.111 -0.708 1.00 10.00 C ATOM 1227 O LEU B 30 18.165 7.313 0.073 1.00 10.00 O ATOM 1228 CB LEU B 30 15.561 9.436 -0.950 1.00 10.00 C ATOM 1229 CG LEU B 30 14.563 8.388 -0.432 1.00 10.00 C ATOM 1230 CD1 LEU B 30 14.350 7.317 -1.502 1.00 10.00 C ATOM 1231 CD2 LEU B 30 15.093 7.727 0.845 1.00 10.00 C ATOM 0 H LEU B 30 17.314 11.059 -1.386 1.00 10.00 H new ATOM 0 HA LEU B 30 16.761 9.194 0.860 1.00 10.00 H new ATOM 0 HB2 LEU B 30 15.149 10.436 -0.814 1.00 10.00 H new ATOM 0 HB3 LEU B 30 15.717 9.298 -2.020 1.00 10.00 H new ATOM 0 HG LEU B 30 13.619 8.884 -0.207 1.00 10.00 H new ATOM 0 HD11 LEU B 30 13.642 6.573 -1.136 1.00 10.00 H new ATOM 0 HD12 LEU B 30 13.955 7.780 -2.406 1.00 10.00 H new ATOM 0 HD13 LEU B 30 15.301 6.834 -1.727 1.00 10.00 H new ATOM 0 HD21 LEU B 30 14.374 6.988 1.198 1.00 10.00 H new ATOM 0 HD22 LEU B 30 16.043 7.236 0.633 1.00 10.00 H new ATOM 0 HD23 LEU B 30 15.240 8.486 1.614 1.00 10.00 H new ATOM 1243 N VAL B 31 17.834 7.968 -1.999 1.00 10.00 N ATOM 1244 CA VAL B 31 18.598 6.804 -2.546 1.00 10.00 C ATOM 1245 C VAL B 31 19.712 6.405 -1.580 1.00 10.00 C ATOM 1246 O VAL B 31 19.754 5.301 -1.076 1.00 10.00 O ATOM 1247 CB VAL B 31 19.203 7.298 -3.858 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.721 6.101 -4.658 1.00 10.00 C ATOM 1249 CG2 VAL B 31 18.134 8.029 -4.675 1.00 10.00 C ATOM 0 H VAL B 31 17.457 8.606 -2.700 1.00 10.00 H new ATOM 0 HA VAL B 31 17.960 5.932 -2.690 1.00 10.00 H new ATOM 0 HB VAL B 31 20.025 7.981 -3.644 1.00 10.00 H new ATOM 0 HG11 VAL B 31 20.154 6.450 -5.596 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.483 5.579 -4.079 1.00 10.00 H new ATOM 0 HG13 VAL B 31 18.896 5.421 -4.870 1.00 10.00 H new ATOM 0 HG21 VAL B 31 18.568 8.381 -5.611 1.00 10.00 H new ATOM 0 HG22 VAL B 31 17.311 7.347 -4.890 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.760 8.880 -4.106 1.00 10.00 H new ATOM 1259 N ASP B 32 20.616 7.306 -1.323 1.00 10.00 N ATOM 1260 CA ASP B 32 21.736 7.004 -0.393 1.00 10.00 C ATOM 1261 C ASP B 32 21.194 6.709 1.009 1.00 10.00 C ATOM 1262 O ASP B 32 21.625 5.786 1.671 1.00 10.00 O ATOM 1263 CB ASP B 32 22.582 8.276 -0.395 1.00 10.00 C ATOM 1264 CG ASP B 32 24.066 7.905 -0.370 1.00 10.00 C ATOM 1265 OD1 ASP B 32 24.361 6.727 -0.264 1.00 10.00 O ATOM 1266 OD2 ASP B 32 24.883 8.808 -0.456 1.00 10.00 O ATOM 0 H ASP B 32 20.627 8.245 -1.720 1.00 10.00 H new ATOM 0 HA ASP B 32 22.311 6.128 -0.693 1.00 10.00 H new ATOM 0 HB2 ASP B 32 22.360 