USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=14 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 Single : A 1 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.16) USER MOD Single : A 1 HIS N :NH3+ -138:sc=-0.00181 (180deg=-0.727) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0.319 K(o=0.32,f=-3.2!) USER MOD Single : A 6 GLN :FLIP amide:sc= -0.184 F(o=-0.81,f=-0.18) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 18 TYR OH : rot -165:sc= -7.83! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.66! C(o=-2.7!,f=-5.7!) USER MOD Single : A 26 GLN : amide:sc= -0.0467 K(o=-0.047,f=-0.94) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0357 USER MOD Single : A 39 THR OG1 : rot -113:sc= -5.23! USER MOD Single : B 1 HIS : no HD1:sc= -0.558 X(o=-0.56,f=-0.16) USER MOD Single : B 1 HIS N :NH3+ -141:sc= -0.0104 (180deg=-0.799) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 HIS : no HD1:sc= 0.257 K(o=0.26,f=-3.1!) USER MOD Single : B 6 GLN :FLIP amide:sc= -0.202 F(o=-0.85,f=-0.2) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : B 18 TYR OH : rot -165:sc= -7.74! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= -2.7! C(o=-2.7!,f=-5.9!) USER MOD Single : B 26 GLN : amide:sc= -1.04 K(o=-1,f=-3.6!) USER MOD Single : B 37 TYR OH : rot 180:sc= -0.0197 USER MOD Single : B 39 THR OG1 : rot -113:sc= -5.25! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 18.535 25.297 -8.886 1.00 10.00 N ATOM 2 CA HIS A 1 17.589 24.144 -8.879 1.00 10.00 C ATOM 3 C HIS A 1 16.242 24.567 -8.287 1.00 10.00 C ATOM 4 O HIS A 1 16.122 25.609 -7.675 1.00 10.00 O ATOM 5 CB HIS A 1 18.256 23.089 -7.996 1.00 10.00 C ATOM 6 CG HIS A 1 19.550 22.653 -8.624 1.00 10.00 C ATOM 7 ND1 HIS A 1 20.584 22.101 -7.884 1.00 10.00 N ATOM 8 CD2 HIS A 1 19.995 22.684 -9.923 1.00 10.00 C ATOM 9 CE1 HIS A 1 21.589 21.823 -8.734 1.00 10.00 C ATOM 10 NE2 HIS A 1 21.283 22.159 -9.990 1.00 10.00 N ATOM 0 H1 HIS A 1 19.058 25.312 -9.785 1.00 10.00 H new ATOM 0 H2 HIS A 1 18.002 26.184 -8.781 1.00 10.00 H new ATOM 0 H3 HIS A 1 19.206 25.201 -8.097 1.00 10.00 H new ATOM 0 HA HIS A 1 17.390 23.768 -9.883 1.00 10.00 H new ATOM 0 HB2 HIS A 1 18.441 23.496 -7.002 1.00 10.00 H new ATOM 0 HB3 HIS A 1 17.593 22.232 -7.871 1.00 10.00 H new ATOM 0 HD2 HIS A 1 19.432 23.059 -10.765 1.00 10.00 H new ATOM 0 HE1 HIS A 1 22.529 21.382 -8.437 1.00 10.00 H new ATOM 0 HE2 HIS A 1 21.867 22.054 -10.820 1.00 10.00 H new ATOM 20 N MET A 2 15.226 23.766 -8.466 1.00 10.00 N ATOM 21 CA MET A 2 13.889 24.124 -7.912 1.00 10.00 C ATOM 22 C MET A 2 13.554 23.227 -6.715 1.00 10.00 C ATOM 23 O MET A 2 12.556 22.536 -6.705 1.00 10.00 O ATOM 24 CB MET A 2 12.908 23.877 -9.060 1.00 10.00 C ATOM 25 CG MET A 2 12.711 25.173 -9.852 1.00 10.00 C ATOM 26 SD MET A 2 11.624 26.288 -8.928 1.00 10.00 S ATOM 27 CE MET A 2 10.123 25.999 -9.896 1.00 10.00 C ATOM 0 H MET A 2 15.264 22.881 -8.971 1.00 10.00 H new ATOM 0 HA MET A 2 13.850 25.154 -7.556 1.00 10.00 H new ATOM 0 HB2 MET A 2 13.288 23.093 -9.715 1.00 10.00 H new ATOM 0 HB3 MET A 2 11.952 23.529 -8.667 1.00 10.00 H new ATOM 0 HG2 MET A 2 13.674 25.652 -10.031 1.00 10.00 H new ATOM 0 HG3 MET A 2 12.279 24.953 -10.828 1.00 10.00 H new ATOM 0 HE1 MET A 2 9.308 26.600 -9.492 1.00 10.00 H new ATOM 0 HE2 MET A 2 10.300 26.279 -10.934 1.00 10.00 H new ATOM 0 HE3 MET A 2 9.855 24.944 -9.846 1.00 10.00 H new ATOM 37 N GLY A 3 14.385 23.233 -5.708 1.00 10.00 N ATOM 38 CA GLY A 3 14.115 22.381 -4.514 1.00 10.00 C ATOM 39 C GLY A 3 13.263 23.161 -3.509 1.00 10.00 C ATOM 40 O GLY A 3 13.633 24.231 -3.068 1.00 10.00 O ATOM 0 H GLY A 3 15.238 23.790 -5.660 1.00 10.00 H new ATOM 0 HA2 GLY A 3 13.598 21.470 -4.814 1.00 10.00 H new ATOM 0 HA3 GLY A 3 15.054 22.077 -4.052 1.00 10.00 H new ATOM 44 N HIS A 4 12.128 22.633 -3.140 1.00 10.00 N ATOM 45 CA HIS A 4 11.258 23.347 -2.160 1.00 10.00 C ATOM 46 C HIS A 4 11.175 22.554 -0.854 1.00 10.00 C ATOM 47 O HIS A 4 12.126 21.921 -0.441 1.00 10.00 O ATOM 48 CB HIS A 4 9.884 23.423 -2.829 1.00 10.00 C ATOM 49 CG HIS A 4 10.040 23.924 -4.238 1.00 10.00 C ATOM 50 ND1 HIS A 4 9.241 23.472 -5.277 1.00 10.00 N ATOM 51 CD2 HIS A 4 10.897 24.839 -4.796 1.00 10.00 C ATOM 52 CE1 HIS A 4 9.631 24.109 -6.396 1.00 10.00 C ATOM 53 NE2 HIS A 4 10.637 24.955 -6.159 1.00 10.00 N ATOM 0 H HIS A 4 11.765 21.740 -3.473 1.00 10.00 H new ATOM 0 HA HIS A 4 11.643 24.335 -1.909 1.00 10.00 H new ATOM 0 HB2 HIS A 4 9.414 22.440 -2.831 1.00 10.00 H new ATOM 0 HB3 HIS A 4 9.230 24.088 -2.266 1.00 10.00 H new ATOM 0 HD2 HIS A 4 11.658 25.386 -4.259 1.00 10.00 H new ATOM 0 HE1 HIS A 4 9.185 23.955 -7.367 1.00 10.00 H new ATOM 0 HE2 HIS A 4 11.112 25.557 -6.832 1.00 10.00 H new ATOM 61 N ILE A 5 10.046 22.578 -0.202 1.00 10.00 N ATOM 62 CA ILE A 5 9.910 21.819 1.073 1.00 10.00 C ATOM 63 C ILE A 5 8.569 21.075 1.101 1.00 10.00 C ATOM 64 O ILE A 5 7.515 21.664 1.242 1.00 10.00 O ATOM 65 CB ILE A 5 10.000 22.880 2.180 1.00 10.00 C ATOM 66 CG1 ILE A 5 10.898 22.358 3.305 1.00 10.00 C ATOM 67 CG2 ILE A 5 8.610 23.193 2.744 1.00 10.00 C ATOM 68 CD1 ILE A 5 10.377 21.006 3.795 1.00 10.00 C ATOM 0 H ILE A 5 9.213 23.089 -0.496 1.00 10.00 H new ATOM 0 HA ILE A 5 10.681 21.058 1.197 1.00 10.00 H new ATOM 0 HB ILE A 5 10.419 23.794 1.758 1.00 10.00 H new ATOM 0 HG12 ILE A 5 11.923 22.256 2.948 1.00 10.00 H new ATOM 0 HG13 ILE A 5 10.917 23.071 4.129 1.00 10.00 H new ATOM 0 HG21 ILE A 5 8.696 23.947 3.527 1.00 10.00 H new ATOM 0 HG22 ILE A 5 7.970 23.570 1.946 1.00 10.00 H new ATOM 0 HG23 ILE A 5 8.174 22.285 3.161 1.00 10.00 H new ATOM 0 HD11 ILE A 5 11.018 20.637 4.596 1.00 10.00 H new ATOM 0 HD12 ILE A 5 9.360 21.122 4.169 1.00 10.00 H new ATOM 0 HD13 ILE A 5 10.381 20.294 2.970 1.00 10.00 H new ATOM 80 N GLN A 6 8.605 19.779 0.959 1.00 10.00 N ATOM 81 CA GLN A 6 7.342 18.988 0.970 1.00 10.00 C ATOM 82 C GLN A 6 7.656 17.503 0.782 1.00 10.00 C ATOM 83 O GLN A 6 8.590 17.142 0.091 1.00 10.00 O ATOM 84 CB GLN A 6 6.529 19.520 -0.210 1.00 10.00 C ATOM 85 CG GLN A 6 5.153 18.853 -0.223 1.00 10.00 C ATOM 86 CD GLN A 6 4.062 19.919 -0.097 1.00 10.00 C ATOM 87 OE1 GLN A 6 4.225 21.077 -0.676 1.00 10.00 O flip ATOM 88 NE2 GLN A 6 3.048 19.693 0.534 1.00 10.00 N flip ATOM 0 H GLN A 6 9.457 19.232 0.835 1.00 10.00 H new ATOM 0 HA GLN A 6 6.799 19.084 1.910 1.00 10.00 H new ATOM 0 HB2 GLN A 6 6.420 20.602 -0.132 1.00 10.00 H new ATOM 0 HB3 GLN A 6 7.051 19.319 -1.145 1.00 10.00 H new ATOM 0 HG2 GLN A 6 5.020 18.290 -1.147 1.00 10.00 H new ATOM 0 HG3 GLN A 6 5.076 18.141 0.598 1.00 10.00 H new ATOM 0 HE21 GLN A 6 2.920 18.788 0.987 1.00 10.00 H new ATOM 0 HE22 GLN A 6 2.325 20.408 0.611 1.00 10.00 H new ATOM 97 N ILE A 7 6.887 16.639 1.389 1.00 10.00 N ATOM 98 CA ILE A 7 7.146 15.176 1.241 1.00 10.00 C ATOM 99 C ILE A 7 7.596 14.860 -0.189 1.00 10.00 C ATOM 100 O ILE A 7 6.989 15.299 -1.145 1.00 10.00 O ATOM 101 CB ILE A 7 5.813 14.499 1.565 1.00 10.00 C ATOM 102 CG1 ILE A 7 4.803 14.801 0.462 1.00 10.00 C ATOM 103 CG2 ILE A 7 5.283 15.021 2.902 1.00 10.00 C ATOM 104 CD1 ILE A 7 5.047 13.844 -0.700 1.00 10.00 C ATOM 0 H ILE A 7 6.092 16.882 1.980 1.00 10.00 H new ATOM 0 HA ILE A 7 7.941 14.826 1.900 1.00 10.00 H new ATOM 0 HB ILE A 7 5.963 13.421 1.632 1.00 10.00 H new ATOM 0 HG12 ILE A 7 3.787 14.687 0.839 1.00 10.00 H new ATOM 0 HG13 ILE A 7 4.905 15.834 0.129 1.00 10.00 H new ATOM 0 HG21 ILE A 7 4.333 14.537 3.131 1.00 10.00 H new ATOM 0 HG22 ILE A 7 6.002 14.799 3.690 1.00 10.00 H new ATOM 0 HG23 ILE A 7 5.135 16.099 2.839 1.00 10.00 H new ATOM 0 HD11 ILE A 7 4.331 14.049 -1.496 1.00 10.00 H new ATOM 0 HD12 ILE A 7 6.060 13.982 -1.078 1.00 10.00 H new ATOM 0 HD13 ILE A 7 4.924 12.817 -0.357 1.00 10.00 H new ATOM 116 N PRO A 8 8.665 14.114 -0.283 1.00 10.00 N ATOM 117 CA PRO A 8 9.218 13.738 -1.603 1.00 10.00 C ATOM 118 C PRO A 8 8.367 12.650 -2.263 1.00 10.00 C ATOM 119 O PRO A 8 8.338 11.524 -1.809 1.00 10.00 O ATOM 120 CB PRO A 8 10.604 13.209 -1.278 1.00 10.00 C ATOM 121 CG PRO A 8 10.519 12.746 0.135 1.00 10.00 C ATOM 122 CD PRO A 8 9.450 13.559 0.820 1.00 10.00 C ATOM 0 HA PRO A 8 9.236 14.573 -2.303 1.00 10.00 H new ATOM 0 HB2 PRO A 8 10.881 12.392 -1.945 1.00 10.00 H new ATOM 0 HB3 PRO A 8 11.360 13.986 -1.394 1.00 10.00 H new ATOM 0 HG2 PRO A 8 10.277 11.684 0.176 1.00 10.00 H new ATOM 0 HG3 PRO A 8 11.478 12.874 0.638 1.00 10.00 H new ATOM 0 HD2 PRO A 8 8.836 12.940 1.475 1.00 10.00 H new ATOM 0 HD3 PRO A 8 9.882 14.346 1.438 1.00 10.00 H new ATOM 130 N PRO A 9 7.702 13.027 -3.319 1.00 10.00 N ATOM 131 CA PRO A 9 6.844 12.072 -4.059 1.00 10.00 C ATOM 132 C PRO A 9 7.707 11.095 -4.864 1.00 10.00 C ATOM 133 O PRO A 9 8.920 11.135 -4.810 1.00 10.00 O ATOM 134 CB PRO A 9 6.029 12.967 -4.988 1.00 10.00 C ATOM 135 CG PRO A 9 6.859 14.199 -5.168 1.00 10.00 C ATOM 136 CD PRO A 9 7.688 14.366 -3.920 1.00 10.00 C ATOM 0 HA PRO A 9 6.219 11.462 -3.407 1.00 10.00 H new ATOM 0 HB2 PRO A 9 5.840 12.476 -5.943 1.00 10.00 H new ATOM 0 HB3 PRO A 9 5.058 13.206 -4.554 1.00 10.00 H new ATOM 0 HG2 PRO A 9 7.499 14.106 -6.045 1.00 10.00 H new ATOM 0 HG3 PRO A 9 6.224 15.071 -5.327 1.00 10.00 H new ATOM 0 HD2 PRO A 9 8.696 14.709 -4.154 1.00 10.00 H new ATOM 0 HD3 PRO A 9 7.250 15.101 -3.245 1.00 10.00 H new ATOM 144 N GLY A 10 7.091 10.219 -5.611 1.00 10.00 N ATOM 145 CA GLY A 10 7.879 9.244 -6.419 1.00 10.00 C ATOM 146 C GLY A 10 8.442 8.154 -5.506 1.00 10.00 C ATOM 147 O GLY A 10 9.276 7.367 -5.907 1.00 10.00 O ATOM 0 H GLY A 10 6.078 10.136 -5.697 1.00 10.00 H new ATOM 0 HA2 GLY A 10 7.247 8.798 -7.187 1.00 10.00 H new ATOM 0 HA3 GLY A 10 8.692 9.756 -6.934 1.00 10.00 H new ATOM 151 N LEU A 11 7.993 8.100 -4.283 1.00 10.00 N ATOM 152 CA LEU A 11 8.503 7.059 -3.346 1.00 10.00 C ATOM 153 C LEU A 11 7.901 5.694 -3.695 1.00 10.00 C ATOM 154 O LEU A 11 8.477 4.661 -3.420 1.00 10.00 O ATOM 155 CB LEU A 11 8.035 7.512 -1.962 1.00 10.00 C ATOM 156 CG LEU A 11 9.249 7.863 -1.100 1.00 10.00 C ATOM 157 CD1 LEU A 11 8.967 9.149 -0.323 1.00 10.00 C ATOM 158 CD2 LEU A 11 9.520 6.723 -0.117 1.00 10.00 C ATOM 0 H LEU A 11 7.295 8.732 -3.891 1.00 10.00 H new ATOM 0 HA LEU A 11 9.586 6.951 -3.396 1.00 10.00 H new ATOM 0 HB2 LEU A 11 7.379 8.378 -2.054 1.00 10.00 H new ATOM 0 HB3 LEU A 11 7.455 6.721 -1.486 1.00 10.00 H new ATOM 0 HG LEU A 11 10.120 8.008 -1.739 1.00 10.00 H new ATOM 0 HD11 LEU A 11 9.832 9.400 0.292 1.00 10.00 H new ATOM 0 HD12 LEU A 11 8.771 9.961 -1.023 1.00 10.00 H new ATOM 0 HD13 LEU A 11 8.097 9.004 0.317 1.00 10.00 H new ATOM 0 HD21 LEU A 11 10.385 6.971 0.498 1.00 10.00 H new ATOM 0 HD22 LEU A 11 8.649 6.579 0.522 1.00 10.00 H new ATOM 0 HD23 LEU A 11 9.720 5.805 -0.670 1.00 10.00 H new ATOM 170 N THR A 12 6.745 5.685 -4.302 1.00 10.00 N ATOM 171 CA THR A 12 6.103 4.390 -4.669 1.00 10.00 C ATOM 172 C THR A 12 6.987 3.617 -5.650 1.00 10.00 C ATOM 173 O THR A 12 7.506 2.564 -5.337 1.00 10.00 O ATOM 174 CB THR A 12 4.779 4.780 -5.331 1.00 10.00 C ATOM 175 OG1 THR A 12 3.817 5.068 -4.325 1.00 10.00 O ATOM 176 CG2 THR A 12 4.277 3.628 -6.205 1.00 10.00 C ATOM 