USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 596 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 33 GLN : amide:sc= -1.75 K(o=-2.2,f=-3.4!) USER MOD Set 1.2: B 113 SER OG : rot 59:sc= -0.414! USER MOD Set 2.1: A 14 TYR OH : rot 120:sc= -0.54! USER MOD Set 2.2: A 15 GLN : amide:sc= -0.936 K(o=-0.51,f=-21!) USER MOD Set 2.3: A 18 LYS NZ :NH3+ 156:sc= 0.966! (180deg=0.234) USER MOD Set 3.1: A 3 GLN : amide:sc= -0.908 K(o=-2.9,f=-3.8) USER MOD Set 3.2: B 114 TYR OH : rot 0:sc= -1.97! USER MOD Set 3.3: B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 2 LYS NZ :NH3+ -115:sc= 1.11! (180deg=-0.291!) USER MOD Set 4.2: B 111 SER OG : rot -172:sc= 1.12 USER MOD Single : A 6 THR OG1 : rot -120:sc= -3.33! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0991 USER MOD Single : A 11 SER OG : rot 67:sc= 1.24 USER MOD Single : A 13 SER OG : rot 120:sc= -0.0973 USER MOD Single : A 20 TYR OH : rot -129:sc= 0.645 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 25 SER OG : rot 180:sc= -0.723! USER MOD Single : A 29 SER OG : rot 60:sc= -0.865 USER MOD Single : A 30 THR OG1 : rot 53:sc= 1.18 USER MOD Single : A 31 THR OG1 : rot 60:sc= 0.578 USER MOD Single : A 32 MET CE :methyl 142:sc= -17.1! (180deg=-20.1!) USER MOD Single : A 34 ASN : amide:sc= -0.0575 K(o=-0.057,f=-4.7!) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 GLN : amide:sc= -0.0203 K(o=-0.02,f=-0.57) USER MOD Single : B 106 THR OG1 : rot -35:sc= 0.443! USER MOD Single : B 108 THR OG1 : rot 50:sc= 0.537 USER MOD Single : B 115 GLN : amide:sc= 0.164! C(o=0.16!,f=-5.3!) USER MOD Single : B 120 TYR OH : rot 165:sc= 0 USER MOD Single : B 123 ASN : amide:sc= -0.546 X(o=-0.55,f=-1) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot -79:sc= 1.09 USER MOD Single : B 130 THR OG1 : rot 73:sc= 1.27 USER MOD Single : B 131 THR OG1 : rot 90:sc= -2.18! USER MOD Single : B 132 MET CE :methyl 154:sc= -16.4! (180deg=-21.6!) USER MOD Single : B 133 GLN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : B 134 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -14.244 -13.787 -18.392 1.00 0.00 N ATOM 21 CA LYS A 2 -13.631 -12.706 -17.616 1.00 0.00 C ATOM 22 C LYS A 2 -12.287 -13.152 -17.026 1.00 0.00 C ATOM 23 O LYS A 2 -11.865 -14.292 -17.234 1.00 0.00 O ATOM 24 CB LYS A 2 -14.586 -12.247 -16.506 1.00 0.00 C ATOM 25 CG LYS A 2 -15.686 -11.316 -16.999 1.00 0.00 C ATOM 26 CD LYS A 2 -15.193 -9.881 -17.102 1.00 0.00 C ATOM 27 CE LYS A 2 -16.075 -9.042 -18.016 1.00 0.00 C ATOM 28 NZ LYS A 2 -15.399 -8.711 -19.307 1.00 0.00 N ATOM 0 HA LYS A 2 -13.441 -11.865 -18.283 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.042 -13.123 -16.044 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.012 -11.740 -15.730 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.039 -11.652 -17.974 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.536 -11.362 -16.319 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.170 -9.433 -16.109 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.170 -9.875 -17.479 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.000 -9.581 -18.220 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.350 -8.119 -17.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.249 -7.684 -19.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.482 -9.199 -19.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.996 -9.020 -20.101 1.00 0.00 H new ATOM 42 N GLN A 3 -11.617 -12.258 -16.294 1.00 0.00 N ATOM 43 CA GLN A 3 -10.324 -12.583 -15.690 1.00 0.00 C ATOM 44 C GLN A 3 -10.283 -12.220 -14.217 1.00 0.00 C ATOM 45 O GLN A 3 -10.467 -11.061 -13.846 1.00 0.00 O ATOM 46 CB GLN A 3 -9.185 -11.868 -16.431 1.00 0.00 C ATOM 47 CG GLN A 3 -7.861 -11.905 -15.678 1.00 0.00 C ATOM 48 CD GLN A 3 -6.660 -12.037 -16.592 1.00 0.00 C ATOM 49 OE1 GLN A 3 -6.740 -11.778 -17.791 1.00 0.00 O ATOM 50 NE2 GLN A 3 -5.535 -12.440 -16.025 1.00 0.00 N ATOM 0 H GLN A 3 -11.946 -11.311 -16.107 