8.871 -1.281 1.00 10.00 H new ATOM 0 HB3 ASP B 32 22.336 8.890 0.471 1.00 10.00 H new ATOM 1271 N PHE B 33 20.246 7.483 1.465 1.00 10.00 N ATOM 1272 CA PHE B 33 19.675 7.238 2.821 1.00 10.00 C ATOM 1273 C PHE B 33 18.975 5.877 2.852 1.00 10.00 C ATOM 1274 O PHE B 33 19.121 5.111 3.785 1.00 10.00 O ATOM 1275 CB PHE B 33 18.665 8.366 3.042 1.00 10.00 C ATOM 1276 CG PHE B 33 17.903 8.117 4.321 1.00 10.00 C ATOM 1277 CD1 PHE B 33 18.438 8.530 5.548 1.00 10.00 C ATOM 1278 CD2 PHE B 33 16.662 7.468 4.282 1.00 10.00 C ATOM 1279 CE1 PHE B 33 17.732 8.295 6.734 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.955 7.236 5.469 1.00 10.00 C ATOM 1281 CZ PHE B 33 16.491 7.649 6.695 1.00 10.00 C ATOM 0 H PHE B 33 19.843 8.272 0.959 1.00 10.00 H new ATOM 0 HA PHE B 33 20.441 7.225 3.597 1.00 10.00 H new ATOM 0 HB2 PHE B 33 19.181 9.325 3.094 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.975 8.421 2.200 1.00 10.00 H new ATOM 0 HD1 PHE B 33 19.395 9.030 5.579 1.00 10.00 H new ATOM 0 HD2 PHE B 33 16.250 7.147 3.337 1.00 10.00 H new ATOM 0 HE1 PHE B 33 18.145 8.613 7.680 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.997 6.739 5.439 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.947 7.469 7.610 1.00 10.00 H new ATOM 1291 N ALA B 34 18.219 5.570 1.834 1.00 10.00 N ATOM 1292 CA ALA B 34 17.511 4.260 1.795 1.00 10.00 C ATOM 1293 C ALA B 34 18.528 3.116 1.779 1.00 10.00 C ATOM 1294 O ALA B 34 18.265 2.028 2.253 1.00 10.00 O ATOM 1295 CB ALA B 34 16.711 4.285 0.491 1.00 10.00 C ATOM 0 H ALA B 34 18.061 6.172 1.026 1.00 10.00 H new ATOM 0 HA ALA B 34 16.871 4.106 2.663 1.00 10.00 H new ATOM 0 HB1 ALA B 34 16.158 3.352 0.385 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.012 5.121 0.509 1.00 10.00 H new ATOM 0 HB3 ALA B 34 17.393 4.400 -0.352 1.00 10.00 H new ATOM 1301 N VAL B 35 19.691 3.356 1.235 1.00 10.00 N ATOM 1302 CA VAL B 35 20.729 2.295 1.182 1.00 10.00 C ATOM 1303 C VAL B 35 21.494 2.241 2.509 1.00 10.00 C ATOM 1304 O VAL B 35 21.693 1.187 3.079 1.00 10.00 O ATOM 1305 CB VAL B 35 21.641 2.730 0.035 1.00 10.00 C ATOM 1306 CG1 VAL B 35 23.052 2.199 0.266 1.00 10.00 C ATOM 1307 CG2 VAL B 35 21.097 2.178 -1.281 1.00 10.00 C ATOM 0 H VAL B 35 19.965 4.248 0.823 1.00 10.00 H new ATOM 0 HA VAL B 35 20.318 1.298 1.026 1.00 10.00 H new ATOM 0 HB VAL B 35 21.671 3.819 -0.009 1.00 10.00 H new ATOM 0 HG11 VAL B 35 23.697 2.512 -0.555 1.00 10.00 H new ATOM 0 HG12 VAL B 35 23.440 2.594 1.204 1.00 