0 H THR A 12 6.217 6.519 -4.560 1.00 10.00 H new ATOM 0 HA THR A 12 5.953 3.744 -3.804 1.00 10.00 H new ATOM 0 HB THR A 12 4.932 5.661 -5.954 1.00 10.00 H new ATOM 0 HG1 THR A 12 2.969 5.320 -4.746 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.334 3.911 -6.674 1.00 10.00 H new ATOM 0 HG22 THR A 12 5.015 3.409 -6.977 1.00 10.00 H new ATOM 0 HG23 THR A 12 4.124 2.743 -5.588 1.00 10.00 H new ATOM 184 N GLU A 13 7.154 4.135 -6.834 1.00 10.00 N ATOM 185 CA GLU A 13 7.998 3.442 -7.852 1.00 10.00 C ATOM 186 C GLU A 13 9.184 2.739 -7.184 1.00 10.00 C ATOM 187 O GLU A 13 9.451 1.581 -7.438 1.00 10.00 O ATOM 188 CB GLU A 13 8.487 4.552 -8.785 1.00 10.00 C ATOM 189 CG GLU A 13 9.040 5.716 -7.960 1.00 10.00 C ATOM 190 CD GLU A 13 8.824 7.027 -8.718 1.00 10.00 C ATOM 191 OE1 GLU A 13 7.888 7.089 -9.498 1.00 10.00 O ATOM 192 OE2 GLU A 13 9.597 7.946 -8.506 1.00 10.00 O ATOM 0 H GLU A 13 6.740 5.014 -7.144 1.00 10.00 H new ATOM 0 HA GLU A 13 7.442 2.673 -8.387 1.00 10.00 H new ATOM 0 HB2 GLU A 13 9.260 4.166 -9.450 1.00 10.00 H new ATOM 0 HB3 GLU A 13 7.667 4.898 -9.415 1.00 10.00 H new ATOM 0 HG2 GLU A 13 8.542 5.758 -6.991 1.00 10.00 H new ATOM 0 HG3 GLU A 13 10.102 5.566 -7.767 1.00 10.00 H new ATOM 199 N LEU A 14 9.896 3.426 -6.333 1.00 10.00 N ATOM 200 CA LEU A 14 11.061 2.786 -5.655 1.00 10.00 C ATOM 201 C LEU A 14 10.615 1.513 -4.931 1.00 10.00 C ATOM 202 O LEU A 14 11.056 0.423 -5.242 1.00 10.00 O ATOM 203 CB LEU A 14 11.561 3.826 -4.648 1.00 10.00 C ATOM 204 CG LEU A 14 12.208 5.013 -5.374 1.00 10.00 C ATOM 205 CD1 LEU A 14 13.445 5.465 -4.596 1.00 10.00 C ATOM 206 CD2 LEU A 14 12.627 4.608 -6.791 1.00 10.00 C ATOM 0 H LEU A 14 9.723 4.398 -6.078 1.00 10.00 H new ATOM 0 HA LEU A 14 11.840 2.497 -6.361 1.00 10.00 H new ATOM 0 HB2 LEU A 14 10.730 4.176 -4.036 1.00 10.00 H new ATOM 0 HB3 LEU A 14 12.284 3.368 -3.973 1.00 10.00 H new ATOM 0 HG LEU A 14 11.485 5.826 -5.436 1.00 10.00 H new ATOM 0 HD11 LEU A 14 13.909 6.308 -5.108 1.00 10.00 H new ATOM 0 HD12 LEU A 14 13.152 5.767 -3.590 1.00 10.00 H new ATOM 0 HD13 LEU A 14 14.157 4.642 -4.535 1.00 10.00 H new ATOM 0 HD21 LEU A 14 13.084 5.461 -7.293 1.00 10.00 H new ATOM 0 HD22 LEU A 14 13.345 3.790 -6.738 1.00 10.00 H new ATOM 0 HD23 LEU A 14 11.750 4.285 -7.351 1.00 10.00 H new ATOM 218 N LEU A 15 9.746 1.641 -3.967 1.00 10.00 N ATOM 219 CA LEU A 15 9.274 0.437 -3.224 1.00 10.00 C ATOM 220 C LEU A 15 8.498 -0.491 -4.162 1.00 10.00 C ATOM 221 O LEU A 15 8.833 -1.649 -4.321 1.00 10.00 O ATOM 222 CB LEU A 15 8.359 0.980 -2.124 1.00 10.00 C ATOM 223 CG LEU A 15 9.050 2.138 -1.399 1.00 10.00 C ATOM 224 CD1 LEU A 15 8.303 2.443 -0.100 1.00 10.00 C ATOM 225 CD2 LEU A 15 10.495 1.750 -1.073 1.00 10.00 C ATOM 0 H LEU A 15 9.342 2.526 -3.661 1.00 10.00 H new ATOM 0 HA LEU A 15 10.099 -0.145 -2.813 1.00 10.00 H new ATOM 0 HB2 LEU A 15 7.418 1.319 -2.556 1.00 10.00 H new ATOM 0 HB3 LEU A 15 8.117 0.188 -1.415 1.00 10.00 H new ATOM 0 HG LEU A 15 9.046 3.020 -2.040 1.00 10.00 H new ATOM 0 HD11 LEU A 15 8.794 3.267 0.417 1.00 10.00 H new ATOM 0 HD12 LEU A 15 7.274 2.720 -0.329 1.00 10.00 H new ATOM 0 HD13 LEU A 15 8.308 1.560 0.539 1.00 10.00 H new ATOM 0 HD21 LEU A 15 10.986 2.575 -0.557 1.00 10.00 H new ATOM 0 HD22 LEU A 15 10.499 0.868 -0.433 1.00 10.00 H new ATOM 0 HD23 LEU A 15 11.030 1.530 -1.997 1.00 10.00 H new ATOM 237 N GLN A 16 7.467 0.008 -4.790 1.00 10.00 N ATOM 238 CA GLN A 16 6.678 -0.850 -5.720 1.00 10.00 C ATOM 239 C GLN A 16 7.624 -1.704 -6.567 1.00 10.00 C ATOM 240 O GLN A 16 7.561 -2.917 -6.552 1.00 10.00 O ATOM 241 CB GLN A 16 5.900 0.128 -6.603 1.00 10.00 C ATOM 242 CG GLN A 16 4.460 -0.363 -6.763 1.00 10.00 C ATOM 243 CD GLN A 16 3.759 0.456 -7.848 1.00 10.00 C ATOM 244 OE1 GLN A 16 4.197 0.484 -8.981 1.00 10.00 O ATOM 245 NE2 GLN A 16 2.682 1.129 -7.547 1.00 10.00 N ATOM 0 H GLN A 16 7.138 0.969 -4.700 1.00 10.00 H new ATOM 0 HA GLN A 16 6.013 -1.533 -5.192 1.00 10.00 H new ATOM 0 HB2 GLN A 16 5.909 1.123 -6.157 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.377 0.212 -7.579 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.452 -1.420 -7.029 1.00 10.00 H new ATOM 0 HG3 GLN A 16 3.925 -0.268 -5.818 1.00 10.00 H new ATOM 0 HE21 GLN A 16 2.315 1.105 -6.596 1.00 10.00 H new ATOM 0 HE22 GLN A 16 2.207 1.679 -8.263 1.00 10.00 H new ATOM 254 N GLY A 17 8.509 -1.081 -7.295 1.00 10.00 N ATOM 255 CA GLY A 17 9.462 -1.863 -8.129 1.00 10.00 C ATOM 256 C GLY A 17 10.039 -2.997 -7.283 1.00 10.00 C ATOM 257 O GLY A 17 10.036 -4.145 -7.679 1.00 10.00 O ATOM 0 H GLY A 17 8.613 -0.068 -7.348 1.00 10.00 H new ATOM 0 HA2 GLY A 17 8.954 -2.266 -9.005 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.262 -1.219 -8.493 1.00 10.00 H new ATOM 261 N TYR A 18 10.528 -2.683 -6.112 1.00 10.00 N ATOM 262 CA TYR A 18 11.095 -3.741 -5.232 1.00 10.00 C ATOM 263 C TYR A 18 10.202 -4.983 -5.267 1.00 10.00 C ATOM 264 O TYR A 18 10.611 -6.043 -5.695 1.00 10.00 O ATOM 265 CB TYR A 18 11.102 -3.126 -3.833 1.00 10.00 C ATOM 266 CG TYR A 18 12.346 -3.566 -3.101 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.592 -3.472 -3.729 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.252 -4.068 -1.798 1.00 10.00 C ATOM 269 CE1 TYR A 18 14.749 -3.883 -3.053 1.00 10.00 C ATOM 270 CE2 TYR A 18 13.407 -4.479 -1.121 1.00 10.00 C ATOM 271 CZ TYR A 18 14.655 -4.385 -1.749 1.00 10.00 C ATOM 272 OH TYR A 18 15.794 -4.790 -1.082 1.00 10.00 O ATOM 0 H TYR A 18 10.558 -1.738 -5.729 1.00 10.00 H new ATOM 0 HA TYR A 18 12.091 -4.054 -5.545 1.00 10.00 H new ATOM 0 HB2 TYR A 18 11.072 -2.039 -3.901 1.00 10.00 H new ATOM 0 HB3 TYR A 18 10.214 -3.436 -3.283 1.00 10.00 H new ATOM 0 HD1 TYR A 18 13.663 -3.083 -4.734 1.00 10.00 H new ATOM 0 HD2 TYR A 18 11.289 -4.138 -1.315 1.00 10.00 H new ATOM 0 HE1 TYR A 18 15.712 -3.813 -3.537 1.00 10.00 H new ATOM 0 HE2 TYR A 18 13.335 -4.868 -0.116 1.00 10.00 H new ATOM 0 HH TYR A 18 15.543 -5.326 -0.301 1.00 10.00 H new ATOM 282 N THR A 19 8.984 -4.855 -4.819 1.00 10.00 N ATOM 283 CA THR A 19 8.061 -6.025 -4.824 1.00 10.00 C ATOM 284 C THR A 19 8.110 -6.730 -6.185 1.00 10.00 C ATOM 285 O THR A 19 7.817 -7.905 -6.294 1.00 10.00 O ATOM 286 CB THR A 19 6.672 -5.429 -4.553 1.00 10.00 C ATOM 287 OG1 THR A 19 6.116 -6.045 -3.400 1.00 10.00 O ATOM 288 CG2 THR A 19 5.748 -5.666 -5.751 1.00 10.00 C ATOM 0 H THR A 19 8.588 -3.991 -4.450 1.00 10.00 H new ATOM 0 HA THR A 19 8.327 -6.775 -4.080 1.00 10.00 H new ATOM 0 HB THR A 19 6.771 -4.356 -4.391 1.00 10.00 H new ATOM 0 HG1 THR A 19 5.230 -5.666 -3.222 1.00 10.00 H new ATOM 0 HG21 THR A 19 4.767 -5.238 -5.544 1.00 10.00 H new ATOM 0 HG22 THR A 19 6.171 -5.192 -6.636 1.00 10.00 H new ATOM 0 HG23 THR A 19 5.647 -6.737 -5.926 1.00 10.00 H new ATOM 296 N VAL A 20 8.474 -6.024 -7.221 1.00 10.00 N ATOM 297 CA VAL A 20 8.537 -6.659 -8.571 1.00 10.00 C ATOM 298 C VAL A 20 9.926 -7.256 -8.817 1.00 10.00 C ATOM 299 O VAL A 20 10.067 -8.276 -9.465 1.00 10.00 O ATOM 300 CB VAL A 20 8.261 -5.526 -9.558 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.055 -6.110 -10.957 1.00 10.00 C ATOM 302 CG2 VAL A 20 6.999 -4.774 -9.131 1.00 10.00 C ATOM 0 H VAL A 20 8.730 -5.037 -7.192 1.00 10.00 H new ATOM 0 HA VAL A 20 7.820 -7.474 -8.673 1.00 10.00 H new ATOM 0 HB VAL A 20 9.107 -4.839 -9.570 1.00 10.00 H new ATOM 0 HG11 VAL A 20 7.858 -5.303 -11.663 1.00 10.00 H new ATOM 0 HG12 VAL A 20 8.952 -6.648 -11.262 1.00 10.00 H new ATOM 0 HG13 VAL A 20 7.208 -6.796 -10.944 1.00 10.00 H new ATOM 0 HG21 VAL A 20 6.802 -3.965 -9.835 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.152 -5.461 -9.120 1.00 10.00 H new ATOM 0 HG23 VAL A 20 7.143 -4.359 -8.133 1.00 10.00 H new ATOM 312 N GLU A 21 10.953 -6.639 -8.299 1.00 10.00 N ATOM 313 CA GLU A 21 12.328 -7.190 -8.505 1.00 10.00 C ATOM 314 C GLU A 21 12.499 -8.428 -7.634 1.00 10.00 C ATOM 315 O GLU A 21 13.012 -9.445 -8.058 1.00 10.00 O ATOM 316 CB GLU A 21 13.316 -6.106 -8.054 1.00 10.00 C ATOM 317 CG GLU A 21 12.649 -4.737 -8.084 1.00 10.00 C ATOM 318 CD GLU A 21 13.715 -3.649 -8.230 1.00 10.00 C ATOM 319 OE1 GLU A 21 14.487 -3.726 -9.171 1.00 10.00 O ATOM 320 OE2 GLU A 21 13.741 -2.758 -7.397 1.00 10.00 O ATOM 0 H GLU A 21 10.903 -5.784 -7.746 1.00 10.00 H new ATOM 0 HA GLU A 21 12.498 -7.462 -9.547 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.670 -6.324 -7.046 1.00 10.00 H new ATOM 0 HB3 GLU A 21 14.190 -6.107 -8.706 1.00 10.00 H new ATOM 0 HG2 GLU A 21 11.944 -4.683 -8.914 1.00 10.00 H new ATOM 0 HG3 GLU A 21 12.077 -4.580 -7.169 1.00 10.00 H new ATOM 327 N VAL A 22 12.064 -8.336 -6.411 1.00 10.00 N ATOM 328 CA VAL A 22 12.180 -9.486 -5.480 1.00 10.00 C ATOM 329 C VAL A 22 11.347 -10.664 -5.995 1.00 10.00 C ATOM 330 O VAL A 22 11.837 -11.764 -6.138 1.00 10.00 O ATOM 331 CB VAL A 22 11.620 -8.957 -4.162 1.00 10.00 C ATOM 332 CG1 VAL A 22 11.902 -9.958 -3.050 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.294 -7.625 -3.821 1.00 10.00 C ATOM 0 H VAL A 22 11.629 -7.504 -6.014 1.00 10.00 H new ATOM 0 HA VAL A 22 13.202 -9.850 -5.376 1.00 10.00 H new ATOM 0 HB VAL A 22 10.544 -8.812 -4.259 1.00 10.00 H new ATOM 0 HG11 VAL A 22 11.502 -9.579 -2.109 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.428 -10.910 -3.289 1.00 10.00 H new ATOM 0 HG13 VAL A 22 12.978 -10.102 -2.955 1.00 10.00 H new ATOM 0 HG21 VAL A 22 11.895 -7.246 -2.880 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.369 -7.775 -3.725 1.00 10.00 H new ATOM 0 HG23 VAL A 22 12.098 -6.904 -4.615 1.00 10.00 H new ATOM 343 N LEU A 23A 10.093 -10.439 -6.282 1.00 10.00 N ATOM 344 CA LEU A 23A 9.235 -11.548 -6.792 1.00 10.00 C ATOM 345 C LEU A 23A 9.871 -12.169 -8.039 1.00 10.00 C ATOM 346 O LEU A 23A 9.661 -13.326 -8.343 1.00 10.00 O ATOM 347 CB LEU A 23A 7.898 -10.893 -7.141 1.00 10.00 C ATOM 348 CG LEU A 23A 6.757 -11.687 -6.503 1.00 10.00 C ATOM 349 CD1 LEU A 23A 6.919 -11.683 -4.983 1.00 10.00 C ATOM 350 CD2 LEU A 23A 5.419 -11.042 -6.873 1.00 10.00 C ATOM 0 H LEU A 23A 9.626 -9.537 -6.186 1.00 10.00 H new ATOM 0 HA LEU A 23A 9.114 -12.347 -6.061 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 7.882 -9.863 -6.785 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 7.770 -10.858 -8.223 1.00 10.00 H new ATOM 0 HG LEU A 23A 6.781 -12.714 -6.868 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 6.106 -12.249 -4.529 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 7.872 -12.141 -4.717 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 6.895 -10.656 -4.617 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 4.605 -11.607 -6.419 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 5.396 -10.015 -6.507 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 5.302 -11.044 -7.957 1.00 10.00 H new ATOM 362 N ARG A 24 10.645 -11.407 -8.761 1.00 10.00 N ATOM 363 CA ARG A 24 11.295 -11.956 -9.987 1.00 10.00 C ATOM 364 C ARG A 24 12.307 -13.043 -9.609 1.00 10.00 C ATOM 365 O ARG A 24 12.774 -13.787 -10.448 1.00 10.00 O ATOM 366 CB ARG A 24 12.002 -10.761 -10.626 1.00 10.00 C ATOM 367 CG ARG A 24 11.142 -10.208 -11.765 