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.191 -13.661 -15.778 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -9.052 -12.329 -17.410 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -9.468 -10.830 -16.604 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.761 -10.995 -15.086 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.871 -12.741 -14.978 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.512 -12.644 -15.026 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.690 -12.546 -16.587 1.00 0.00 H new ATOM 59 N ARG A 4 -10.040 -13.223 -13.377 1.00 0.00 N ATOM 60 CA ARG A 4 -9.981 -13.010 -11.942 1.00 0.00 C ATOM 61 C ARG A 4 -8.635 -12.482 -11.482 1.00 0.00 C ATOM 62 O ARG A 4 -7.613 -13.163 -11.576 1.00 0.00 O ATOM 63 CB ARG A 4 -10.280 -14.300 -11.188 1.00 0.00 C ATOM 64 CG ARG A 4 -11.238 -14.096 -10.030 1.00 0.00 C ATOM 65 CD ARG A 4 -11.832 -15.413 -9.565 1.00 0.00 C ATOM 66 NE ARG A 4 -13.292 -15.446 -9.712 1.00 0.00 N ATOM 67 CZ ARG A 4 -13.937 -15.619 -10.860 1.00 0.00 C ATOM 68 NH1 ARG A 4 -13.277 -15.750 -11.992 1.00 0.00 N ATOM 69 NH2 ARG A 4 -15.254 -15.669 -10.869 1.00 0.00 N ATOM 0 H ARG A 4 -9.882 -14.187 -13.669 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.739 -12.258 -11.720 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.703 -15.030 -11.879 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.347 -14.720 -10.812 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.714 -13.619 -9.202 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.038 -13.421 -10.332 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.392 -16.230 -10.137 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.570 -15.579 -8.520 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.854 -15.327 -8.869 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.257 -15.719 -11.994 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.785 -15.882 -12.866 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.774 -15.575 -9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.753 -15.802 -11.748 1.00 0.00 H new ATOM 83 N ILE A 5 -8.665 -11.281 -10.934 1.00 0.00 N ATOM 84 CA ILE A 5 -7.480 -10.653 -10.385 1.00 0.00 C ATOM 85 C ILE A 5 -7.682 -10.534 -8.897 1.00 0.00 C ATOM 86 O ILE A 5 -8.677 -9.962 -8.451 1.00 0.00 O ATOM 87 CB ILE A 5 -7.209 -9.265 -11.003 1.00 0.00 C ATOM 88 CG1 ILE A 5 -7.754 -8.133 -10.131 1.00 0.00 C ATOM 89 CG2 ILE A 5 -7.823 -9.202 -12.392 1.00 0.00 C ATOM 90 CD1 ILE A 5 -7.206 -6.769 -10.493 1.00 0.00 C ATOM 0 H ILE A 5 -9.510 -10.715 -10.858 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.609 -11.265 -10.619 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.129 -9.129 -11.068 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.841 -8.112 -10.215 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.519 -8.344 -9.088 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.632 -8.222 -12.830 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.379 -9.973 -13.021 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.898 -9.365 -12.322 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.637 -6.017 -9.833 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.122 -6.771 -10.381 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.464 -6.536 -11.526 1.00 0.00 H new ATOM 102 N THR A 6 -6.794 -11.106 -8.117 1.00 0.00 N ATOM 103 CA THR A 6 -6.980 -11.052 -6.687 1.00 0.00 C ATOM 104 C THR A 6 -5.719 -10.615 -5.937 1.00 0.00 C ATOM 105 O THR A 6 -4.654 -11.212 -6.094 1.00 0.00 O ATOM 106 CB THR A 6 -7.534 -12.397 -6.162 1.00 0.00 C ATOM 107 OG1 THR A 6 -6.864 -12.797 -4.986 1.00 0.00 O ATOM 108 CG2 THR A 6 -7.461 -13.560 -7.146 1.00 0.00 C ATOM 0 H THR A 6 -5.960 -11.600 -8.436 1.00 0.00 H new ATOM 0 HA THR A 6 -7.720 -10.278 -6.486 1.00 0.00 H new ATOM 0 HB THR A 6 -8.588 -12.186 -5.981 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.433 -13.665 -5.134 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.874 -14.456 -6.682 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.035 -13.317 -8.040 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.422 -13.740 -7.420 1.00 0.00 H new ATOM 116 N VAL A 7 -5.879 -9.622 -5.043 1.00 0.00 N ATOM 117 CA VAL A 7 -4.788 -9.164 -4.179 1.00 0.00 C ATOM 118 C VAL A 7 -5.011 -9.814 -2.820 1.00 0.00 C ATOM 119 O VAL A 7 -5.906 -9.406 -2.077 1.00 0.00 O ATOM 120 CB VAL A 7 -4.678 -7.587 -4.044 1.00 0.00 C ATOM 121 CG1 VAL A 7 -5.947 -6.888 -4.499 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.302 -7.123 -2.615 1.00 0.00 C ATOM 0 H VAL A 7 -6.758 -9.124 -4.904 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.839 -9.458 -4.627 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.862 -7.299 -4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.828 -5.810 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.139 -7.127 -5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.786 -7.224 -3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.243 -6.035 -2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.062 -7.462 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.336 -7.545 -2.338 1.00 0.00 H new ATOM 132 N THR A 8 -4.238 -10.850 -2.502 1.00 0.00 N ATOM 133 CA THR A 8 -4.410 -11.541 -1.225 1.00 0.00 C ATOM 134 C THR A 8 -3.955 -10.641 -0.088 1.00 0.00 C ATOM 135 O THR A 8 -2.959 -10.897 0.588 1.00 0.00 O ATOM 136 CB THR A 8 -3.661 -12.874 -1.208 1.00 0.00 C ATOM 137 OG1 THR A 8 -2.651 -12.909 -2.199 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.567 -14.052 -1.445 1.00 0.00 C ATOM 0 H THR A 8 -3.500 -11.225 -3.098 1.00 0.00 H new ATOM 0 HA THR A 8 -5.468 -11.766 -1.092 1.00 0.00 H new ATOM 0 HB THR A 8 -3.227 -12.948 -0.211 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.188 -13.772 -2.164 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.982 -14.971 -1.422 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.329 -14.087 -0.666 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.047 -13.952 -2.418 1.00 0.00 H new ATOM 146 N VAL A 9 -4.713 -9.572 0.094 1.00 0.00 N ATOM 147 CA VAL A 9 -4.444 -8.580 1.111 1.00 0.00 C ATOM 148 C VAL A 9 -5.446 -8.713 2.266 1.00 0.00 C ATOM 149 O VAL A 9 -5.648 -9.817 2.768 1.00 0.00 O ATOM 150 CB VAL A 9 -4.457 -7.166 0.470 1.00 0.00 C ATOM 151 CG1 VAL A 9 -5.855 -6.752 0.002 1.00 0.00 C ATOM 152 CG2 VAL A 9 -3.864 -6.134 1.410 1.00 0.00 C ATOM 0 H VAL A 9 -5.540 -9.370 -0.468 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.453 -8.741 1.536 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.829 -7.215 -0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.811 -5.756 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.215 -7.463 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.536 -6.742 0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.886 -5.153 0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.446 -6.104 2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.833 -6.402 1.641 1.00 0.00 H new ATOM 162 N ASP A 10 -6.034 -7.595 2.699 1.00 0.00 N ATOM 163 CA ASP A 10 -6.980 -7.551 3.795 1.00 0.00 C ATOM 164 C ASP A 10 -6.807 -6.205 4.471 1.00 0.00 C ATOM 165 O ASP A 10 -7.490 -5.237 4.138 1.00 0.00 O ATOM 166 CB ASP A 10 -6.757 -8.710 4.791 1.00 0.00 C ATOM 167 CG ASP A 10 -7.373 -8.461 6.151 1.00 0.00 C ATOM 168 OD1 ASP A 10 -8.609 -8.559 6.264 1.00 0.00 O ATOM 169 OD2 ASP A 10 -6.615 -8.167 7.101 1.00 0.00 O ATOM 0 H ASP A 10 -5.856 -6.681 2.283 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.997 -7.670 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.177 -9.625 4.372 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.686 -8.876 4.910 1.00 0.00 H new ATOM 174 N SER A 11 -5.884 -6.146 5.412 1.00 0.00 N ATOM 175 CA SER A 11 -5.617 -4.932 6.149 1.00 0.00 C ATOM 176 C SER A 11 -4.847 -3.876 5.349 1.00 0.00 C ATOM 177 O SER A 11 -4.675 -2.765 5.852 1.00 0.00 O ATOM 178 CB SER A 11 -4.845 -5.280 