10.00 H new ATOM 0 HG13 VAL B 35 23.028 1.110 0.313 1.00 10.00 H new ATOM 0 HG21 VAL B 35 21.746 2.487 -2.101 1.00 10.00 H new ATOM 0 HG22 VAL B 35 21.065 1.089 -1.234 1.00 10.00 H new ATOM 0 HG23 VAL B 35 20.091 2.563 -1.449 1.00 10.00 H new ATOM 1317 N GLU B 36 21.918 3.371 3.006 1.00 10.00 N ATOM 1318 CA GLU B 36 22.663 3.383 4.297 1.00 10.00 C ATOM 1319 C GLU B 36 21.865 2.633 5.366 1.00 10.00 C ATOM 1320 O GLU B 36 22.422 1.983 6.230 1.00 10.00 O ATOM 1321 CB GLU B 36 22.797 4.862 4.664 1.00 10.00 C ATOM 1322 CG GLU B 36 23.811 5.529 3.734 1.00 10.00 C ATOM 1323 CD GLU B 36 24.918 6.179 4.568 1.00 10.00 C ATOM 1324 OE1 GLU B 36 25.230 5.647 5.621 1.00 10.00 O ATOM 1325 OE2 GLU B 36 25.436 7.197 4.139 1.00 10.00 O ATOM 0 H GLU B 36 21.781 4.285 2.575 1.00 10.00 H new ATOM 0 HA GLU B 36 23.635 2.895 4.222 1.00 10.00 H new ATOM 0 HB2 GLU B 36 21.830 5.357 4.580 1.00 10.00 H new ATOM 0 HB3 GLU B 36 23.118 4.963 5.701 1.00 10.00 H new ATOM 0 HG2 GLU B 36 24.238 4.791 3.055 1.00 10.00 H new ATOM 0 HG3 GLU B 36 23.316 6.280 3.118 1.00 10.00 H new ATOM 1332 N TYR B 37 20.564 2.716 5.313 1.00 10.00 N ATOM 1333 CA TYR B 37 19.729 2.007 6.323 1.00 10.00 C ATOM 1334 C TYR B 37 19.755 0.499 6.063 1.00 10.00 C ATOM 1335 O TYR B 37 20.232 -0.272 6.871 1.00 10.00 O ATOM 1336 CB TYR B 37 18.317 2.559 6.127 1.00 10.00 C ATOM 1337 CG TYR B 37 17.330 1.692 6.873 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.671 1.161 8.123 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.076 1.421 6.315 1.00 10.00 C ATOM 1340 CE1 TYR B 37 16.756 0.357 8.815 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.161 0.618 7.006 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.501 0.085 8.256 1.00 10.00 C ATOM 1343 OH TYR B 37 14.599 -0.707 8.938 1.00 10.00 O ATOM 0 H TYR B 37 20.043 3.245 4.613 1.00 10.00 H new ATOM 0 HA TYR B 37 20.090 2.162 7.340 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.263 3.585 6.490 1.00 10.00 H new ATOM 0 HB3 TYR B 37 18.068 2.582 5.066 1.00 10.00 H new ATOM 0 HD1 TYR B 37 18.639 1.371 8.553 1.00 10.00 H new ATOM 0 HD2 TYR B 37 15.814 1.831 5.351 1.00 10.00 H new ATOM 0 HE1 TYR B 37 17.018 -0.053 9.779 1.00 10.00 H new ATOM 0 HE2 TYR B 37 14.193 0.409 6.575 1.00 10.00 H new ATOM 0 HH TYR B 37 13.777 -0.795 8.411 1.00 10.00 H new ATOM 1353 N PHE B 38 19.250 0.072 4.937 1.00 10.00 N ATOM 1354 CA PHE B 38 19.250 -1.386 4.628 1.00 10.00 C ATOM 1355 C PHE B 38 20.683 -1.923 4.623 1.00 10.00 