1.00 10.00 C ATOM 368 CD ARG A 24 11.545 -10.875 -13.081 1.00 10.00 C ATOM 369 NE ARG A 24 10.718 -10.201 -14.122 1.00 10.00 N ATOM 370 CZ ARG A 24 9.429 -10.084 -13.957 1.00 10.00 C ATOM 371 NH1 ARG A 24 8.952 -9.124 -13.211 1.00 10.00 N ATOM 372 NH2 ARG A 24 8.617 -10.926 -14.536 1.00 10.00 N ATOM 0 H ARG A 24 10.856 -10.430 -8.557 1.00 10.00 H new ATOM 0 HA ARG A 24 10.577 -12.416 -10.666 1.00 10.00 H new ATOM 0 HB2 ARG A 24 12.177 -9.987 -9.879 1.00 10.00 H new ATOM 0 HB3 ARG A 24 12.978 -11.063 -11.007 1.00 10.00 H new ATOM 0 HG2 ARG A 24 10.087 -10.392 -11.560 1.00 10.00 H new ATOM 0 HG3 ARG A 24 11.269 -9.128 -11.839 1.00 10.00 H new ATOM 0 HD2 ARG A 24 12.609 -10.748 -13.279 1.00 10.00 H new ATOM 0 HD3 ARG A 24 11.351 -11.947 -13.056 1.00 10.00 H new ATOM 0 HE ARG A 24 11.160 -9.831 -14.964 1.00 10.00 H new ATOM 0 HH11 ARG A 24 9.587 -8.467 -12.758 1.00 10.00 H new ATOM 0 HH12 ARG A 24 7.945 -9.032 -13.081 1.00 10.00 H new ATOM 0 HH21 ARG A 24 8.990 -11.676 -15.118 1.00 10.00 H new ATOM 0 HH22 ARG A 24 7.609 -10.834 -14.407 1.00 10.00 H new ATOM 386 N GLN A 25 12.651 -13.139 -8.353 1.00 10.00 N ATOM 387 CA GLN A 25 13.633 -14.179 -7.930 1.00 10.00 C ATOM 388 C GLN A 25 13.499 -14.475 -6.430 1.00 10.00 C ATOM 389 O GLN A 25 14.362 -15.090 -5.835 1.00 10.00 O ATOM 390 CB GLN A 25 15.010 -13.578 -8.237 1.00 10.00 C ATOM 391 CG GLN A 25 14.951 -12.054 -8.103 1.00 10.00 C ATOM 392 CD GLN A 25 16.348 -11.516 -7.795 1.00 10.00 C ATOM 393 OE1 GLN A 25 16.501 -10.613 -6.996 1.00 10.00 O ATOM 394 NE2 GLN A 25 17.383 -12.033 -8.399 1.00 10.00 N ATOM 0 H GLN A 25 12.296 -12.545 -7.604 1.00 10.00 H new ATOM 0 HA GLN A 25 13.473 -15.123 -8.450 1.00 10.00 H new ATOM 0 HB2 GLN A 25 15.755 -13.984 -7.553 1.00 10.00 H new ATOM 0 HB3 GLN A 25 15.320 -13.852 -9.245 1.00 10.00 H new ATOM 0 HG2 GLN A 25 14.574 -11.611 -9.025 1.00 10.00 H new ATOM 0 HG3 GLN A 25 14.259 -11.774 -7.309 1.00 10.00 H new ATOM 0 HE21 GLN A 25 17.256 -12.791 -9.070 1.00 10.00 H new ATOM 0 HE22 GLN A 25 18.319 -11.679 -8.200 1.00 10.00 H new ATOM 403 N GLN A 26 12.425 -14.044 -5.819 1.00 10.00 N ATOM 404 CA GLN A 26 12.226 -14.298 -4.357 1.00 10.00 C ATOM 405 C GLN A 26 13.572 -14.467 -3.645 1.00 10.00 C ATOM 406 O GLN A 26 13.814 -15.471 -3.003 1.00 10.00 O ATOM 407 CB GLN A 26 11.417 -15.590 -4.291 1.00 10.00 C ATOM 408 CG GLN A 26 9.940 -15.277 -4.543 1.00 10.00 C ATOM 409 CD GLN A 26 9.088 -16.495 -4.178 1.00 10.00 C ATOM 410 OE1 GLN A 26 9.206 -17.032 -3.094 1.00 10.00 O ATOM 411 NE2 GLN A 26 8.228 -16.957 -5.045 1.00 10.00 N ATOM 0 H GLN A 26 11.673 -13.524 -6.271 1.00 10.00 H new ATOM 0 HA GLN A 26 11.719 -13.469 -3.864 1.00 10.00 H new ATOM 0 HB2 GLN A 26 11.782 -16.299 -5.034 1.00 10.00 H new ATOM 0 HB3 GLN A 26 11.539 -16.060 -3.315 1.00 10.00 H new ATOM 0 HG2 GLN A 26 9.634 -14.415 -3.950 1.00 10.00 H new ATOM 0 HG3 GLN A 26 9.787 -15.014 -5.590 1.00 10.00 H new ATOM 0 HE21 GLN A 26 8.129 -16.506 -5.955 1.00 10.00 H new ATOM 0 HE22 GLN A 26 7.655 -17.768 -4.813 1.00 10.00 H new ATOM 420 N PRO A 27 14.409 -13.475 -3.788 1.00 10.00 N ATOM 421 CA PRO A 27 15.749 -13.507 -3.157 1.00 10.00 C ATOM 422 C PRO A 27 15.638 -13.352 -1.638 1.00 10.00 C ATOM 423 O PRO A 27 15.150 -12.353 -1.151 1.00 10.00 O ATOM 424 CB PRO A 27 16.465 -12.307 -3.770 1.00 10.00 C ATOM 425 CG PRO A 27 15.370 -11.380 -4.183 1.00 10.00 C ATOM 426 CD PRO A 27 14.188 -12.239 -4.543 1.00 10.00 C ATOM 0 HA PRO A 27 16.274 -14.447 -3.327 1.00 10.00 H new ATOM 0 HB2 PRO A 27 17.133 -11.834 -3.050 1.00 10.00 H new ATOM 0 HB3 PRO A 27 17.075 -12.604 -4.623 1.00 10.00 H new ATOM 0 HG2 PRO A 27 15.118 -10.694 -3.374 1.00 10.00 H new ATOM 0 HG3 PRO A 27 15.679 -10.771 -5.033 1.00 10.00 H new ATOM 0 HD2 PRO A 27 13.248 -11.763 -4.264 1.00 10.00 H new ATOM 0 HD3 PRO A 27 14.143 -12.428 -5.616 1.00 10.00 H new ATOM 434 N PRO A 28 16.106 -14.351 -0.939 1.00 10.00 N ATOM 435 CA PRO A 28 16.071 -14.326 0.542 1.00 10.00 C ATOM 436 C PRO A 28 17.067 -13.294 1.079 1.00 10.00 C ATOM 437 O PRO A 28 17.193 -13.098 2.272 1.00 10.00 O ATOM 438 CB PRO A 28 16.484 -15.741 0.935 1.00 10.00 C ATOM 439 CG PRO A 28 17.279 -16.240 -0.227 1.00 10.00 C ATOM 440 CD PRO A 28 16.705 -15.583 -1.453 1.00 10.00 C ATOM 0 HA PRO A 28 15.097 -14.047 0.945 1.00 10.00 H new ATOM 0 HB2 PRO A 28 17.077 -15.741 1.850 1.00 10.00 H new ATOM 0 HB3 PRO A 28 15.614 -16.371 1.119 1.00 10.00 H new ATOM 0 HG2 PRO A 28 18.334 -15.990 -0.111 1.00 10.00 H new ATOM 0 HG3 PRO A 28 17.215 -17.325 -0.303 1.00 10.00 H new ATOM 0 HD2 PRO A 28 17.477 -15.374 -2.194 1.00 10.00 H new ATOM 0 HD3 PRO A 28 15.962 -16.218 -1.937 1.00 10.00 H new ATOM 448 N ASP A 29 17.779 -12.635 0.204 1.00 10.00 N ATOM 449 CA ASP A 29 18.772 -11.618 0.657 1.00 10.00 C ATOM 450 C ASP A 29 18.194 -10.215 0.512 1.00 10.00 C ATOM 451 O ASP A 29 18.907 -9.250 0.326 1.00 10.00 O ATOM 452 CB ASP A 29 19.960 -11.792 -0.276 1.00 10.00 C ATOM 453 CG ASP A 29 20.889 -12.878 0.266 1.00 10.00 C ATOM 454 OD1 ASP A 29 21.722 -12.556 1.097 1.00 10.00 O ATOM 455 OD2 ASP A 29 20.753 -14.012 -0.160 1.00 10.00 O ATOM 0 H ASP A 29 17.716 -12.757 -0.807 1.00 10.00 H new ATOM 0 HA ASP A 29 19.045 -11.747 1.704 1.00 10.00 H new ATOM 0 HB2 ASP A 29 19.614 -12.061 -1.274 1.00 10.00 H new ATOM 0 HB3 ASP A 29 20.502 -10.851 -0.370 1.00 10.00 H new ATOM 460 N LEU A 30 16.906 -10.112 0.594 1.00 10.00 N ATOM 461 CA LEU A 30 16.235 -8.782 0.462 1.00 10.00 C ATOM 462 C LEU A 30 17.157 -7.669 0.965 1.00 10.00 C ATOM 463 O LEU A 30 17.547 -6.793 0.218 1.00 10.00 O ATOM 464 CB LEU A 30 14.984 -8.879 1.335 1.00 10.00 C ATOM 465 CG LEU A 30 13.881 -7.998 0.745 1.00 10.00 C ATOM 466 CD1 LEU A 30 13.101 -8.792 -0.305 1.00 10.00 C ATOM 467 CD2 LEU A 30 12.929 -7.558 1.860 1.00 10.00 C ATOM 0 H LEU A 30 16.274 -10.897 0.749 1.00 10.00 H new ATOM 0 HA LEU A 30 15.991 -8.546 -0.574 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.646 -9.914 1.392 1.00 10.00 H new ATOM 0 HB3 LEU A 30 15.212 -8.562 2.353 1.00 10.00 H new ATOM 0 HG LEU A 30 14.328 -7.120 0.279 1.00 10.00 H new ATOM 0 HD11 LEU A 30 12.315 -8.165 -0.726 1.00 10.00 H new ATOM 0 HD12 LEU A 30 13.778 -9.107 -1.099 1.00 10.00 H new ATOM 0 HD13 LEU A 30 12.654 -9.670 0.161 1.00 10.00 H new ATOM 0 HD21 LEU A 30 12.143 -6.930 1.441 1.00 10.00 H new ATOM 0 HD22 LEU A 30 12.482 -8.437 2.325 1.00 10.00 H new ATOM 0 HD23 LEU A 30 13.483 -6.993 2.610 1.00 10.00 H new ATOM 479 N VAL A 31 17.520 -7.702 2.219 1.00 10.00 N ATOM 480 CA VAL A 31 18.432 -6.650 2.753 1.00 10.00 C ATOM 481 C VAL A 31 19.521 -6.363 1.726 1.00 10.00 C ATOM 482 O VAL A 31 19.572 -5.305 1.130 1.00 10.00 O ATOM 483 CB VAL A 31 19.050 -7.259 4.009 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.816 -6.181 4.778 1.00 10.00 C ATOM 485 CG2 VAL A 31 17.939 -7.826 4.895 1.00 10.00 C ATOM 0 H VAL A 31 17.226 -8.408 2.894 1.00 10.00 H new ATOM 0 HA VAL A 31 17.914 -5.715 2.966 1.00 10.00 H new ATOM 0 HB VAL A 31 19.736 -8.057 3.727 1.00 10.00 H new ATOM 0 HG11 VAL A 31 20.257 -6.617 5.674 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.606 -5.775 4.146 1.00 10.00 H new ATOM 0 HG13 VAL A 31 19.132 -5.381 5.062 1.00 10.00 H new ATOM 0 HG21 VAL A 31 18.377 -8.262 5.793 1.00 10.00 H new ATOM 0 HG22 VAL A 31 17.254 -7.026 5.177 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.394 -8.595 4.347 1.00 10.00 H new ATOM 495 N ASP A 32 20.381 -7.313 1.506 1.00 10.00 N ATOM 496 CA ASP A 32 21.461 -7.124 0.508 1.00 10.00 C ATOM 497 C ASP A 32 20.858 -6.602 -0.794 1.00 10.00 C ATOM 498 O ASP A 32 21.317 -5.629 -1.357 1.00 10.00 O ATOM 499 CB ASP A 32 22.048 -8.521 0.326 1.00 10.00 C ATOM 500 CG ASP A 32 23.515 -8.413 -0.093 1.00 10.00 C ATOM 501 OD1 ASP A 32 23.830 -7.500 -0.839 1.00 10.00 O ATOM 502 OD2 ASP A 32 24.297 -9.243 0.339 1.00 10.00 O ATOM 0 H ASP A 32 20.381 -8.217 1.978 1.00 10.00 H new ATOM 0 HA ASP A 32 22.220 -6.404 0.815 1.00 10.00 H new ATOM 0 HB2 ASP A 32 21.966 -9.084 1.255 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.483 -9.068 -0.429 1.00 10.00 H new ATOM 507 N PHE A 33 19.813 -7.226 -1.263 1.00 10.00 N ATOM 508 CA PHE A 33 19.165 -6.742 -2.513 1.00 10.00 C ATOM 509 C PHE A 33 18.931 -5.237 -2.389 1.00 10.00 C ATOM 510 O PHE A 33 19.427 -4.453 -3.173 1.00 10.00 O ATOM 511 CB PHE A 33 17.835 -7.498 -2.583 1.00 10.00 C ATOM 512 CG PHE A 33 17.200 -7.329 -3.949 1.00 10.00 C ATOM 513 CD1 PHE A 33 17.451 -6.181 -4.715 1.00 10.00 C ATOM 514 CD2 PHE A 33 16.350 -8.325 -4.446 1.00 10.00 C ATOM 515 CE1 PHE A 33 16.853 -6.033 -5.973 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.752 -8.176 -5.704 1.00 10.00 C ATOM 517 CZ PHE A 33 16.004 -7.030 -6.468 1.00 10.00 C ATOM 0 H PHE A 33 19.382 -8.046 -0.837 1.00 10.00 H new ATOM 0 HA PHE A 33 19.764 -6.912 -3.407 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.000 -8.556 -2.381 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.159 -7.128 -1.813 1.00 10.00 H new ATOM 0 HD1 PHE A 33 18.106 -5.411 -4.335 1.00 10.00 H new ATOM 0 HD2 PHE A 33 16.155 -9.210 -3.858 1.00 10.00 H new ATOM 0 HE1 PHE A 33 17.047 -5.149 -6.562 1.00 10.00 H new ATOM 0 HE2 PHE A 33 15.096 -8.945 -6.085 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.544 -6.915 -7.438 1.00 10.00 H new ATOM 527 N ALA A 34 18.189 -4.832 -1.395 1.00 10.00 N ATOM 528 CA ALA A 34 17.930 -3.379 -1.206 1.00 10.00 C ATOM 529 C ALA A 34 19.209 -2.591 -1.478 1.00 10.00 C ATOM 530 O ALA A 34 19.220 -1.659 -2.258 1.00 10.00 O ATOM 531 CB ALA A 34 17.512 -3.239 0.258 1.00 10.00 C ATOM 0 H ALA A 34 17.752 -5.445 -0.707 1.00 10.00 H new ATOM 0 HA ALA A 34 17.165 -2.997 -1.882 1.00 10.00 H new ATOM 0 HB1 ALA A 34 17.303 -2.192 0.478 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.617 -3.834 0.439 1.00 10.00 H new ATOM 0 HB3 ALA A 34 18.318 -3.591 0.902 1.00 10.00 H new ATOM 537 N VAL A 35 20.291 -2.962 -0.850 1.00 10.00 N ATOM 538 CA VAL A 35 21.560 -2.246 -1.082 1.00 10.00 C ATOM 539 C VAL A 35 22.014 -2.452 -2.528 1.00 10.00 C ATOM 540 O VAL A 35 22.220 -1.509 -3.264 1.00 10.00 O ATOM 541 CB VAL A 35 22.537 -2.891 -0.105 1.00 10.00 C ATOM 542 CG1 VAL A 35 23.757 -2.000 0.031 1.00 10.00 C ATOM 543 CG2 VAL A 35 21.874 -3.044 1.267 1.00 10.00 C ATOM 0 H VAL A 35 20.343 -3.734 -0.185 1.00 10.00 H new ATOM 0 HA VAL A 35 21.480 -1.170 -0.930 1.00 10.00 H new ATOM 0 HB VAL A 35 22.828 -3.873 -0.477 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.462 -2.453 0.728 1.00 10.00 H new ATOM 0 HG12 VAL A 35 24.233 -1.884 -0.943 1.00 10.00 H new ATOM 0 HG13 VAL A 35 23.454 -1.022 0.406 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.576 -3.505 1.961 1.00 10.00 H new ATOM 0 HG22 VAL A 35 21.584 -2.063 1.643 1.00 10.00 H new ATOM 0 HG23 VAL A 35 20.989 -3.673 1.175 1.00 10.00 H new ATOM 553 N GLU A 36 22.164 -3.683 -2.942 1.00 10.00 N ATOM 554 CA GLU A 36 22.599 -3.953 -4.344 1.00 10.00 C ATOM 555 C GLU A 36 21.919 -2.982 -5.313 1.00 10.00 C ATOM 556 O GLU A 36 22.570 -2.252 -6.035 1.00 10.00 O ATOM 557 CB GLU A 36 22.149 -5.388 -4.624 1.00 10.00 C ATOM 558 CG GLU A 36 23.305 -6.351 -4.348 1.00 10.00 C ATOM 559 CD GLU A 36 23.488 -7.286 -5.545 1.00 10.00 C ATOM 560 OE1 GLU A 36 22.520 -7.922 -5.928 1.00 10.00 O ATOM 561 OE2 GLU A 36 24.594 -7.351 -6.056 1.00 10.00 O ATOM 0 H GLU A 36 22.004 -4.512 -2.370 1.00 10.00 H new ATOM 0 HA GLU A 36 23.674 -3.825 -4.473 1.00 10.00 H new ATOM 0 HB2 GLU A 36 21.294 -5.641 -3.997 1.00 10.00 H new ATOM 0 HB3 GLU A 36 21.823 -5.482 -5.660 1.00 10.00 H new ATOM 0 HG2 GLU A 36 24.223 -5.792 -4.167 1.00 10.00 H new ATOM 0 HG3 GLU A 36 23.102 -6.931 -3.448 1.00 10.00 H new ATOM 568 N TYR A 37 20.616 -2.972 -5.338 1.00 10.00 N ATOM 569 CA TYR A 37 19.894 -2.053 -6.263 1.00 10.00 C ATOM 570 C TYR A 37 20.182 -0.592 -5.902 1.00 10.00 C ATOM 571 O TYR A 37 20.954 0.080 -6.556 1.00 10.00 O ATOM 572 CB TYR A 37 18.413 -2.372 -6.058 1.00 10.00 C ATOM 573 CG TYR A 37 17.575 -1.317 -6.739 1.00 10.00 C ATOM 574 CD1 TYR A 37 17.932 -0.855 -8.012 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.442 -0.800 -6.098 1.00 10.00 C ATOM 576 CE1 TYR A 37 17.157 0.127 -8.643 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.668 0.181 -6.729 1.00 10.00 C ATOM 578 CZ TYR A 37 16.025 0.644 -8.002 1.00 10.00 C ATOM 579 OH TYR A 37 15.262 1.610 -8.623 1.00 10.00 O ATOM 0 H TYR A 37 20.019 -3.561 -4.758 1.00 10.00 H new ATOM 0 HA TYR A 37 20.204 -2.187 -7.299 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.181 -3.356 -6.466 1.00 10.00 H new ATOM 0 HB3 TYR A 37 18.181 -2.406 -4.994 1.00 10.00 H new ATOM 0 HD1 TYR A 37 18.804 -1.255 -8.507 1.00 10.00 H new ATOM 0 HD2 TYR A 37 16.166 -1.158 -5.117 1.00 10.00 H new ATOM 0 HE1 TYR A 37 17.433 0.485 -9.624 1.00 10.00 H new ATOM 0 HE2 TYR A 37 14.795 0.581 -6.234 1.00 10.00 H new ATOM 0 HH TYR A 37 14.513 1.859 -8.042 1.00 10.00 H new ATOM 589 N PHE A 38 19.560 -0.096 -4.868 1.00 10.00 N ATOM 590 CA PHE A 38 19.787 1.322 -4.466 1.00 10.00 C ATOM 591 C PHE A 38 21.273 1.683 -4.563 1.00 10.00 C ATOM 592 O PHE A 38 21.653 2.568 -5.303 1.00 10.00 O ATOM 593 CB PHE A 38 19.300 1.401 -3.020 1.00 10.00 C ATOM 594 CG PHE A 38 17.791 1.344 -2.999 1.00 10.00 C ATOM 595 CD1 PHE A 38 17.049 2.151 -3.872 1.00 10.00 C ATOM 596 CD2 PHE A 38 17.134 0.485 -2.110 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.651 2.098 -3.855 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.734 0.432 -2.094 1.00 10.00 C ATOM 599 CZ PHE A 38 14.992 1.239 -2.967 1.00 10.00 C ATOM 0 H PHE A 38 18.903 -0.612 -4.283 1.00 10.00 H new ATOM 0 HA PHE A 38 19.260 2.023 -5.114 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.715 0.577 -2.439 1.00 10.00 H new ATOM 0 HB3 PHE A 38 19.647 2.325 -2.557 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.556 2.814 -4.558 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.706 -0.136 -1.437 1.00 10.00 H new ATOM 0 HE1 PHE A 38 15.079 2.720 -4.528 1.00 10.00 H new ATOM 0 HE2 PHE A 38 15.227 -0.231 -1.409 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.913 1.198 -2.955 1.00 10.00 H new ATOM 609 N THR A 39 22.117 1.010 -3.826 1.00 10.00 N ATOM 610 CA THR A 39 23.575 1.329 -3.892 1.00 10.00 C ATOM 611 C THR A 39 23.977 1.613 -5.340 1.00 10.00 C ATOM 612 O THR A 39 24.612 2.605 -5.635 1.00 10.00 O ATOM 613 CB THR A 39 24.286 0.079 -3.373 1.00 10.00 C ATOM 614 OG1 THR A 39 24.083 -0.033 -1.972 1.00 10.00 O ATOM 615 CG2 THR A 39 25.783 0.180 -3.668 1.00 10.00 C ATOM 0 H THR A 39 21.863 0.258 -3.185 1.00 10.00 H new ATOM 0 HA THR A 39 23.834 2.210 -3.305 1.00 10.00 H new ATOM 0 HB THR A 39 23.880 -0.802 -3.870 1.00 10.00 H new ATOM 0 HG1 THR A 39 24.936 0.094 -1.507 1.00 10.00 H new ATOM 0 HG21 THR A 39 26.288 -0.712 -3.297 1.00 10.00 H new ATOM 0 HG22 THR A 39 25.937 0.263 -4.744 1.00 10.00 H new ATOM 0 HG23 THR A 39 26.193 1.061 -3.174 1.00 10.00 H new ATOM 623 N ARG A 40 23.600 0.755 -6.249 1.00 10.00 N ATOM 624 CA ARG A 40 23.951 0.987 -7.678 1.00 10.00 C ATOM 625 C ARG A 40 23.459 2.372 -8.102 1.00 10.00 C ATOM 626 O ARG A 40 24.129 3.090 -8.817 1.00 10.00 O ATOM 627 CB ARG A 40 23.219 -0.108 -8.453 1.00 10.00 C ATOM 628 CG ARG A 40 24.063 -0.530 -9.658 1.00 10.00 C ATOM 629 CD ARG A 40 24.233 -2.051 -9.656 1.00 10.00 C ATOM 630 NE ARG A 40 25.460 -2.302 -10.464 1.00 10.00 N ATOM 631 CZ ARG A 40 26.596 -1.760 -10.114 1.00 10.00 C ATOM 632 NH1 ARG A 40 26.844 -1.522 -8.854 1.00 10.00 N ATOM 633 NH2 ARG A 40 27.483 -1.459 -11.023 1.00 10.00 N ATOM 0 H ARG A 40 23.066 -0.094 -6.064 1.00 10.00 H new ATOM 0 HA ARG A 40 25.025 0.953 -7.859 1.00 10.00 H new ATOM 0 HB2 ARG A 40 23.035 -0.966 -7.806 1.00 10.00 H new ATOM 0 HB3 ARG A 40 22.246 0.255 -8.786 1.00 10.00 H new ATOM 0 HG2 ARG A 40 23.583 -0.209 -10.582 1.00 10.00 H new ATOM 0 HG3 ARG A 40 25.038 -0.045 -9.620 1.00 10.00 H new ATOM 0 HD2 ARG A 40 24.343 -2.435 -8.642 1.00 10.00 H new ATOM 0 HD3 ARG A 40 23.365 -2.546 -10.092 1.00 10.00 H new ATOM 0 HE ARG A 40 25.413 -2.897 -11.291 1.00 10.00 H new ATOM 0 HH11 ARG A 40 26.151 -1.759 -8.144 1.00 10.00 H new ATOM 0 HH12 ARG A 40 27.731 -1.099 -8.580 1.00 10.00 H new ATOM 0 HH21 ARG A 40 27.289 -1.647 -12.007 1.00 10.00 H new ATOM 0 HH22 ARG A 40 28.370 -1.036 -10.750 1.00 10.00 H new ATOM 647 N LEU A 41 22.293 2.752 -7.654 1.00 10.00 N ATOM 648 CA LEU A 41 21.753 4.093 -8.014 1.00 10.00 C ATOM 649 C LEU A 41 22.580 5.180 -7.326 1.00 10.00 C ATOM 650 O LEU A 41 22.611 6.314 -7.755 1.00 10.00 O ATOM 651 CB LEU A 41 20.315 4.095 -7.487 1.00 10.00 C ATOM 652 CG LEU A 41 19.326 3.774 -8.618 1.00 10.00 C ATOM 653 CD1 LEU A 41 20.036 3.044 -9.763 1.00 10.00 C ATOM 654 CD2 LEU A 41 18.211 2.882 -8.071 1.00 10.00 C ATOM 0 H LEU A 41 21.690 2.190 -7.053 1.00 10.00 H new ATOM 0 HA LEU A 41 21.790 4.288 -9.086 1.00 10.00 H new ATOM 0 HB2 LEU A 41 20.213 3.361 -6.688 1.00 10.00 H new ATOM 0 HB3 LEU A 41 20.081 5.069 -7.057 1.00 10.00 H new ATOM 0 HG LEU A 41 18.911 4.708 -8.998 1.00 10.00 H new ATOM 0 HD11 LEU A 41 19.319 2.825 -10.555 1.00 10.00 H new ATOM 0 HD12 LEU A 41 20.832 3.675 -10.158 1.00 10.00 H new ATOM 0 HD13 LEU A 41 20.462 2.112 -9.392 1.00 10.00 H new ATOM 0 HD21 LEU A 41 17.506 2.651 -8.869 1.00 10.00 H new ATOM 0 HD22 LEU A 41 18.641 1.957 -7.687 1.00 10.00 H new ATOM 0 HD23 LEU A 41 17.691 3.402 -7.266 1.00 10.00 H new ATOM 666 N ARG A 42 23.256 4.838 -6.264 1.00 10.00 N ATOM 667 CA ARG A 42 24.090 5.847 -5.556 1.00 10.00 C ATOM 668 C ARG A 42 25.321 6.179 -6.401 1.00 10.00 C ATOM 669 O ARG A 42 25.848 7.273 -6.350 1.00 10.00 O ATOM 670 CB ARG A 42 24.501 5.174 -4.245 1.00 10.00 C ATOM 671 CG ARG A 42 23.975 5.992 -3.065 1.00 10.00 C ATOM 672 CD ARG A 42 25.154 6.468 -2.213 1.00 10.00 C ATOM 673 NE ARG A 42 25.763 5.223 -1.672 1.00 10.00 N ATOM 674 CZ ARG A 42 26.280 5.218 -0.473 1.00 10.00 C ATOM 675 NH1 ARG A 42 25.631 5.762 0.518 1.00 10.00 N ATOM 676 NH2 ARG A 42 27.447 4.671 -0.269 1.00 10.00 N ATOM 0 H ARG A 42 23.266 3.903 -5.857 1.00 10.00 H new ATOM 0 HA ARG A 42 23.558 6.781 -5.378 1.00 10.00 H new ATOM 0 HB2 ARG A 42 24.103 4.160 -4.204 1.00 10.00 H new ATOM 0 HB3 ARG A 42 25.587 5.093 -4.190 1.00 10.00 H new ATOM 0 HG2 ARG A 42 23.404 6.847 -3.426 1.00 10.00 H new ATOM 0 HG3 ARG A 42 23.297 5.388 -2.463 1.00 10.00 H new ATOM 0 HD2 ARG A 42 25.871 7.031 -2.810 1.00 10.00 H new ATOM 0 HD3 ARG A 42 24.821 7.126 -1.410 1.00 10.00 H new ATOM 0 HE ARG A 42 25.777 4.374 -2.237 1.00 10.00 H new ATOM 0 HH11 ARG A 42 24.720 6.191 0.357 1.00 10.00 H new ATOM 0 HH12 ARG A 42 26.034 5.758 1.455 1.00 10.00 H new ATOM 0 HH21 ARG A 42 27.955 4.248 -1.046 1.00 10.00 H new ATOM 0 HH22 ARG A 42 27.852 4.667 0.667 1.00 10.00 H new ATOM 690 N GLU A 43 25.778 5.239 -7.183 1.00 10.00 N ATOM 691 CA GLU A 43 26.971 5.492 -8.040 1.00 10.00 C ATOM 692 C GLU A 43 26.609 6.457 -9.172 1.00 10.00 C ATOM 693 O GLU A 43 27.469 7.021 -9.817 1.00 10.00 O ATOM 694 CB GLU A 43 27.347 4.123 -8.606 1.00 10.00 C ATOM 695 CG GLU A 43 28.004 3.279 -7.512 1.00 10.00 C ATOM 696 CD GLU A 43 29.372 3.869 -7.166 1.00 10.00 C ATOM 697 OE1 GLU A 43 30.312 3.603 -7.896 1.00 10.00 O ATOM 698 OE2 GLU A 43 29.456 4.575 -6.175 1.00 10.00 O ATOM 0 H GLU A 43 25.376 4.305 -7.265 1.00 10.00 H new ATOM 0 HA GLU A 43 27.793 5.944 -7.484 1.00 10.00 H new ATOM 0 HB2 GLU A 43 26.458 3.618 -8.985 1.00 10.00 H new ATOM 0 HB3 GLU A 43 28.029 4.241 -9.448 1.00 10.00 H new ATOM 0 HG2 GLU A 43 27.371 3.257 -6.625 1.00 10.00 H new ATOM 0 HG3 GLU A 43 28.115 2.249 -7.850 1.00 10.00 H new ATOM 705 N ALA A 44 25.341 6.650 -9.416 1.00 10.00 N ATOM 706 CA ALA A 44 24.926 7.579 -10.506 1.00 10.00 C ATOM 707 C ALA A 44 25.788 8.834 -10.489 1.00 10.00 C ATOM 708 O ALA A 44 26.701 8.987 -11.277 1.00 10.00 O ATOM 709 CB ALA A 44 23.483 7.964 -10.188 1.00 10.00 C ATOM 0 H ALA A 44 24.576 6.205 -8.909 1.00 10.00 H new ATOM 0 HA ALA A 44 25.030 7.112 -11.485 1.00 10.00 H new ATOM 0 HB1 ALA A 44 23.112 8.648 -10.951 1.00 10.00 H new ATOM 0 HB2 ALA A 44 22.863 7.068 -10.172 1.00 10.00 H new ATOM 0 HB3 ALA A 44 23.443 8.451 -9.214 1.00 10.00 H new ATOM 715 N ARG A 45 25.480 9.735 -9.596 1.00 10.00 N ATOM 716 CA ARG A 45 26.237 11.011 -9.497 1.00 10.00 C ATOM 717 C ARG A 45 27.096 11.229 -10.747 1.00 10.00 C ATOM 718 O ARG A 45 28.201 10.736 -10.844 1.00 10.00 O ATOM 719 CB ARG A 45 27.114 10.860 -8.253 1.00 10.00 C ATOM 720 CG ARG A 45 26.386 11.445 -7.040 1.00 10.00 C ATOM 721 CD ARG A 45 27.100 12.717 -6.580 1.00 10.00 C ATOM 722 NE ARG A 45 27.037 12.678 -5.092 1.00 10.00 N ATOM 723 CZ ARG A 45 28.128 12.521 -4.395 1.00 10.00 C ATOM 724 NH1 ARG A 45 29.004 13.487 -4.327 1.00 10.00 N ATOM 725 NH2 ARG A 45 28.346 11.398 -3.766 1.00 10.00 N ATOM 0 H ARG A 45 24.722 9.637 -8.920 1.00 10.00 H new ATOM 0 HA ARG A 45 25.575 11.874 -9.424 1.00 10.00 H new ATOM 0 HB2 ARG A 45 27.342 9.808 -8.081 1.00 10.00 H new ATOM 0 HB3 ARG A 45 28.065 11.372 -8.401 1.00 10.00 H new ATOM 0 HG2 ARG A 45 25.351 11.669 -7.297 1.00 10.00 H new ATOM 0 HG3 ARG A 45 26.362 10.716 -6.230 1.00 10.00 H new ATOM 0 HD2 ARG A 45 28.132 12.739 -6.931 1.00 10.00 H new ATOM 0 HD3 ARG A 45 26.610 13.608 -6.973 1.00 10.00 H new ATOM 0 HE ARG A 45 26.139 12.774 -4.618 1.00 10.00 H new ATOM 0 HH11 ARG A 45 28.835 14.364 -4.819 1.00 10.00 H new ATOM 0 HH12 ARG A 45 29.857 13.364 -3.782 1.00 10.00 H new ATOM 0 HH21 ARG A 45 27.663 10.643 -3.819 1.00 10.00 H new ATOM 0 HH22 ARG A 45 29.200 11.276 -3.221 1.00 10.00 H new ATOM 739 N ARG A 46 26.590 11.955 -11.706 1.00 10.00 N ATOM 740 CA ARG A 46 27.373 12.194 -12.951 1.00 10.00 C ATOM 741 C ARG A 46 27.672 10.858 -13.638 1.00 10.00 C ATOM 742 O ARG A 46 28.593 10.186 -13.206 1.00 10.00 O ATOM 743 CB ARG A 46 28.666 12.875 -12.487 1.00 10.00 C ATOM 744 CG ARG A 46 29.820 12.485 -13.414 1.00 10.00 C ATOM 745 CD ARG A 46 30.724 13.699 -13.651 1.00 10.00 C ATOM 746 NE ARG A 46 31.318 13.485 -15.003 1.00 10.00 N ATOM 747 CZ ARG A 46 31.612 12.277 -15.407 1.00 10.00 C ATOM 748 NH1 ARG A 46 32.779 11.763 -15.133 1.00 10.00 N ATOM 749 NH2 ARG A 46 30.736 11.584 -16.083 1.00 10.00 N ATOM 750 OXT ARG A 46 26.974 10.530 -14.582 1.00 10.00 O ATOM 0 H ARG A 46 25.669 12.393 -11.681 1.00 10.00 H new ATOM 0 HA ARG A 46 26.836 12.810 -13.673 1.00 10.00 H new ATOM 0 HB2 ARG A 46 28.538 13.957 -12.487 1.00 10.00 H new ATOM 0 HB3 ARG A 46 28.895 12.581 -11.463 1.00 10.00 H new ATOM 0 HG2 ARG A 46 30.395 11.672 -12.972 1.00 10.00 H new ATOM 0 HG3 ARG A 46 29.429 12.120 -14.364 1.00 10.00 H new ATOM 0 HD2 ARG A 46 30.154 14.628 -13.613 1.00 10.00 H new ATOM 0 HD3 ARG A 46 31.498 13.769 -12.887 1.00 10.00 H new ATOM 0 HE ARG A 46 31.495 14.283 -15.613 1.00 10.00 H new ATOM 0 HH11 ARG A 46 33.463 12.304 -14.603 1.00 10.00 H new ATOM 0 HH12 ARG A 46 33.008 10.820 -15.448 1.00 10.00 H new ATOM 0 HH21 ARG A 46 29.823 11.985 -16.296 1.00 10.00 H new ATOM 0 HH22 ARG A 46 30.965 10.641 -16.398 1.00 10.