C ATOM 1356 O PHE B 38 20.988 -2.909 5.265 1.00 10.00 O ATOM 1357 CB PHE B 38 18.629 -1.497 3.235 1.00 10.00 C ATOM 1358 CG PHE B 38 17.197 -1.019 3.281 1.00 10.00 C ATOM 1359 CD1 PHE B 38 16.379 -1.366 4.364 1.00 10.00 C ATOM 1360 CD2 PHE B 38 16.688 -0.228 2.245 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.051 -0.922 4.408 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.361 0.215 2.289 1.00 10.00 C ATOM 1363 CZ PHE B 38 14.542 -0.132 3.371 1.00 10.00 C ATOM 0 H PHE B 38 18.838 0.669 4.219 1.00 10.00 H new ATOM 0 HA PHE B 38 18.696 -1.966 5.366 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.200 -0.901 2.523 1.00 10.00 H new ATOM 0 HB3 PHE B 38 18.668 -2.530 2.890 1.00 10.00 H new ATOM 0 HD1 PHE B 38 16.772 -1.975 5.164 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.319 0.041 1.411 1.00 10.00 H new ATOM 0 HE1 PHE B 38 14.420 -1.189 5.243 1.00 10.00 H new ATOM 0 HE2 PHE B 38 14.968 0.825 1.488 1.00 10.00 H new ATOM 0 HZ PHE B 38 13.518 0.210 3.405 1.00 10.00 H new ATOM 1373 N THR B 39 21.567 -1.280 3.910 1.00 10.00 N ATOM 1374 CA THR B 39 22.980 -1.756 3.873 1.00 10.00 C ATOM 1375 C THR B 39 23.479 -2.008 5.296 1.00 10.00 C ATOM 1376 O THR B 39 24.091 -3.019 5.581 1.00 10.00 O ATOM 1377 CB THR B 39 23.766 -0.621 3.213 1.00 10.00 C ATOM 1378 OG1 THR B 39 23.228 -0.357 1.925 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.235 -1.024 3.080 1.00 10.00 C ATOM 0 H THR B 39 21.373 -0.448 3.353 1.00 10.00 H new ATOM 0 HA THR B 39 23.092 -2.692 3.325 1.00 10.00 H new ATOM 0 HB THR B 39 23.691 0.276 3.828 1.00 10.00 H new ATOM 0 HG1 THR B 39 22.380 0.125 2.017 1.00 10.00 H new ATOM 0 HG21 THR B 39 25.793 -0.214 2.610 1.00 10.00 H new ATOM 0 HG22 THR B 39 25.649 -1.223 4.069 1.00 10.00 H new ATOM 0 HG23 THR B 39 25.312 -1.922 2.467 1.00 10.00 H new ATOM 1387 N ARG B 40 23.215 -1.099 6.194 1.00 10.00 N ATOM 1388 CA ARG B 40 23.664 -1.289 7.602 1.00 10.00 C ATOM 1389 C ARG B 40 22.769 -2.318 8.295 1.00 10.00 C ATOM 1390 O ARG B 40 23.162 -2.954 9.253 1.00 10.00 O ATOM 1391 CB ARG B 40 23.509 0.085 8.255 1.00 10.00 C ATOM 1392 CG ARG B 40 24.718 0.955 7.910 1.00 10.00 C ATOM 1393 CD ARG B 40 25.045 1.867 9.095 1.00 10.00 C ATOM 1394 NE ARG B 40 26.505 2.144 8.977 1.00 10.00 N ATOM 1395 CZ ARG B 40 26.940 3.034 8.125 1.00 10.00 C ATOM 1396 NH1 ARG B 40 26.098 3.819 7.507 1.00 10.00 N ATOM 1397 NH2 ARG B 40 28.218 3.137 7.890 1.00 10.00 N ATOM 0 H ARG B 40 22.708 -0.233 6.013 1.00 10.00 H new ATOM 0 HA ARG B 40 24.688 -1.655 7.669 1.00 10.00 H new ATOM 0 HB2 ARG B 40 22.593 0.563 7.907 1.00 10.00 H new ATOM 0 HB3 ARG B 40 23.422 -0.023 9.336 1.00 10.00 H new ATOM 0 HG2 ARG B 40 25.576 0.326 7.674 1.00 10.00 H new ATOM 0 HG3 ARG B 40 24.508 1.554 7.024 1.00 10.00 H new ATOM 0 HD2 ARG B 40 24.464 2.788 9.056 1.00 10.00 H new ATOM 0 HD3 ARG B 40 24.811 1.382 10.043 1.00 10.00 H new ATOM 0 HE ARG B 40 27.167 1.637 9.564 1.00 10.00 H new ATOM 0 HH11 ARG B 40 25.098 3.738 7.689 1.00 10.00 H new ATOM 0 HH12 ARG B 40 26.441 4.513 6.843 1.00 10.00 H new ATOM 0 HH21 ARG B 40 28.876 2.524 8.371 1.00 10.00 H new ATOM 0 HH22 ARG B 40 28.560 3.831 7.225 1.00 10.00 H new ATOM 1411 N LEU B 41 21.568 -2.489 7.814 1.00 10.00 N ATOM 1412 CA LEU B 41 20.648 -3.477 8.442 1.00 10.00 C ATOM 1413 C LEU B 41 21.324 -4.848 8.513 1.00 10.00 C ATOM 1414 O LEU B 41 21.227 -5.548 9.502 1.00 10.00 O ATOM 1415 CB LEU B 41 19.426 -3.525 7.523 1.00 10.00 C ATOM 1416 CG LEU B 41 18.178 -3.847 8.346 1.00 10.00 C ATOM 1417 CD1 LEU B 41 18.292 -5.261 8.919 1.00 10.00 C ATOM 1418 CD2 LEU B 41 18.051 -2.842 9.494 1.00 10.00 C ATOM 0 H LEU B 41 21.185 -1.987 7.013 1.00 10.00 H new ATOM 0 HA LEU B 41 20.376 -3.202 9.461 1.00 10.00 H new ATOM 0 HB2 LEU B 41 19.302 -2.568 7.015 1.00 10.00 H new ATOM 0 HB3 LEU B 41 19.569 -4.280 6.750 1.00 10.00 H new ATOM 0 HG LEU B 41 17.297 -3.785 7.707 1.00 10.00 H new ATOM 0 HD11 LEU B 41 17.402 -5.489 9.505 1.00 10.00 H new ATOM 0 HD12 LEU B 41 18.383 -5.978 8.103 1.00 10.00 H new ATOM 0 HD13 LEU B 41 19.173 -5.325 9.558 1.00 10.00 H new ATOM 0 HD21 LEU B 41 17.162 -3.071 10.081 1.00 10.00 H new ATOM 0 HD22 LEU B 41 18.933 -2.905 10.132 1.00 10.00 H new ATOM 0 HD23 LEU B 41 17.968 -1.834 9.088 1.00 10.00 H new ATOM 1430 N ARG B 42 22.011 -5.239 7.472 1.00 10.00 N ATOM 1431 CA ARG B 42 22.691 -6.561 7.489 1.00 10.00 C ATOM 1432 C ARG B 42 23.472 -6.739 8.793 1.00 10.00 C ATOM 1433 O ARG B 42 23.639 -7.836 9.287 1.00 10.00 O ATOM 1434 CB ARG B 42 23.644 -6.542 6.303 1.00 10.00 C ATOM 1435 CG ARG B 42 23.391 -7.792 5.470 1.00 10.00 C ATOM 1436 CD ARG B 42 23.343 -7.423 3.997 1.00 10.00 C ATOM 1437 NE ARG B 42 24.660 -6.785 3.715 1.00 10.00 N ATOM 1438 CZ ARG B 42 25.486 -7.336 2.866 1.00 10.00 C ATOM 1439 NH1 ARG B 42 25.701 -8.623 2.902 1.00 10.00 N ATOM 1440 NH2 ARG B 42 26.098 -6.597 1.981 1.00 10.00 N ATOM 0 H ARG B 42 22.129 -4.700 6.614 1.00 10.00 H new ATOM 0 HA ARG B 42 21.979 -7.384 7.425 1.00 10.00 H new ATOM 0 HB2 ARG B 42 23.486 -5.646 5.702 1.00 10.00 H new ATOM 0 HB3 ARG B 42 24.678 -6.517 6.647 1.00 10.00 H new ATOM 0 HG2 ARG B 42 24.179 -8.524 5.646 1.00 10.00 H new ATOM 0 HG3 ARG B 42 22.452 -8.257 5.769 1.00 10.00 H new ATOM 0 HD2 ARG B 42 23.190 -8.304 3.374 1.00 10.00 H new ATOM 0 HD3 ARG B 42 22.520 -6.739 3.788 1.00 10.00 H new ATOM 0 HE ARG B 42 24.917 -5.917 4.185 1.00 10.00 H new ATOM 0 HH11 ARG B 42 25.224 -9.201 3.594 1.00 10.00 H new ATOM 0 HH12 ARG B 42 26.346 -9.051 2.238 1.00 10.00 H new ATOM 0 HH21 ARG B 42 25.931 -5.591 1.953 1.00 10.00 H new ATOM 0 HH22 ARG B 42 26.743 -7.025 1.317 1.00 10.00 H new ATOM 1454 N GLU B 43 23.960 -5.662 9.348 1.00 10.00 N ATOM 1455 CA GLU B 43 24.739 -5.760 10.615 1.00 10.00 C ATOM 1456 C GLU B 43 23.814 -5.569 11.824 1.00 10.00 C ATOM 1457 O GLU B 43 24.133 -5.959 12.929 1.00 10.00 O ATOM 1458 CB GLU B 43 25.776 -4.630 10.519 1.00 10.00 C ATOM 1459 CG GLU B 43 25.508 -3.561 11.584 1.00 10.00 C ATOM 1460 CD GLU B 43 26.178 -2.249 11.170 1.00 10.00 C ATOM 1461 OE1 GLU B 43 25.713 -1.645 10.217 1.00 10.00 O ATOM 1462 OE2 GLU B 43 27.143 -1.871 11.813 1.00 10.00 O ATOM 0 H GLU B 43 23.852 -4.718 8.978 1.00 10.00 H new ATOM 0 HA GLU B 43 25.213 -6.733 10.746 1.00 10.00 H new ATOM 0 HB2 GLU B 43 26.779 -5.037 10.649 1.00 10.00 H new ATOM 0 HB3 GLU B 43 25.741 -4.180 9.527 1.00 10.00 H new ATOM 0 HG2 GLU B 43 24.435 -3.412 11.703 1.00 10.00 H new ATOM 0 HG3 GLU B 43 25.893 -3.890 12.549 1.00 10.00 H new ATOM 1469 N ALA B 44 22.673 -4.969 11.619 1.00 10.00 N ATOM 1470 CA ALA B 44 21.729 -4.748 12.753 1.00 10.00 C ATOM 1471 C ALA B 44 21.271 -6.076 13.340 1.00 10.00 C ATOM 1472 O ALA B 44 21.598 -6.425 14.456 1.00 10.00 O ATOM 1473 CB ALA B 44 20.524 -4.042 12.139 1.00 10.00 C ATOM 0 H ALA B 44 22.353 -4.622 10.715 1.00 10.00 H new ATOM 0 HA ALA B 44 22.200 -4.175 13.552 1.00 10.00 H new ATOM 0 HB1 ALA B 44 19.784 -3.845 12.914 1.00 10.00 H new ATOM 0 HB2 ALA B 44 20.842 -3.099 11.694 1.00 10.00 H new ATOM 0 HB3 ALA B 44 20.084 -4.676 11.370 1.00 10.00 H new ATOM 1479 N ARG B 45 20.486 -6.798 12.587 1.00 10.00 N ATOM 1480 CA ARG B 45 19.947 -8.102 13.062 1.00 10.00 C ATOM 1481 C ARG B 45 20.728 -8.620 14.275 1.00 10.00 C ATOM 1482 O ARG B 45 21.941 -8.699 14.259 1.00 10.00 O ATOM 1483 CB ARG B 45 20.103 -9.052 11.876 1.00 10.00 C ATOM 1484 CG ARG B 45 18.824 -9.031 11.038 1.00 10.00 C ATOM 1485 CD ARG B 45 17.890 -10.151 