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 18.434 -25.257 9.119 1.00 10.00 N ATOM 766 CA HIS B 1 17.496 -24.097 9.092 1.00 10.00 C ATOM 767 C HIS B 1 16.146 -24.522 8.508 1.00 10.00 C ATOM 768 O HIS B 1 16.023 -25.567 7.900 1.00 10.00 O ATOM 769 CB HIS B 1 18.170 -23.064 8.188 1.00 10.00 C ATOM 770 CG HIS B 1 19.474 -22.637 8.802 1.00 10.00 C ATOM 771 ND1 HIS B 1 20.510 -22.113 8.046 1.00 10.00 N ATOM 772 CD2 HIS B 1 19.925 -22.651 10.099 1.00 10.00 C ATOM 773 CE1 HIS B 1 21.525 -21.837 8.886 1.00 10.00 C ATOM 774 NE2 HIS B 1 21.220 -22.144 10.149 1.00 10.00 N ATOM 0 H1 HIS B 1 18.993 -25.231 9.995 1.00 10.00 H new ATOM 0 H2 HIS B 1 17.891 -26.143 9.081 1.00 10.00 H new ATOM 0 H3 HIS B 1 19.072 -25.207 8.299 1.00 10.00 H new ATOM 0 HA HIS B 1 17.300 -23.701 10.088 1.00 10.00 H new ATOM 0 HB2 HIS B 1 18.343 -23.488 7.199 1.00 10.00 H new ATOM 0 HB3 HIS B 1 17.518 -22.201 8.055 1.00 10.00 H new ATOM 0 HD2 HIS B 1 19.361 -23.002 10.950 1.00 10.00 H new ATOM 0 HE1 HIS B 1 22.471 -21.418 8.576 1.00 10.00 H new ATOM 0 HE2 HIS B 1 21.810 -22.031 10.974 1.00 10.00 H new ATOM 784 N MET B 2 15.131 -23.721 8.687 1.00 10.00 N ATOM 785 CA MET B 2 13.792 -24.081 8.141 1.00 10.00 C ATOM 786 C MET B 2 13.455 -23.195 6.939 1.00 10.00 C ATOM 787 O MET B 2 12.454 -22.507 6.924 1.00 10.00 O ATOM 788 CB MET B 2 12.814 -23.823 9.288 1.00 10.00 C ATOM 789 CG MET B 2 12.619 -25.110 10.092 1.00 10.00 C ATOM 790 SD MET B 2 11.533 -26.233 9.179 1.00 10.00 S ATOM 791 CE MET B 2 10.037 -25.943 10.154 1.00 10.00 C ATOM 0 H MET B 2 15.171 -22.833 9.188 1.00 10.00 H new ATOM 0 HA MET B 2 13.751 -25.114 7.795 1.00 10.00 H new ATOM 0 HB2 MET B 2 13.195 -23.032 9.934 1.00 10.00 H new ATOM 0 HB3 MET B 2 11.858 -23.479 8.894 1.00 10.00 H new ATOM 0 HG2 MET B 2 13.582 -25.587 10.275 1.00 10.00 H new ATOM 0 HG3 MET B 2 12.187 -24.881 11.066 1.00 10.00 H new ATOM 0 HE1 MET B 2 9.222 -26.548 9.758 1.00 10.00 H new ATOM 0 HE2 MET B 2 10.221 -26.217 11.193 1.00 10.00 H new ATOM 0 HE3 MET B 2 9.766 -24.889 10.100 1.00 10.00 H new ATOM 801 N GLY B 3 14.285 -23.204 5.931 1.00 10.00 N ATOM 802 CA GLY B 3 14.012 -22.360 4.733 1.00 10.00 C ATOM 803 C GLY B 3 13.156 -23.147 3.736 1.00 10.00 C ATOM 804 O GLY B 3 13.517 -24.226 3.311 1.00 10.00 O ATOM 0 H GLY B 3 15.140 -23.759 5.886 1.00 10.00 H new ATOM 0 HA2 GLY B 3 13.497 -21.446 5.029 1.00 10.00 H new ATOM 0 HA3 GLY B 3 14.950 -22.060 4.265 1.00 10.00 H new ATOM 808 N HIS B 4 12.024 -22.616 3.360 1.00 10.00 N ATOM 809 CA HIS B 4 11.149 -23.334 2.389 1.00 10.00 C ATOM 810 C HIS B 4 11.066 -22.551 1.076 1.00 10.00 C ATOM 811 O HIS B 4 12.020 -21.928 0.653 1.00 10.00 O ATOM 812 CB HIS B 4 9.778 -23.398 3.063 1.00 10.00 C ATOM 813 CG HIS B 4 9.935 -23.898 4.473 1.00 10.00 C ATOM 814 ND1 HIS B 4 9.137 -23.444 5.511 1.00 10.00 N ATOM 815 CD2 HIS B 4 10.792 -24.814 5.030 1.00 10.00 C ATOM 816 CE1 HIS B 4 9.527 -24.081 6.630 1.00 10.00 C ATOM 817 NE2 HIS B 4 10.533 -24.928 6.392 1.00 10.00 N ATOM 0 H HIS B 4 11.667 -21.717 3.683 1.00 10.00 H new ATOM 0 HA HIS B 4 11.529 -24.326 2.145 1.00 10.00 H new ATOM 0 HB2 HIS B 4 9.316 -22.411 3.065 1.00 10.00 H new ATOM 0 HB3 HIS B 4 9.116 -24.059 2.503 1.00 10.00 H new ATOM 0 HD2 HIS B 4 11.552 -25.363 4.493 1.00 10.00 H new ATOM 0 HE1 HIS B 4 9.082 -23.927 7.602 1.00 10.00 H new ATOM 0 HE2 HIS B 4 11.009 -25.529 7.065 1.00 10.00 H new ATOM 825 N ILE B 5 9.934 -22.576 0.428 1.00 10.00 N ATOM 826 CA ILE B 5 9.797 -21.829 -0.854 1.00 10.00 C ATOM 827 C ILE B 5 8.459 -21.081 -0.885 1.00 10.00 C ATOM 828 O ILE B 5 7.404 -21.667 -1.018 1.00 10.00 O ATOM 829 CB ILE B 5 9.878 -22.902 -1.950 1.00 10.00 C ATOM 830 CG1 ILE B 5 10.784 -22.402 -3.078 1.00 10.00 C ATOM 831 CG2 ILE B 5 8.487 -23.206 -2.514 1.00 10.00 C ATOM 832 CD1 ILE B 5 10.274 -21.051 -3.586 1.00 10.00 C ATOM 0 H ILE B 5 9.100 -23.080 0.730 1.00 10.00 H new ATOM 0 HA ILE B 5 10.570 -21.073 -0.988 1.00 10.00 H new ATOM 0 HB ILE B 5 10.286 -23.816 -1.517 1.00 10.00 H new ATOM 0 HG12 ILE B 5 11.808 -22.304 -2.719 1.00 10.00 H new ATOM 0 HG13 ILE B 5 10.800 -23.126 -3.893 1.00 10.00 H new ATOM 0 HG21 ILE B 5 8.567 -23.968 -3.289 1.00 10.00 H new ATOM 0 HG22 ILE B 5 7.841 -23.568 -1.714 1.00 10.00 H new ATOM 0 HG23 ILE B 5 8.061 -22.298 -2.941 1.00 10.00 H new ATOM 0 HD11 ILE B 5 10.920 -20.697 -4.389 1.00 10.00 H new ATOM 0 HD12 ILE B 5 9.257 -21.164 -3.962 1.00 10.00 H new ATOM 0 HD13 ILE B 5 10.281 -20.329 -2.769 1.00 10.00 H new ATOM 844 N GLN B 6 8.501 -19.784 -0.753 1.00 10.00 N ATOM 845 CA GLN B 6 7.240 -18.989 -0.767 1.00 10.00 C ATOM 846 C GLN B 6 7.560 -17.503 -0.587 1.00 10.00 C ATOM 847 O GLN B 6 8.497 -17.143 0.099 1.00 10.00 O ATOM 848 CB GLN B 6 6.427 -19.509 0.420 1.00 10.00 C ATOM 849 CG GLN B 6 5.055 -18.834 0.434 1.00 10.00 C ATOM 850 CD GLN B 6 3.958 -19.897 0.321 1.00 10.00 C ATOM 851 OE1 GLN B 6 4.121 -21.052 0.907 1.00 10.00 O flip ATOM 852 NE2 GLN B 6 2.942 -19.674 -0.307 1.00 10.00 N flip ATOM 0 H GLN B 6 9.355 -19.239 -0.636 1.00 10.00 H new ATOM 0 HA GLN B 6 6.696 -19.090 -1.706 1.00 10.00 H new ATOM 0 HB2 GLN B 6 6.311 -20.591 0.349 1.00 10.00 H new ATOM 0 HB3 GLN B 6 6.954 -19.305 1.352 1.00 10.00 H new ATOM 0 HG2 GLN B 6 4.929 -18.263 1.354 1.00 10.00 H new ATOM 0 HG3 GLN B 6 4.978 -18.128 -0.393 1.00 10.00 H new ATOM 0 HE21 GLN B 6 2.813 -18.772 -0.765 1.00 10.00 H new ATOM 0 HE22 GLN B 6 2.218 -20.389 -0.376 1.00 10.00 H new ATOM 861 N ILE B 7 6.792 -16.640 -1.195 1.00 10.00 N ATOM 862 CA ILE B 7 7.056 -15.177 -1.053 1.00 10.00 C ATOM 863 C ILE B 7 7.514 -14.856 0.374 1.00 10.00 C ATOM 864 O ILE B 7 6.908 -15.287 1.335 1.00 10.00 O ATOM 865 CB ILE B 7 5.724 -14.498 -1.374 1.00 10.00 C ATOM 866 CG1 ILE B 7 4.717 -14.796 -0.266 1.00 10.00 C ATOM 867 CG2 ILE B 7 5.187 -15.021 -2.707 1.00 10.00 C ATOM 868 CD1 ILE B 7 4.968 -13.839 0.893 1.00 10.00 C ATOM 0 H ILE B 7 5.995 -16.883 -1.783 1.00 10.00 H new ATOM 0 HA ILE B 7 7.849 -14.832 -1.716 1.00 10.00 H new ATOM 0 HB ILE B 7 5.877 -13.421 -1.444 1.00 10.00 H new ATOM 0 HG12 ILE B 7 3.699 -14.679 -0.639 1.00 10.00 H new ATOM 0 HG13 ILE B 7 4.817 -15.829 0.068 1.00 10.00 H new ATOM 0 HG21 ILE B 7 4.238 -14.535 -2.933 1.00 10.00 H new ATOM 0 HG22 ILE B 7 5.904 -14.803 -3.499 1.00 10.00 H new ATOM 0 HG23 ILE B 7 5.036 -16.099 -2.641 1.00 10.00 H new ATOM 0 HD11 ILE B 7 4.255 -14.041 1.692 1.00 10.00 H new ATOM 0 HD12 ILE B 7 5.982 -13.979 1.267 1.00 10.00 H new ATOM 0 HD13 ILE B 7 4.847 -12.812 0.549 1.00 10.00 H new ATOM 880 N PRO B 8 8.588 -14.116 0.460 1.00 10.00 N ATOM 881 CA PRO B 8 9.152 -13.736 1.776 1.00 10.00 C ATOM 882 C PRO B 8 8.311 -12.638 2.433 1.00 10.00 C ATOM 883 O PRO B 8 8.289 -11.514 1.973 1.00 10.00 O ATOM 884 CB PRO B 8 10.540 -13.217 1.439 1.00 10.00 C ATOM 885 CG PRO B 8 10.449 -12.762 0.024 1.00 10.00 C ATOM 886 CD PRO B 8 9.372 -13.573 -0.651 1.00 10.00 C ATOM 0 HA PRO B 8 9.169 -14.567 2.481 1.00 10.00 H new ATOM 0 HB2 PRO B 8 10.826 -12.398 2.099 1.00 10.00 H new ATOM 0 HB3 PRO B 8 11.292 -13.997 1.555 1.00 10.00 H new ATOM 0 HG2 PRO B 8 10.212 -11.699 -0.021 1.00 10.00 H new ATOM 0 HG3 PRO B 8 11.404 -12.898 -0.483 1.00 10.00 H new ATOM 0 HD2 PRO B 8 8.759 -12.955 -1.307 1.00 10.00 H new ATOM 0 HD3 PRO B 8 9.796 -14.367 -1.266 1.00 10.00 H new ATOM 894 N PRO B 9 7.648 -13.004 3.495 1.00 10.00 N ATOM 895 CA PRO B 9 6.798 -12.039 4.232 1.00 10.00 C ATOM 896 C PRO B 9 7.672 -11.063 5.026 1.00 10.00 C ATOM 897 O PRO B 9 8.884 -11.113 4.970 1.00 10.00 O ATOM 898 CB PRO B 9 5.983 -12.924 5.170 1.00 10.00 C ATOM 899 CG PRO B 9 6.808 -14.159 5.356 1.00 10.00 C ATOM 900 CD PRO B 9 7.629 -14.339 4.103 1.00 10.00 C ATOM 0 HA PRO B 9 6.173 -11.430 3.580 1.00 10.00 H new ATOM 0 HB2 PRO B 9 5.799 -12.426 6.122 1.00 10.00 H new ATOM 0 HB3 PRO B 9 5.009 -13.161 4.741 1.00 10.00 H new ATOM 0 HG2 PRO B 9 7.454 -14.063 6.229 1.00 10.00 H new ATOM 0 HG3 PRO B 9 6.170 -15.026 5.526 1.00 10.00 H new ATOM 0 HD2 PRO B 9 8.636 -14.687 4.332 1.00 10.00 H new ATOM 0 HD3 PRO B 9 7.182 -15.075 3.435 1.00 10.00 H new ATOM 908 N GLY B 10 7.065 -10.176 5.767 1.00 10.00 N ATOM 909 CA GLY B 10 7.863 -9.201 6.562 1.00 10.00 C ATOM 910 C GLY B 10 8.425 -8.121 5.635 1.00 10.00 C ATOM 911 O GLY B 10 9.268 -7.336 6.022 1.00 10.00 O ATOM 0 H GLY B 10 6.053 -10.085 5.856 1.00 10.00 H new ATOM 0 HA2 GLY B 10 7.239 -8.746 7.331 1.00 10.00 H new ATOM 0 HA3 GLY B 10 8.677 -9.714 7.075 1.00 10.00 H new ATOM 915 N LEU B 11 7.965 -8.074 4.415 1.00 10.00 N ATOM 916 CA LEU B 11 8.474 -7.043 3.466 1.00 10.00 C ATOM 917 C LEU B 11 7.882 -5.673 3.809 1.00 10.00 C ATOM 918 O LEU B 11 8.464 -4.645 3.524 1.00 10.00 O ATOM 919 CB LEU B 11 7.998 -7.503 2.087 1.00 10.00 C ATOM 920 CG LEU B 11 9.207 -7.858 1.222 1.00 10.00 C ATOM 921 CD1 LEU B 11 8.921 -9.146 0.448 1.00 10.00 C ATOM 922 CD2 LEU B 11 9.477 -6.721 0.234 1.00 10.00 C ATOM 0 H LEU B 11 7.259 -8.704 4.034 1.00 10.00 H new ATOM 0 HA LEU B 11 9.558 -6.941 3.509 1.00 10.00 H new ATOM 0 HB2 LEU B 11 7.342 -8.368 2.187 1.00 10.00 H new ATOM 0 HB3 LEU B 11 7.415 -6.715 1.610 1.00 10.00 H new ATOM 0 HG LEU B 11 10.079 -8.003 1.859 1.00 10.00 H new ATOM 0 HD11 LEU B 11 9.783 -9.399 -0.169 1.00 10.00 H new ATOM 0 HD12 LEU B 11 8.727 -9.957 1.150 1.00 10.00 H new ATOM 0 HD13 LEU B 11 8.049 -9.001 -0.190 1.00 10.00 H new ATOM 0 HD21 LEU B 11 10.339 -6.973 -0.384 1.00 10.00 H new ATOM 0 HD22 LEU B 11 8.604 -6.577 -0.403 1.00 10.00 H new ATOM 0 HD23 LEU B 11 9.680 -5.802 0.784 1.00 10.00 H new ATOM 934 N THR B 12 6.728 -5.654 4.416 1.00 10.00 N ATOM 935 CA THR B 12 6.094 -4.353 4.777 1.00 10.00 C ATOM 936 C THR B 12 6.982 -3.579 5.752 1.00 10.00 C ATOM 937 O THR B 12 7.497 -2.524 5.437 1.00 10.00 O ATOM 938 CB THR B 12 4.768 -4.733 5.440 1.00 10.00 C ATOM 939 OG1 THR B 12 3.801 -5.007 4.436 1.00 10.00 O ATOM 940 CG2 THR B 12 4.280 -3.579 6.317 1.00 10.00 C ATOM 0 H THR B 12 6.195 -6.483 4.678 1.00 10.00 H new ATOM 0 HA THR B 12 5.948 -3.710 3.909 1.00 10.00 H new ATOM 0 HB THR B 12 4.914 -5.618 6.059 1.00 10.00 H new ATOM 0 HG1 THR B 12 2.951 -5.252 4.858 1.00 10.00 H new ATOM 0 HG21 THR B 12 3.336 -3.853 6.787 1.00 10.00 H new ATOM 0 HG22 THR B 12 5.022 -3.369 7.088 1.00 10.00 H new ATOM 0 HG23 THR B 12 4.134 -2.691 5.702 1.00 10.00 H new ATOM 948 N GLU B 13 7.153 -4.095 6.934 1.00 10.00 N ATOM 949 CA GLU B 13 8.001 -3.400 7.948 1.00 10.00 