11.503 1.00 10.00 C ATOM 1486 NE ARG B 45 16.590 -9.870 10.835 1.00 10.00 N ATOM 1487 CZ ARG B 45 16.034 -8.695 10.956 1.00 10.00 C ATOM 1488 NH1 ARG B 45 15.570 -8.310 12.114 1.00 10.00 N ATOM 1489 NH2 ARG B 45 15.940 -7.908 9.920 1.00 10.00 N ATOM 0 H ARG B 45 20.191 -6.533 11.647 1.00 10.00 H new ATOM 0 HA ARG B 45 18.910 -8.013 13.386 1.00 10.00 H new ATOM 0 HB2 ARG B 45 20.956 -8.753 11.266 1.00 10.00 H new ATOM 0 HB3 ARG B 45 20.303 -10.063 12.230 1.00 10.00 H new ATOM 0 HG2 ARG B 45 18.328 -8.065 11.136 1.00 10.00 H new ATOM 0 HG3 ARG B 45 19.066 -9.159 9.983 1.00 10.00 H new ATOM 0 HD2 ARG B 45 18.276 -11.130 11.219 1.00 10.00 H new ATOM 0 HD3 ARG B 45 17.784 -10.152 12.588 1.00 10.00 H new ATOM 0 HE ARG B 45 16.133 -10.596 10.282 1.00 10.00 H new ATOM 0 HH11 ARG B 45 15.642 -8.927 12.923 1.00 10.00 H new ATOM 0 HH12 ARG B 45 15.135 -7.392 12.210 1.00 10.00 H new ATOM 0 HH21 ARG B 45 16.301 -8.211 9.015 1.00 10.00 H new ATOM 0 HH22 ARG B 45 15.506 -6.990 10.015 1.00 10.00 H new ATOM 1503 N ARG B 46 20.039 -8.974 15.324 1.00 10.00 N ATOM 1504 CA ARG B 46 20.736 -9.487 16.540 1.00 10.00 C ATOM 1505 C ARG B 46 20.495 -10.991 16.692 1.00 10.00 C ATOM 1506 O ARG B 46 21.133 -11.749 15.981 1.00 10.00 O ATOM 1507 CB ARG B 46 20.116 -8.722 17.711 1.00 10.00 C ATOM 1508 CG ARG B 46 18.599 -8.643 17.530 1.00 10.00 C ATOM 1509 CD ARG B 46 17.951 -8.141 18.822 1.00 10.00 C ATOM 1510 NE ARG B 46 16.738 -7.402 18.377 1.00 10.00 N ATOM 1511 CZ ARG B 46 15.855 -7.006 19.253 1.00 10.00 C ATOM 1512 NH1 ARG B 46 15.800 -7.572 20.427 1.00 10.00 N ATOM 1513 NH2 ARG B 46 15.028 -6.044 18.952 1.00 10.00 N ATOM 1514 OXT ARG B 46 19.675 -11.359 17.518 1.00 10.00 O ATOM 0 H ARG B 46 19.022 -8.931 15.393 1.00 10.00 H new ATOM 0 HA ARG B 46 21.815 -9.342 16.488 1.00 10.00 H new ATOM 0 HB2 ARG B 46 20.354 -9.221 18.651 1.00 10.00 H new ATOM 0 HB3 ARG B 46 20.538 -7.719 17.767 1.00 10.00 H new ATOM 0 HG2 ARG B 46 18.356 -7.973 16.706 1.00 10.00 H new ATOM 0 HG3 ARG B 46 18.202 -9.625 17.270 1.00 10.00 H new ATOM 0 HD2 ARG B 46 17.690 -8.969 19.481 1.00 10.00 H new ATOM 0 HD3 ARG B 46 18.628 -7.492 19.378 1.00 10.00 H new ATOM 0 HE ARG B 46 16.597 -7.205 17.386 1.00 10.00 H new ATOM 0 HH11 ARG B 46 16.447 -8.325 20.661 1.00 10.00 H new ATOM 0 HH12 ARG B 46 15.110 -7.262 21.111 1.00 10.00 H new ATOM 0 HH21 ARG B 46 15.072 -5.602 18.034 1.00 10.00 H new ATOM 0 HH22 ARG B 46 14.337 -5.733 19.635 1.00 10.00 H new TER 1528 ARG B 46