C ATOM 950 C GLU B 13 9.189 -2.708 7.273 1.00 10.00 C ATOM 951 O GLU B 13 9.473 -1.554 7.531 1.00 10.00 O ATOM 952 CB GLU B 13 8.485 -4.506 8.887 1.00 10.00 C ATOM 953 CG GLU B 13 9.030 -5.678 8.068 1.00 10.00 C ATOM 954 CD GLU B 13 8.820 -6.982 8.839 1.00 10.00 C ATOM 955 OE1 GLU B 13 7.871 -7.048 9.604 1.00 10.00 O ATOM 956 OE2 GLU B 13 9.611 -7.892 8.654 1.00 10.00 O ATOM 0 H GLU B 13 6.741 -4.974 7.247 1.00 10.00 H new ATOM 0 HA GLU B 13 7.449 -2.625 8.480 1.00 10.00 H new ATOM 0 HB2 GLU B 13 9.261 -4.121 9.549 1.00 10.00 H new ATOM 0 HB3 GLU B 13 7.664 -4.843 9.520 1.00 10.00 H new ATOM 0 HG2 GLU B 13 8.524 -5.728 7.104 1.00 10.00 H new ATOM 0 HG3 GLU B 13 10.091 -5.531 7.864 1.00 10.00 H new ATOM 963 N LEU B 14 9.886 -3.397 6.413 1.00 10.00 N ATOM 964 CA LEU B 14 11.053 -2.768 5.730 1.00 10.00 C ATOM 965 C LEU B 14 10.613 -1.498 4.997 1.00 10.00 C ATOM 966 O LEU B 14 11.068 -0.411 5.292 1.00 10.00 O ATOM 967 CB LEU B 14 11.549 -3.815 4.728 1.00 10.00 C ATOM 968 CG LEU B 14 12.185 -5.004 5.463 1.00 10.00 C ATOM 969 CD1 LEU B 14 13.404 -5.489 4.676 1.00 10.00 C ATOM 970 CD2 LEU B 14 12.630 -4.586 6.868 1.00 10.00 C ATOM 0 H LEU B 14 9.700 -4.366 6.153 1.00 10.00 H new ATOM 0 HA LEU B 14 11.833 -2.480 6.435 1.00 10.00 H new ATOM 0 HB2 LEU B 14 10.718 -4.162 4.114 1.00 10.00 H new ATOM 0 HB3 LEU B 14 12.277 -3.365 4.053 1.00 10.00 H new ATOM 0 HG LEU B 14 11.448 -5.803 5.546 1.00 10.00 H new ATOM 0 HD11 LEU B 14 13.859 -6.333 5.194 1.00 10.00 H new ATOM 0 HD12 LEU B 14 13.093 -5.800 3.679 1.00 10.00 H new ATOM 0 HD13 LEU B 14 14.130 -4.680 4.594 1.00 10.00 H new ATOM 0 HD21 LEU B 14 13.079 -5.439 7.376 1.00 10.00 H new ATOM 0 HD22 LEU B 14 13.362 -3.782 6.794 1.00 10.00 H new ATOM 0 HD23 LEU B 14 11.766 -4.239 7.435 1.00 10.00 H new ATOM 982 N LEU B 15 9.732 -1.626 4.044 1.00 10.00 N ATOM 983 CA LEU B 15 9.265 -0.426 3.295 1.00 10.00 C ATOM 984 C LEU B 15 8.497 0.511 4.230 1.00 10.00 C ATOM 985 O LEU B 15 8.836 1.668 4.381 1.00 10.00 O ATOM 986 CB LEU B 15 8.346 -0.967 2.200 1.00 10.00 C ATOM 987 CG LEU B 15 9.024 -2.143 1.490 1.00 10.00 C ATOM 988 CD1 LEU B 15 8.273 -2.458 0.196 1.00 10.00 C ATOM 989 CD2 LEU B 15 10.473 -1.776 1.160 1.00 10.00 C ATOM 0 H LEU B 15 9.315 -2.510 3.751 1.00 10.00 H new ATOM 0 HA LEU B 15 10.093 0.148 2.878 1.00 10.00 H new ATOM 0 HB2 LEU B 15 7.399 -1.289 2.633 1.00 10.00 H new ATOM 0 HB3 LEU B 15 8.117 -0.179 1.482 1.00 10.00 H new ATOM 0 HG LEU B 15 9.010 -3.016 2.142 1.00 10.00 H new ATOM 0 HD11 LEU B 15 8.755 -3.295 -0.310 1.00 10.00 H new ATOM 0 HD12 LEU B 15 7.241 -2.720 0.429 1.00 10.00 H new ATOM 0 HD13 LEU B 15 8.287 -1.584 -0.455 1.00 10.00 H new ATOM 0 HD21 LEU B 15 10.954 -2.613 0.655 1.00 10.00 H new ATOM 0 HD22 LEU B 15 10.488 -0.902 0.509 1.00 10.00 H new ATOM 0 HD23 LEU B 15 11.010 -1.551 2.081 1.00 10.00 H new ATOM 1001 N GLN B 16 7.465 0.020 4.863 1.00 10.00 N ATOM 1002 CA GLN B 16 6.685 0.888 5.791 1.00 10.00 C ATOM 1003 C GLN B 16 7.638 1.743 6.627 1.00 10.00 C ATOM 1004 O GLN B 16 7.576 2.957 6.610 1.00 10.00 O ATOM 1005 CB GLN B 16 5.907 -0.079 6.682 1.00 10.00 C ATOM 1006 CG GLN B 16 4.470 0.417 6.840 1.00 10.00 C ATOM 1007 CD GLN B 16 3.767 -0.387 7.936 1.00 10.00 C ATOM 1008 OE1 GLN B 16 4.212 -0.414 9.067 1.00 10.00 O ATOM 1009 NE2 GLN B 16 2.681 -1.047 7.648 1.00 10.00 N ATOM 0 H GLN B 16 7.130 -0.940 4.778 1.00 10.00 H new ATOM 0 HA GLN B 16 6.021 1.572 5.262 1.00 10.00 H new ATOM 0 HB2 GLN B 16 5.912 -1.077 6.245 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.386 -0.156 7.658 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.466 1.477 7.094 1.00 10.00 H new ATOM 0 HG3 GLN B 16 3.933 0.313 5.897 1.00 10.00 H new ATOM 0 HE21 GLN B 16 2.307 -1.025 6.699 1.00 10.00 H new ATOM 0 HE22 GLN B 16 2.205 -1.586 8.371 1.00 10.00 H new ATOM 1018 N GLY B 17 8.527 1.121 7.353 1.00 10.00 N ATOM 1019 CA GLY B 17 9.487 1.905 8.177 1.00 10.00 C ATOM 1020 C GLY B 17 10.065 3.032 7.323 1.00 10.00 C ATOM 1021 O GLY B 17 10.071 4.182 7.715 1.00 10.00 O ATOM 0 H GLY B 17 8.629 0.108 7.410 1.00 10.00 H new ATOM 0 HA2 GLY B 17 8.985 2.315 9.053 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.286 1.260 8.541 1.00 10.00 H new ATOM 1025 N TYR B 18 10.542 2.709 6.152 1.00 10.00 N ATOM 1026 CA TYR B 18 11.112 3.759 5.263 1.00 10.00 C ATOM 1027 C TYR B 18 10.224 5.005 5.294 1.00 10.00 C ATOM 1028 O TYR B 18 10.637 6.065 5.717 1.00 10.00 O ATOM 1029 CB TYR B 18 11.110 3.137 3.868 1.00 10.00 C ATOM 1030 CG TYR B 18 12.354 3.564 3.129 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.602 3.468 3.754 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.259 4.057 1.823 1.00 10.00 C ATOM 1033 CE1 TYR B 18 14.758 3.867 3.071 1.00 10.00 C ATOM 1034 CE2 TYR B 18 13.414 4.455 1.140 1.00 10.00 C ATOM 1035 CZ TYR B 18 14.664 4.360 1.763 1.00 10.00 C ATOM 1036 OH TYR B 18 15.801 4.753 1.089 1.00 10.00 O ATOM 0 H TYR B 18 10.561 1.762 5.773 1.00 10.00 H new ATOM 0 HA TYR B 18 12.111 4.068 5.570 1.00 10.00 H new ATOM 0 HB2 TYR B 18 11.072 2.050 3.942 1.00 10.00 H new ATOM 0 HB3 TYR B 18 10.222 3.450 3.319 1.00 10.00 H new ATOM 0 HD1 TYR B 18 13.674 3.087 4.762 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.295 4.130 1.342 1.00 10.00 H new ATOM 0 HE1 TYR B 18 15.722 3.795 3.553 1.00 10.00 H new ATOM 0 HE2 TYR B 18 13.341 4.836 0.132 1.00 10.00 H new ATOM 0 HH TYR B 18 15.549 5.284 0.305 1.00 10.00 H new ATOM 1046 N THR B 19 9.002 4.879 4.853 1.00 10.00 N ATOM 1047 CA THR B 19 8.084 6.051 4.857 1.00 10.00 C ATOM 1048 C THR B 19 8.142 6.765 6.212 1.00 10.00 C ATOM 1049 O THR B 19 7.856 7.939 6.317 1.00 10.00 O ATOM 1050 CB THR B 19 6.691 5.461 4.594 1.00 10.00 C ATOM 1051 OG1 THR B 19 6.129 6.078 3.446 1.00 10.00 O ATOM 1052 CG2 THR B 19 5.774 5.701 5.798 1.00 10.00 C ATOM 0 H THR B 19 8.600 4.014 4.490 1.00 10.00 H new ATOM 0 HA THR B 19 8.351 6.796 4.107 1.00 10.00 H new ATOM 0 HB THR B 19 6.787 4.388 4.431 1.00 10.00 H new ATOM 0 HG1 THR B 19 5.240 5.702 3.275 1.00 10.00 H new ATOM 0 HG21 THR B 19 4.790 5.277 5.596 1.00 10.00 H new ATOM 0 HG22 THR B 19 6.200 5.225 6.681 1.00 10.00 H new ATOM 0 HG23 THR B 19 5.678 6.772 5.975 1.00 10.00 H new ATOM 1060 N VAL B 20 8.510 6.064 7.250 1.00 10.00 N ATOM 1061 CA VAL B 20 8.583 6.708 8.594 1.00 10.00 C ATOM 1062 C VAL B 20 9.976 7.299 8.832 1.00 10.00 C ATOM 1063 O VAL B 20 10.124 8.325 9.467 1.00 10.00 O ATOM 1064 CB VAL B 20 8.301 5.586 9.591 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.110 6.183 10.986 1.00 10.00 C ATOM 1066 CG2 VAL B 20 7.029 4.844 9.175 1.00 10.00 C ATOM 0 H VAL B 20 8.763 5.076 7.227 1.00 10.00 H new ATOM 0 HA VAL B 20 7.872 7.529 8.691 1.00 10.00 H new ATOM 0 HB VAL B 20 9.140 4.890 9.605 1.00 10.00 H new ATOM 0 HG11 VAL B 20 7.909 5.384 11.699 1.00 10.00 H new ATOM 0 HG12 VAL B 20 9.015 6.714 11.282 1.00 10.00 H new ATOM 0 HG13 VAL B 20 7.270 6.878 10.973 1.00 10.00 H new ATOM 0 HG21 VAL B 20 6.826 4.043 9.886 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.190 5.539 9.163 1.00 10.00 H new ATOM 0 HG23 VAL B 20 7.164 4.421 8.180 1.00 10.00 H new ATOM 1076 N GLU B 21 10.997 6.667 8.322 1.00 10.00 N ATOM 1077 CA GLU B 21 12.376 7.212 8.519 1.00 10.00 C ATOM 1078 C GLU B 21 12.549 8.443 7.641 1.00 10.00 C ATOM 1079 O GLU B 21 13.074 9.458 8.054 1.00 10.00 O ATOM 1080 CB GLU B 21 13.356 6.119 8.068 1.00 10.00 C ATOM 1081 CG GLU B 21 12.680 4.756 8.107 1.00 10.00 C ATOM 1082 CD GLU B 21 13.739 3.661 8.249 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.508 3.729 9.193 1.00 10.00 O ATOM 1084 OE2 GLU B 21 13.763 2.774 7.413 1.00 10.00 O ATOM 0 H GLU B 21 10.941 5.804 7.781 1.00 10.00 H new ATOM 0 HA GLU B 21 12.552 7.489 9.558 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.707 6.330 7.058 1.00 10.00 H new ATOM 0 HB3 GLU B 21 14.232 6.117 8.716 1.00 10.00 H new ATOM 0 HG2 GLU B 21 11.980 4.710 8.942 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.101 4.600 7.197 1.00 10.00 H new ATOM 1091 N VAL B 22 12.102 8.347 6.424 1.00 10.00 N ATOM 1092 CA VAL B 22 12.219 9.489 5.486 1.00 10.00 C ATOM 1093 C VAL B 22 11.394 10.675 5.995 1.00 10.00 C ATOM 1094 O VAL B 22 11.892 11.775 6.128 1.00 10.00 O ATOM 1095 CB VAL B 22 11.654 8.956 4.173 1.00 10.00 C ATOM 1096 CG1 VAL B 22 11.922 9.960 3.060 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.334 7.629 3.828 1.00 10.00 C ATOM 0 H VAL B 22 11.656 7.516 6.036 1.00 10.00 H new ATOM 0 HA VAL B 22 13.243 9.847 5.378 1.00 10.00 H new ATOM 0 HB VAL B 22 10.580 8.802 4.277 1.00 10.00 H new ATOM 0 HG11 VAL B 22 11.518 9.579 2.122 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.443 10.909 3.303 1.00 10.00 H new ATOM 0 HG13 VAL B 22 12.997 10.112 2.958 1.00 10.00 H new ATOM 0 HG21 VAL B 22 11.931 7.247 2.890 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.408 7.786 3.725 1.00 10.00 H new ATOM 0 HG23 VAL B 22 12.148 6.907 4.623 1.00 10.00 H new ATOM 1107 N LEU B 23B 10.139 10.460 6.284 1.00 10.00 N ATOM 1108 CA LEU B 23B 9.291 11.579 6.789 1.00 10.00 C ATOM 1109 C LEU B 23B 9.935 12.205 8.027 1.00 10.00 C ATOM 1110 O LEU B 23B 9.723 13.362 8.332 1.00 10.00 O ATOM 1111 CB LEU B 23B 7.952 10.936 7.147 1.00 10.00 C ATOM 1112 CG LEU B 23B 6.814 11.721 6.493 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 6.984 11.699 4.973 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 5.477 11.077 6.864 1.00 10.00 C ATOM 0 H LEU B 23B 9.665 9.561 6.193 1.00 10.00 H new ATOM 0 HA LEU B 23B 9.173 12.374 6.053 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 7.933 9.900 6.810 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 7.822 10.921 8.229 1.00 10.00 H new ATOM 0 HG LEU B 23B 6.834 12.752 6.845 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 6.172 12.259 4.508 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 7.938 12.154 4.707 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 6.963 10.668 4.619 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 4.663 11.634 6.399 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 5.459 10.046 6.510 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 5.354 11.091 7.947 1.00 10.00 H new ATOM 1126 N ARG B 24 10.719 11.447 8.745 1.00 10.00 N ATOM 1127 CA ARG B 24 11.376 12.000 9.964 1.00 10.00 C ATOM 1128 C ARG B 24 12.392 13.079 9.576 1.00 10.00 C ATOM 1129 O ARG B 24 12.869 13.823 10.409 1.00 10.00 O ATOM 1130 CB ARG B 24 12.080 10.806 10.612 1.00 10.00 C ATOM 1131 CG ARG B 24 11.220 10.268 11.758 1.00 10.00 C ATOM 1132 CD ARG B 24 11.638 10.937 13.070 1.00 10.00 C ATOM 1133 NE ARG B 24 10.802 10.287 14.117 1.00 10.00 N ATOM 1134 CZ ARG B 24 9.510 10.185 13.954 1.00 10.00 C ATOM 1135 NH1 ARG B 24 9.019 9.223 13.223 1.00 10.00 N ATOM 1136 NH2 ARG B 24 8.711 11.046 14.521 1.00 10.00 N ATOM 0 H ARG B 24 10.933 10.471 8.541 1.00 10.00 H new ATOM 0 HA ARG B 24 10.662 12.468 10.641 1.00 10.00 H new ATOM 0 HB2 ARG B 24 12.249 10.024 9.872 1.00 10.00 H new ATOM 0 HB3 ARG B 24 13.058 11.107 10.987 1.00 10.00 H new ATOM 0 HG2 ARG B 24 10.166 10.463 11.558 1.00 10.00 H new ATOM 0 HG3 ARG B 24 11.335 9.187 11.836 1.00 10.00 H new ATOM 0 HD2 ARG B 24 12.700 10.791 13.266 1.00 10.00 H new ATOM 0 HD3 ARG B 24 11.464 12.013 13.038 1.00 10.00 H new ATOM 0 HE ARG B 24 11.239 9.921 14.963 1.00 10.00 H new ATOM 0 HH11 ARG B 24 9.644 8.550 12.779 1.00 10.00 H new ATOM 0 HH12 ARG B 24 8.010 9.143 13.096 1.00 10.00 H new ATOM 0 HH21 ARG B 24 9.095 11.799 15.092 1.00 10.00 H new ATOM 0 HH22 ARG B 24 7.702 10.966 14.394 1.00 10.00 H new ATOM 1150 N GLN B 25 12.728 13.168 8.318 1.00 10.00 N ATOM 1151 CA GLN B 25 13.714 14.198 7.882 1.00 10.00 C ATOM 1152 C GLN B 25 13.577 14.483 6.381 1.00 10.00 C ATOM 1153 O GLN B 25 14.443 15.085 5.777 1.00 10.00 O ATOM 1154 CB GLN B 25 15.087 13.594 8.193 1.00 10.00 C ATOM 1155 CG GLN B 25 15.022 12.069 8.064 1.00 10.00 C ATOM 1156 CD GLN B 25 16.416 11.521 7.754 1.00 10.00 C ATOM 1157 OE1 GLN B 25 16.561 10.617 6.956 1.00 10.00 O ATOM 1158 NE2 GLN B 25 17.455 12.035 8.354 1.00 10.00 N ATOM 0 H GLN B 25 12.363 12.573 7.574 1.00 10.00 H new ATOM 0 HA GLN B 25 13.560 15.149 8.393 1.00 10.00 H new ATOM 0 HB2 GLN B 25 15.835 13.995 7.509 1.00 10.00 H new ATOM 0 HB3 GLN B 25 15.397 13.870 9.201 1.00 10.00 H new ATOM 0 HG2 GLN B 25 14.645 11.631 8.989 1.00 10.00 H new ATOM 0 HG3 GLN B 25 14.326 11.790 7.273 1.00 10.00 H new ATOM 0 HE21 GLN B 25 17.333 12.794 9.024 1.00 10.00 H new ATOM 0 HE22 GLN B 25 18.389 11.677 8.153 1.00 10.00 H new ATOM 1167 N GLN B 26 12.495 14.057 5.778 1.00 10.00 N ATOM 1168 CA GLN B 26 12.291 14.300 4.316 1.00 10.00 C ATOM 1169 C GLN B 26 13.635 14.463 3.597 1.00 10.00 C ATOM 1170 O GLN B 26 13.877 15.464 2.952 1.00 10.00 O ATOM 1171 CB GLN B 26 11.483 15.595 4.246 1.00 10.00 C ATOM 1172 CG GLN B 26 10.007 15.290 4.515 1.00 10.00 C ATOM 1173 CD GLN B 26 9.154 16.497 4.123 1.00 10.00 C ATOM 1174 OE1 GLN B 26 9.255 16.995 3.018 1.00 10.00 O ATOM 1175 NE2 GLN B 26 8.310 16.993 4.987 1.00 10.00 N ATOM 0 H GLN B 26 11.740 13.548 6.238 1.00 10.00 H new ATOM 0 HA GLN B 26 11.782 13.468 3.830 1.00 10.00 H new ATOM 0 HB2 GLN B 26 11.857 16.310 4.979 1.00 10.00 H new ATOM 0 HB3 GLN B 26 11.597 16.055 3.265 1.00 10.00 H new ATOM 0 HG2 GLN B 26 9.697 14.413 3.947 1.00 10.00 H new ATOM 0 HG3 GLN B 26 9.860 15.055 5.569 1.00 10.00 H new ATOM 0 HE21 GLN B 26 8.225 16.576 5.914 1.00 10.00 H new ATOM 0 HE22 GLN B 26 7.736 17.798 4.735 1.00 10.00 H new ATOM 1184 N PRO B 27 14.468 13.467 3.741 1.00 10.00 N ATOM 1185 CA PRO B 27 15.807 13.492 3.106 1.00 10.00 C ATOM 1186 C PRO B 27 15.690 13.329 1.587 1.00 10.00 C ATOM 1187 O PRO B 27 15.196 12.330 1.106 1.00 10.00 O ATOM 1188 CB PRO B 27 16.520 12.292 3.724 1.00 10.00 C ATOM 1189 CG PRO B 27 15.422 11.370 4.142 1.00 10.00 C ATOM 1190 CD PRO B 27 14.245 12.237 4.503 1.00 10.00 C ATOM 0 HA PRO B 27 16.336 14.431 3.269 1.00 10.00 H new ATOM 0 HB2 PRO B 27 17.186 11.814 3.005 1.00 10.00 H new ATOM 0 HB3 PRO B 27 17.132 12.591 4.575 1.00 10.00 H new ATOM 0 HG2 PRO B 27 15.164 10.684 3.335 1.00 10.00 H new ATOM 0 HG3 PRO B 27 15.730 10.761 4.992 1.00 10.00 H new ATOM 0 HD2 PRO B 27 13.302 11.764 4.231 1.00 10.00 H new ATOM 0 HD3 PRO B 27 14.206 12.432 5.575 1.00 10.00 H new ATOM 1198 N PRO B 28 16.160 14.322 0.881 1.00 10.00 N ATOM 1199 CA PRO B 28 16.119 14.290 -0.599 1.00 10.00 C ATOM 1200 C PRO B 28 17.105 13.248 -1.137 1.00 10.00 C ATOM 1201 O PRO B 28 17.220 13.043 -2.329 1.00 10.00 O ATOM 1202 CB PRO B 28 16.542 15.701 -1.002 1.00 10.00 C ATOM 1203 CG PRO B 28 17.341 16.203 0.155 1.00 10.00 C ATOM 1204 CD PRO B 28 16.767 15.555 1.387 1.00 10.00 C ATOM 0 HA PRO B 28 15.141 14.016 -0.995 1.00 10.00 H new ATOM 0 HB2 PRO B 28 17.134 15.691 -1.917 1.00 10.00 H new ATOM 0 HB3 PRO B 28 15.676 16.335 -1.190 1.00 10.00 H new ATOM 0 HG2 PRO B 28 18.394 15.948 0.038 1.00 10.00 H new ATOM 0 HG3 PRO B 28 17.282 17.289 0.225 1.00 10.00 H new ATOM 0 HD2 PRO B 28 17.540 15.346 2.127 1.00 10.00 H new ATOM 0 HD3 PRO B 28 16.029 16.196 1.869 1.00 10.00 H new ATOM 1212 N ASP B 29 17.818 12.592 -0.262 1.00 10.00 N ATOM 1213 CA ASP B 29 18.801 11.565 -0.711 1.00 10.00 C ATOM 1214 C ASP B 29 18.214 10.169 -0.551 1.00 10.00 C ATOM 1215 O ASP B 29 18.923 9.200 -0.362 1.00 10.00 O ATOM 1216 CB ASP B 29 19.991 11.740 0.217 1.00 10.00 C ATOM 1217 CG ASP B 29 20.922 12.819 -0.337 1.00 10.00 C ATOM 1218 OD1 ASP B 29 21.763 12.485 -1.155 1.00 10.00 O ATOM 1219 OD2 ASP B 29 20.778 13.962 0.066 1.00 10.00 O ATOM 0 H ASP B 29 17.762 12.724 0.748 1.00 10.00 H new ATOM 0 HA ASP B 29 19.071 11.681 -1.761 1.00 10.00 H new ATOM 0 HB2 ASP B 29 19.649 12.018 1.214 1.00 10.00 H new ATOM 0 HB3 ASP B 29 20.529 10.797 0.316 1.00 10.00 H new ATOM 1224 N LEU B 30 16.926 10.073 -0.622 1.00 10.00 N ATOM 1225 CA LEU B 30 16.250 8.748 -0.476 1.00 10.00 C ATOM 1226 C LEU B 30 17.164 7.627 -0.975 1.00 10.00 C ATOM 1227 O LEU B 30 17.553 6.753 -0.226 1.00 10.00 O ATOM 1228 CB LEU B 30 14.995 8.846 -1.343 1.00 10.00 C ATOM 1229 CG LEU B 30 13.892 7.973 -0.744 1.00 10.00 C ATOM 1230 CD1 LEU B 30 13.124 8.774 0.309 1.00 10.00 C ATOM 1231 CD2 LEU B 30 12.931 7.536 -1.852 1.00 10.00 C ATOM 0 H LEU B 30 16.297 10.861 -0.777 1.00 10.00 H new ATOM 0 HA LEU B 30 16.010 8.520 0.563 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.661 9.882 -1.403 1.00 10.00 H new ATOM 0 HB3 LEU B 30 15.217 8.523 -2.360 1.00 10.00 H new ATOM 0 HG LEU B 30 14.336 7.093 -0.279 1.00 10.00 H new ATOM 0 HD11 LEU B 30 12.337 8.152 0.737 1.00 10.00 H new ATOM 0 HD12 LEU B 30 13.808 9.088 1.098 1.00 10.00 H new ATOM 0 HD13 LEU B 30 12.679 9.654 -0.156 1.00 10.00 H new ATOM 0 HD21 LEU B 30 12.144 6.913 -1.426 1.00 10.00 H new ATOM 0 HD22 LEU B 30 12.486 8.416 -2.316 1.00 10.00 H new ATOM 0 HD23 LEU B 30 13.477 6.967 -2.604 1.00 10.00 H new ATOM 1243 N VAL B 31 17.522 7.652 -2.231 1.00 10.00 N ATOM 1244 CA VAL B 31 18.426 6.593 -2.764 1.00 10.00 C ATOM 1245 C VAL B 31 19.519 6.303 -1.740 1.00 10.00 C ATOM 1246 O VAL B 31 19.568 5.247 -1.143 1.00 10.00 O ATOM 1247 CB VAL B 31 19.041 7.195 -4.026 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.803 6.112 -4.790 1.00 10.00 C ATOM 1249 CG2 VAL B 31 17.928 7.754 -4.912 1.00 10.00 C ATOM 0 H VAL B 31 17.229 8.357 -2.908 1.00 10.00 H new ATOM 0 HA VAL B 31 17.903 5.660 -2.971 1.00 10.00 H new ATOM 0 HB VAL B 31 19.728 7.995 -3.751 1.00 10.00 H new ATOM 0 HG11 VAL B 31 20.242 6.542 -5.690 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.594 5.709 -4.158 1.00 10.00 H new ATOM 0 HG13 VAL B 31 19.117 5.311 -5.067 1.00 10.00 H new ATOM 0 HG21 VAL B 31 18.363 8.185 -5.814 1.00 10.00 H new ATOM 0 HG22 VAL B 31 17.244 6.951 -5.187 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.383 8.525 -4.368 1.00 10.00 H new ATOM 1259 N ASP B 32 20.385 7.251 -1.528 1.00 10.00 N ATOM 1260 CA ASP B 32 21.470 7.063 -0.533 1.00 10.00 C ATOM 1261 C ASP B 32 20.870 6.550 0.774 1.00 10.00 C ATOM 1262 O ASP B 32 21.330 5.579 1.341 1.00 10.00 O ATOM 1263 CB ASP B 32 22.061 8.459 -0.361 1.00 10.00 C ATOM 1264 CG ASP B 32 23.532 8.351 0.044 1.00 10.00 C ATOM 1265 OD1 ASP B 32 23.859 7.432 0.776 1.00 10.00 O ATOM 1266 OD2 ASP B 32 24.308 9.190 -0.387 1.00 10.00 O ATOM 0 H ASP B 32 20.387 8.153 -2.005 1.00 10.00 H new ATOM 0 HA ASP B 32 22.225 6.339 -0.839 1.00 10.00 H new ATOM 0 HB2 ASP B 32 21.970 9.020 -1.291 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.504 9.009 0.398 1.00 10.00 H new ATOM 1271 N PHE B 33 19.827 7.179 1.243 1.00 10.00 N ATOM 1272 CA PHE B 33 19.183 6.705 2.498 1.00 10.00 C ATOM 1273 C PHE B 33 18.942 5.201 2.384 1.00 10.00 C ATOM 1274 O PHE B 33 19.436 4.420 3.172 1.00 10.00 O ATOM 1275 CB PHE B 33 17.854 7.467 2.569 1.00 10.00 C ATOM 1276 CG PHE B 33 17.225 7.307 3.939 1.00 10.00 C ATOM 1277 CD1 PHE B 33 17.464 6.157 4.704 1.00 10.00 C ATOM 1278 CD2 PHE B 33 16.393 8.315 4.440 1.00 10.00 C ATOM 1279 CE1 PHE B 33 16.873 6.018 5.966 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.800 8.176 5.702 1.00 10.00 C ATOM 1281 CZ PHE B 33 16.040 7.027 6.464 1.00 10.00 C ATOM 0 H PHE B 33 19.395 7.997 0.813 1.00 10.00 H new ATOM 0 HA PHE B 33 19.787 6.878 3.388 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.022 8.524 2.360 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.173 7.095 1.804 1.00 10.00 H new ATOM 0 HD1 PHE B 33 18.105 5.377 4.320 1.00 10.00 H new ATOM 0 HD2 PHE B 33 16.208 9.202 3.852 1.00 10.00 H new ATOM 0 HE1 PHE B 33 17.060 5.132 6.555 1.00 10.00 H new ATOM 0 HE2 PHE B 33 15.158 8.955 6.086 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.583 6.919 7.436 1.00 10.00 H new ATOM 1291 N ALA B 34 18.198 4.789 1.394 1.00 10.00 N ATOM 1292 CA ALA B 34 17.936 3.335 1.213 1.00 10.00 C ATOM 1293 C ALA B 34 19.214 2.545 1.487 1.00 10.00 C ATOM 1294 O ALA B 34 19.226 1.614 2.270 1.00 10.00 O ATOM 1295 CB ALA B 34 17.516 3.187 -0.250 1.00 10.00 C ATOM 0 H ALA B 34 17.760 5.398 0.703 1.00 10.00 H new ATOM 0 HA ALA B 34 17.171 2.959 1.892 1.00 10.00 H new ATOM 0 HB1 ALA B 34 17.305 2.139 -0.464 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.622 3.782 -0.434 1.00 10.00 H new ATOM 0 HB3 ALA B 34 18.322 3.534 -0.897 1.00 10.00 H new ATOM 1301 N VAL B 35 20.297 2.911 0.857 1.00 10.00 N ATOM 1302 CA VAL B 35 21.565 2.193 1.089 1.00 10.00 C ATOM 1303 C VAL B 35 22.022 2.408 2.533 1.00 10.00 C ATOM 1304 O VAL B 35 22.223 1.468 3.274 1.00 10.00 O ATOM 1305 CB VAL B 35 22.543 2.828 0.107 1.00 10.00 C ATOM 1306 CG1 VAL B 35 23.753 1.927 -0.032 1.00 10.00 C ATOM 1307 CG2 VAL B 35 21.874 2.983 -1.260 1.00 10.00 C ATOM 0 H VAL B 35 20.350 3.681 0.190 1.00 10.00 H new ATOM 0 HA VAL B 35 21.482 1.116 0.942 1.00 10.00 H new ATOM 0 HB VAL B 35 22.845 3.809 0.475 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.459 2.372 -0.733 1.00 10.00 H new ATOM 0 HG12 VAL B 35 24.232 1.808 0.940 1.00 10.00 H new ATOM 0 HG13 VAL B 35 23.439 0.951 -0.403 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.576 3.437 -1.959 1.00 10.00 H new ATOM 0 HG22 VAL B 35 21.574 2.003 -1.632 1.00 10.00 H new ATOM 0 HG23 VAL B 35 20.994 3.619 -1.164 1.00 10.00 H new ATOM 1317 N GLU B 36 22.179 3.640 2.938 1.00 10.00 N ATOM 1318 CA GLU B 36 22.620 3.919 4.336 1.00 10.00 C ATOM 1319 C GLU B 36 21.939 2.956 5.313 1.00 10.00 C ATOM 1320 O GLU B 36 22.589 2.232 6.041 1.00 10.00 O ATOM 1321 CB GLU B 36 22.176 5.355 4.608 1.00 10.00 C ATOM 1322 CG GLU B 36 23.330 6.313 4.314 1.00 10.00 C ATOM 1323 CD GLU B 36 23.517 7.263 5.497 1.00 10.00 C ATOM 1324 OE1 GLU B 36 22.547 7.894 5.884 1.00 10.00 O ATOM 1325 OE2 GLU B 36 24.627 7.345 5.996 1.00 10.00 O ATOM 0 H GLU B 36 22.021 4.466 2.361 1.00 10.00 H new ATOM 0 HA GLU B 36 23.695 3.789 4.462 1.00 10.00 H new ATOM 0 HB2 GLU B 36 21.316 5.604 3.987 1.00 10.00 H new ATOM 0 HB3 GLU B 36 21.860 5.458 5.646 1.00 10.00 H new ATOM 0 HG2 GLU B 36 24.247 5.751 4.136 1.00 10.00 H new ATOM 0 HG3 GLU B 36 23.123 6.881 3.407 1.00 10.00 H new ATOM 1332 N TYR B 37 20.635 2.947 5.338 1.00 10.00 N ATOM 1333 CA TYR B 37 19.912 2.036 6.270 1.00 10.00 C ATOM 1334 C TYR B 37 20.191 0.573 5.916 1.00 10.00 C ATOM 1335 O TYR B 37 20.960 -0.100 6.574 1.00 10.00 O ATOM 1336 CB TYR B 37 18.431 2.361 6.070 1.00 10.00 C ATOM 1337 CG TYR B 37 17.590 1.316 6.762 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.953 0.855 8.034 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.448 0.806 6.133 1.00 10.00 C ATOM 1340 CE1 TYR B 37 17.173 -0.114 8.677 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.669 -0.164 6.775 1.00 10.00 C ATOM 1342 CZ TYR B 37 16.031 -0.624 8.047 1.00 10.00 C ATOM 1343 OH TYR B 37 15.264 -1.580 8.681 1.00 10.00 O ATOM 0 H TYR B 37 20.038 3.532 4.753 1.00 10.00 H new ATOM 0 HA TYR B 37 20.227 2.174 7.304 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.207 3.349 6.472 1.00 10.00 H new ATOM 0 HB3 TYR B 37 18.194 2.389 5.006 1.00 10.00 H new ATOM 0 HD1 TYR B 37 18.835 1.247 8.519 1.00 10.00 H new ATOM 0 HD2 TYR B 37 16.168 1.161 5.152 1.00 10.00 H new ATOM 0 HE1 TYR B 37 17.452 -0.468 9.658 1.00 10.00 H new ATOM 0 HE2 TYR B 37 14.789 -0.558 6.289 1.00 10.00 H new ATOM 0 HH TYR B 37 14.508 -1.826 8.108 1.00 10.00 H new ATOM 1353 N PHE B 38 19.566 0.075 4.887 1.00 10.00 N ATOM 1354 CA PHE B 38 19.784 -1.347 4.491 1.00 10.00 C ATOM 1355 C PHE B 38 21.268 -1.713 4.587 1.00 10.00 C ATOM 1356 O PHE B 38 21.646 -2.596 5.330 1.00 10.00 O ATOM 1357 CB PHE B 38 19.293 -1.431 3.046 1.00 10.00 C ATOM 1358 CG PHE B 38 17.784 -1.371 3.032 1.00 10.00 C ATOM 1359 CD1 PHE B 38 17.046 -2.168 3.916 1.00 10.00 C ATOM 1360 CD2 PHE B 38 17.123 -0.518 2.140 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.648 -2.111 3.908 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.724 -0.462 2.131 1.00 10.00 C ATOM 1363 CZ PHE B 38 14.987 -1.258 3.016 1.00 10.00 C ATOM 0 H PHE B 38 18.911 0.592 4.300 1.00 10.00 H new ATOM 0 HA PHE B 38 19.255 -2.042 5.142 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.707 -0.611 2.460 1.00 10.00 H new ATOM 0 HB3 PHE B 38 19.637 -2.357 2.585 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.556 -2.826 4.604 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.692 0.097 1.459 1.00 10.00 H new ATOM 0 HE1 PHE B 38 15.079 -2.725 4.590 1.00 10.00 H new ATOM 0 HE2 PHE B 38 15.214 0.195 1.442 1.00 10.00 H new ATOM 0 HZ PHE B 38 13.908 -1.214 3.011 1.00 10.00 H new ATOM 1373 N THR B 39 22.114 -1.047 3.845 1.00 10.00 N ATOM 1374 CA THR B 39 23.571 -1.373 3.908 1.00 10.00 C ATOM 1375 C THR B 39 23.978 -1.647 5.357 1.00 10.00 C ATOM 1376 O THR B 39 24.619 -2.634 5.655 1.00 10.00 O ATOM 1377 CB THR B 39 24.286 -0.133 3.376 1.00 10.00 C ATOM 1378 OG1 THR B 39 24.083 -0.035 1.973 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.783 -0.234 3.672 1.00 10.00 C ATOM 0 H THR B 39 21.862 -0.296 3.202 1.00 10.00 H new ATOM 0 HA THR B 39 23.822 -2.261 3.327 1.00 10.00 H new ATOM 0 HB THR B 39 23.883 0.754 3.864 1.00 10.00 H new ATOM 0 HG1 THR B 39 24.935 -0.170 1.509 1.00 10.00 H new ATOM 0 HG21 THR B 39 26.290 0.653 3.291 1.00 10.00 H new ATOM 0 HG22 THR B 39 25.937 -0.305 4.749 1.00 10.00 H new ATOM 0 HG23 THR B 39 26.191 -1.121 3.188 1.00 10.00 H new ATOM 1387 N ARG B 40 23.599 -0.786 6.262 1.00 10.00 N ATOM 1388 CA ARG B 40 23.955 -1.010 7.691 1.00 10.00 C ATOM 1389 C ARG B 40 23.461 -2.391 8.127 1.00 10.00 C ATOM 1390 O ARG B 40 24.130 -3.102 8.848 1.00 10.00 O ATOM 1391 CB ARG B 40 23.228 0.092 8.461 1.00 10.00 C ATOM 1392 CG ARG B 40 24.074 0.517 9.662 1.00 10.00 C ATOM 1393 CD ARG B 40 24.253 2.037 9.645 1.00 10.00 C ATOM 1394 NE ARG B 40 25.481 2.287 10.451 1.00 10.00 N ATOM 1395 CZ ARG B 40 26.615 1.744 10.100 1.00 10.00 C ATOM 1396 NH1 ARG B 40 26.862 1.504 8.842 1.00 10.00 N ATOM 1397 NH2 ARG B 40 27.502 1.442 11.008 1.00 10.00 N ATOM 0 H ARG B 40 23.060 0.060 6.074 1.00 10.00 H new ATOM 0 HA ARG B 40 25.030 -0.978 7.868 1.00 10.00 H new ATOM 0 HB2 ARG B 40 23.047 0.947 7.809 1.00 10.00 H new ATOM 0 HB3 ARG B 40 22.254 -0.265 8.796 1.00 10.00 H new ATOM 0 HG2 ARG B 40 23.591 0.207 10.589 1.00 10.00 H new ATOM 0 HG3 ARG B 40 25.046 0.025 9.629 1.00 10.00 H new ATOM 0 HD2 ARG B 40 24.366 2.410 8.627 1.00 10.00 H new ATOM 0 HD3 ARG B 40 23.388 2.542 10.076 1.00 10.00 H new ATOM 0 HE ARG B 40 25.436 2.883 11.278 1.00 10.00 H new ATOM 0 HH11 ARG B 40 26.169 1.741 8.132 1.00 10.00 H new ATOM 0 HH12 ARG B 40 27.748 1.080 8.568 1.00 10.00 H new ATOM 0 HH21 ARG B 40 27.309 1.630 11.992 1.00 10.00 H new ATOM 0 HH22 ARG B 40 28.388 1.018 10.734 1.00 10.00 H new ATOM 1411 N LEU B 41 22.296 -2.774 7.680 1.00 10.00 N ATOM 1412 CA LEU B 41 21.755 -4.113 8.052 1.00 10.00 C ATOM 1413 C LEU B 41 22.577 -5.206 7.368 1.00 10.00 C ATOM 1414 O LEU B 41 22.611 -6.337 7.807 1.00 10.00 O ATOM 1415 CB LEU B 41 20.315 -4.117 7.532 1.00 10.00 C ATOM 1416 CG LEU B 41 19.331 -3.778 8.661 1.00 10.00 C ATOM 1417 CD1 LEU B 41 20.051 -3.056 9.804 1.00 10.00 C ATOM 1418 CD2 LEU B 41 18.230 -2.871 8.109 1.00 10.00 C ATOM 0 H LEU B 41 21.695 -2.217 7.073 1.00 10.00 H new ATOM 0 HA LEU B 41 21.797 -4.300 9.125 1.00 10.00 H new ATOM 0 HB2 LEU B 41 20.213 -3.393 6.724 1.00 10.00 H new ATOM 0 HB3 LEU B 41 20.076 -5.096 7.116 1.00 10.00 H new ATOM 0 HG LEU B 41 18.902 -4.704 9.045 1.00 10.00 H new ATOM 0 HD11 LEU B 41 19.337 -2.824 10.595 1.00 10.00 H new ATOM 0 HD12 LEU B 41 20.837 -3.698 10.202 1.00 10.00 H new ATOM 0 HD13 LEU B 41 20.492 -2.132 9.430 1.00 10.00 H new ATOM 0 HD21 LEU B 41 17.527 -2.626 8.905 1.00 10.00 H new ATOM 0 HD22 LEU B 41 18.674 -1.954 7.722 1.00 10.00 H new ATOM 0 HD23 LEU B 41 17.703 -3.386 7.306 1.00 10.00 H new ATOM 1430 N ARG B 42 23.246 -4.873 6.298 1.00 10.00 N ATOM 1431 CA ARG B 42 24.074 -5.892 5.594 1.00 10.00 C ATOM 1432 C ARG B 42 25.307 -6.218 6.439 1.00 10.00 C ATOM 1433 O ARG B 42 25.835 -7.311 6.394 1.00 10.00 O ATOM 1434 CB ARG B 42 24.482 -5.232 4.277 1.00 10.00 C ATOM 1435 CG ARG B 42 23.929 -6.042 3.103 1.00 10.00 C ATOM 1436 CD ARG B 42 25.090 -6.538 2.238 1.00 10.00 C ATOM 1437 NE ARG B 42 25.708 -5.300 1.687 1.00 10.00 N ATOM 1438 CZ ARG B 42 26.223 -5.302 0.488 1.00 10.00 C ATOM 1439 NH1 ARG B 42 25.565 -5.839 -0.503 1.00 10.00 N ATOM 1440 NH2 ARG B 42 27.395 -4.765 0.283 1.00 10.00 N ATOM 0 H ARG B 42 23.255 -3.942 5.882 1.00 10.00 H new ATOM 0 HA ARG B 42 23.539 -6.826 5.425 1.00 10.00 H new ATOM 0 HB2 ARG B 42 24.103 -4.211 4.238 1.00 10.00 H new ATOM 0 HB3 ARG B 42 25.568 -5.171 4.210 1.00 10.00 H new ATOM 0 HG2 ARG B 42 23.348 -6.888 3.471 1.00 10.00 H new ATOM 0 HG3 ARG B 42 23.254 -5.427 2.508 1.00 10.00 H new ATOM 0 HD2 ARG B 42 25.807 -7.110 2.828 1.00 10.00 H new ATOM 0 HD3 ARG B 42 24.738 -7.193 1.441 1.00 10.00 H new ATOM 0 HE ARG B 42 25.729 -4.449 2.248 1.00 10.00 H new ATOM 0 HH11 ARG B 42 24.649 -6.257 -0.340 1.00 10.00 H new ATOM 0 HH12 ARG B 42 25.967 -5.841 -1.440 1.00 10.00 H new ATOM 0 HH21 ARG B 42 27.906 -4.345 1.059 1.00 10.00 H new ATOM 0 HH22 ARG B 42 27.799 -4.765 -0.653 1.00 10.00 H new ATOM 1454 N GLU B 43 25.767 -5.272 7.212 1.00 10.00 N ATOM 1455 CA GLU B 43 26.964 -5.518 8.068 1.00 10.00 C ATOM 1456 C GLU B 43 26.605 -6.474 9.209 1.00 10.00 C ATOM 1457 O GLU B 43 27.468 -7.035 9.856 1.00 10.00 O ATOM 1458 CB GLU B 43 27.347 -4.145 8.621 1.00 10.00 C ATOM 1459 CG GLU B 43 28.019 -3.320 7.523 1.00 10.00 C ATOM 1460 CD GLU B 43 29.381 -3.932 7.185 1.00 10.00 C ATOM 1461 OE1 GLU B 43 30.319 -3.687 7.926 1.00 10.00 O ATOM 1462 OE2 GLU B 43 29.462 -4.635 6.191 1.00 10.00 O ATOM 0 H GLU B 43 25.365 -4.338 7.288 1.00 10.00 H new ATOM 0 HA GLU B 43 27.783 -5.975 7.513 1.00 10.00 H new ATOM 0 HB2 GLU B 43 26.460 -3.628 8.987 1.00 10.00 H new ATOM 0 HB3 GLU B 43 28.022 -4.259 9.469 1.00 10.00 H new ATOM 0 HG2 GLU B 43 27.389 -3.296 6.634 1.00 10.00 H new ATOM 0 HG3 GLU B 43 28.144 -2.289 7.853 1.00 10.00 H new ATOM 1469 N ALA B 44 25.338 -6.664 9.460 1.00 10.00 N ATOM 1470 CA ALA B 44 24.926 -7.584 10.560 1.00 10.00 C ATOM 1471 C ALA B 44 25.786 -8.840 10.549 1.00 10.00 C ATOM 1472 O ALA B 44 26.705 -8.986 11.329 1.00 10.00 O ATOM 1473 CB ALA B 44 23.481 -7.969 10.250 1.00 10.00 C ATOM 0 H ALA B 44 24.571 -6.223 8.952 1.00 10.00 H new ATOM 0 HA ALA B 44 25.034 -7.110 11.535 1.00 10.00 H new ATOM 0 HB1 ALA B 44 23.112 -8.646 11.020 1.00 10.00 H new ATOM 0 HB2 ALA B 44 22.862 -7.072 10.229 1.00 10.00 H new ATOM 0 HB3 ALA B 44 23.436 -8.464 9.280 1.00 10.00 H new ATOM 1479 N ARG B 45 25.468 -9.750 9.668 1.00 10.00 N ATOM 1480 CA ARG B 45 26.224 -11.028 9.574 1.00 10.00 C ATOM 1481 C ARG B 45 27.084 -11.242 10.822 1.00 10.00 C ATOM 1482 O ARG B 45 28.192 -10.751 10.915 1.00 10.00 O ATOM 1483 CB ARG B 45 27.098 -10.887 8.327 1.00 10.00 C ATOM 1484 CG ARG B 45 26.365 -11.478 7.120 1.00 10.00 C ATOM 1485 CD ARG B 45 27.070 -12.761 6.670 1.00 10.00 C ATOM 1486 NE ARG B 45 26.989 -12.742 5.183 1.00 10.00 N ATOM 1487 CZ ARG B 45 28.073 -12.591 4.470 1.00 10.00 C ATOM 1488 NH1 ARG B 45 28.952 -13.554 4.406 1.00 10.00 N ATOM 1489 NH2 ARG B 45 28.277 -11.477 3.822 1.00 10.00 N ATOM 0 H ARG B 45 24.703 -9.658 8.999 1.00 10.00 H new ATOM 0 HA ARG B 45 25.560 -11.890 9.507 1.00 10.00 H new ATOM 0 HB2 ARG B 45 27.328 -9.837 8.148 1.00 10.00 H new ATOM 0 HB3 ARG B 45 28.048 -11.400 8.476 1.00 10.00 H new ATOM 0 HG2 ARG B 45 25.328 -11.692 7.380 1.00 10.00 H new ATOM 0 HG3 ARG B 45 26.346 -10.756 6.304 1.00 10.00 H new ATOM 0 HD2 ARG B 45 28.106 -12.782 7.009 1.00 10.00 H new ATOM 0 HD3 ARG B 45 26.582 -13.645 7.081 1.00 10.00 H new ATOM 0 HE ARG B 45 26.086 -12.847 4.721 1.00 10.00 H new ATOM 0 HH11 ARG B 45 28.792 -14.425 4.913 1.00 10.00 H new ATOM 0 HH12 ARG B 45 29.798 -13.436 3.849 1.00 10.00 H new ATOM 0 HH21 ARG B 45 27.590 -10.725 3.872 1.00 10.00 H new ATOM 0 HH22 ARG B 45 29.123 -11.359 3.265 1.00 10.00 H new ATOM 1503 N ARG B 46 26.579 -11.960 11.786 1.00 10.00 N ATOM 1504 CA ARG B 46 27.365 -12.192 13.030 1.00 10.00 C ATOM 1505 C ARG B 46 27.673 -10.853 13.708 1.00 10.00 C ATOM 1506 O ARG B 46 28.600 -10.191 13.271 1.00 10.00 O ATOM 1507 CB ARG B 46 28.654 -12.879 12.566 1.00 10.00 C ATOM 1508 CG ARG B 46 29.809 -12.488 13.491 1.00 10.00 C ATOM 1509 CD ARG B 46 30.713 -13.701 13.728 1.00 10.00 C ATOM 1510 NE ARG B 46 31.325 -13.477 15.071 1.00 10.00 N ATOM 1511 CZ ARG B 46 31.619 -12.267 15.467 1.00 10.00 C ATOM 1512 NH1 ARG B 46 32.783 -11.752 15.182 1.00 10.00 N ATOM 1513 NH2 ARG B 46 30.748 -11.573 16.149 1.00 10.00 N ATOM 1514 OXT ARG B 46 26.978 -10.514 14.650 1.00 10.00 O ATOM 0 H ARG B 46 25.657 -12.396 11.767 1.00 10.00 H new ATOM 0 HA ARG B 46 26.827 -12.800 13.757 1.00 10.00 H new ATOM 0 HB2 ARG B 46 28.522 -13.961 12.570 1.00 10.00 H new ATOM 0 HB3 ARG B 46 28.883 -12.590 11.540 1.00 10.00 H new ATOM 0 HG2 ARG B 46 30.384 -11.675 13.047 1.00 10.00 H new ATOM 0 HG3 ARG B 46 29.419 -12.122 14.441 1.00 10.00 H new ATOM 0 HD2 ARG B 46 30.141 -14.629 13.706 1.00 10.00 H new ATOM 0 HD3 ARG B 46 31.478 -13.779 12.955 1.00 10.00 H new ATOM 0 HE ARG B 46 31.514 -14.272 15.682 1.00 10.00 H new ATOM 0 HH11 ARG B 46 33.464 -12.294 14.650 1.00 10.00 H new ATOM 0 HH12 ARG B 46 33.012 -10.807 15.491 1.00 10.00 H new ATOM 0 HH21 ARG B 46 29.838 -11.975 16.373 1.00 10.00 H new ATOM 0 HH22 ARG B 46 30.978 -10.628 16.458 1.00 10.00 H new TER 1528 ARG B 46