7.422 1.00 0.00 C ATOM 179 OG SER A 11 -5.611 -6.120 8.276 1.00 0.00 O ATOM 0 H SER A 11 -5.301 -6.938 5.684 1.00 0.00 H new ATOM 0 HA SER A 11 -6.584 -4.487 6.383 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.912 -5.778 7.159 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.580 -4.365 7.951 1.00 0.00 H new ATOM 0 HG SER A 11 -5.733 -6.994 7.851 1.00 0.00 H new ATOM 185 N ASP A 12 -4.379 -4.160 4.112 1.00 0.00 N ATOM 186 CA ASP A 12 -3.654 -3.125 3.380 1.00 0.00 C ATOM 187 C ASP A 12 -4.643 -2.140 2.752 1.00 0.00 C ATOM 188 O ASP A 12 -4.660 -1.926 1.542 1.00 0.00 O ATOM 189 CB ASP A 12 -2.726 -3.750 2.333 1.00 0.00 C ATOM 190 CG ASP A 12 -1.385 -3.043 2.218 1.00 0.00 C ATOM 191 OD1 ASP A 12 -1.154 -2.057 2.950 1.00 0.00 O ATOM 192 OD2 ASP A 12 -0.564 -3.481 1.389 1.00 0.00 O ATOM 0 H ASP A 12 -4.487 -5.052 3.629 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.024 -2.570 4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.556 -4.796 2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.222 -3.734 1.362 1.00 0.00 H new ATOM 197 N SER A 13 -5.482 -1.550 3.604 1.00 0.00 N ATOM 198 CA SER A 13 -6.496 -0.580 3.175 1.00 0.00 C ATOM 199 C SER A 13 -7.586 -1.182 2.266 1.00 0.00 C ATOM 200 O SER A 13 -8.655 -0.586 2.127 1.00 0.00 O ATOM 201 CB SER A 13 -5.825 0.595 2.465 1.00 0.00 C ATOM 202 OG SER A 13 -5.235 1.483 3.401 1.00 0.00 O ATOM 0 H SER A 13 -5.480 -1.729 4.608 1.00 0.00 H new ATOM 0 HA SER A 13 -6.999 -0.244 4.081 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.063 0.224 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.560 1.130 1.864 1.00 0.00 H new ATOM 0 HG SER A 13 -4.271 1.542 3.233 1.00 0.00 H new ATOM 208 N TYR A 14 -7.332 -2.355 1.653 1.00 0.00 N ATOM 209 CA TYR A 14 -8.314 -2.994 0.771 1.00 0.00 C ATOM 210 C TYR A 14 -9.676 -3.090 1.456 1.00 0.00 C ATOM 211 O TYR A 14 -10.690 -2.640 0.917 1.00 0.00 O ATOM 212 CB TYR A 14 -7.854 -4.395 0.360 1.00 0.00 C ATOM 213 CG TYR A 14 -8.979 -5.405 0.356 1.00 0.00 C ATOM 214 CD1 TYR A 14 -9.925 -5.439 -0.668 1.00 0.00 C ATOM 215 CD2 TYR A 14 -9.110 -6.306 1.397 1.00 0.00 C ATOM 216 CE1 TYR A 14 -10.959 -6.355 -0.646 1.00 0.00 C ATOM 217 CE2 TYR A 14 -10.135 -7.217 1.427 1.00 0.00 C ATOM 218 CZ TYR A 14 -11.056 -7.244 0.407 1.00 0.00 C ATOM 219 OH TYR A 14 -12.082 -8.163 0.445 1.00 0.00 O ATOM 0 H TYR A 14 -6.459 -2.872 1.755 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.404 -2.375 -0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.410 -4.349 -0.634 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.073 -4.731 1.043 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.848 -4.741 -1.488 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.391 -6.292 2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.685 -6.376 -1.445 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.218 -7.911 2.250 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.709 -9.069 0.453 1.00 0.00 H new ATOM 229 N GLN A 15 -9.688 -3.723 2.634 1.00 0.00 N ATOM 230 CA GLN A 15 -10.921 -3.930 3.380 1.00 0.00 C ATOM 231 C GLN A 15 -11.734 -2.637 3.556 1.00 0.00 C ATOM 232 O GLN A 15 -12.947 -2.649 3.393 1.00 0.00 O ATOM 233 CB GLN A 15 -10.633 -4.553 4.752 1.00 0.00 C ATOM 234 CG GLN A 15 -9.989 -5.930 4.686 1.00 0.00 C ATOM 235 CD GLN A 15 -10.938 -7.058 5.060 1.00 0.00 C ATOM 236 OE1 GLN A 15 -11.378 -7.827 4.206 1.00 0.00 O ATOM 237 NE2 GLN A 15 -11.258 -7.168 6.340 1.00 0.00 N ATOM 0 H GLN A 15 -8.855 -4.099 3.086 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.524 -4.618 2.788 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.980 -3.885 5.313 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.567 -4.627 5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.614 -6.100 3.677 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.128 -5.953 5.354 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.874 -6.512 7.020 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.889 -7.909 6.646 1.00 0.00 H new ATOM 246 N LEU A 16 -11.056 -1.535 3.894 1.00 0.00 N ATOM 247 CA LEU A 16 -11.718 -0.235 4.110 1.00 0.00 C ATOM 248 C LEU A 16 -12.576 0.205 2.914 1.00 0.00 C ATOM 249 O LEU A 16 -13.676 0.724 3.094 1.00 0.00 O ATOM 250 CB LEU A 16 -10.674 0.848 4.416 1.00 0.00 C ATOM 251 CG LEU A 16 -10.689 1.392 5.849 1.00 0.00 C ATOM 252 CD1 LEU A 16 -9.954 2.719 5.915 1.00 0.00 C ATOM 253 CD2 LEU A 16 -12.115 1.558 6.353 1.00 0.00 C ATOM 0 H LEU A 16 -10.045 -1.513 4.025 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.387 -0.364 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.684 0.442 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.827 1.680 3.728 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.181 0.672 6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.972 3.094 6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.921 2.579 5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.441 3.438 5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.098 1.945 7.372 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.650 2.256 5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.620 0.592 6.340 1.00 0.00 H new ATOM 265 N LEU A 17 -12.070 -0.017 1.706 1.00 0.00 N ATOM 266 CA LEU A 17 -12.817 0.364 0.498 1.00 0.00 C ATOM 267 C LEU A 17 -14.161 -0.338 0.457 1.00 0.00 C ATOM 268 O LEU A 17 -15.220 0.292 0.453 1.00 0.00 O ATOM 269 CB LEU A 17 -12.069 0.023 -0.770 1.00 0.00 C ATOM 270 CG LEU A 17 -11.662 1.230 -1.617 1.00 0.00 C ATOM 271 CD1 LEU A 17 -12.889 1.851 -2.261 1.00 0.00 C ATOM 272 CD2 LEU A 17 -10.933 2.259 -0.769 1.00 0.00 C ATOM 0 H LEU A 17 -11.163 -0.450 1.531 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.950 1.445 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.172 -0.538 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.691 -0.636 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.984 0.891 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.589 2.710 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.377 1.114 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.582 2.176 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.652 3.109 -1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.587 2.597 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.036 1.810 -0.342 1.00 0.00 H new ATOM 284 N LYS A 18 -14.093 -1.659 0.441 1.00 0.00 N ATOM 285 CA LYS A 18 -15.278 -2.495 0.410 1.00 0.00 C ATOM 286 C LYS A 18 -16.031 -2.406 1.726 1.00 0.00 C ATOM 287 O LYS A 18 -17.246 -2.598 1.775 1.00 0.00 O ATOM 288 CB LYS A 18 -14.873 -3.925 0.115 1.00 0.00 C ATOM 289 CG LYS A 18 -13.847 -4.427 1.096 1.00 0.00 C ATOM 290 CD LYS A 18 -13.912 -5.941 1.227 1.00 0.00 C ATOM 291 CE LYS A 18 -13.398 -6.416 2.574 1.00 0.00 C ATOM 292 NZ LYS A 18 -13.121 -7.879 2.580 1.00 0.00 N ATOM 0 H LYS A 18 -13.216 -2.180 0.449 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.946 -2.144 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.753 -4.567 0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.471 -3.988 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.851 -4.129 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.014 -3.967 2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.942 -6.273 1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.324 -6.400 0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.487 -5.873 2.826 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.132 -6.183 3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.422 -8.097 3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.001 -8.398 2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.746 -8.165 1.653 1.00 0.00 H new ATOM 306 N ALA A 19 -15.291 -2.084 2.779 1.00 0.00 N ATOM 307 CA ALA A 19 -15.862 -1.924 4.109 1.00 0.00 C ATOM 308 C ALA A 19 -16.924 -0.834 4.083 1.00 0.00 C ATOM 309 O ALA A 19 -17.822 -0.803 4.925 1.00 0.00 O ATOM 310 CB ALA A 19 -14.783 -1.598 5.135 1.00 0.00 C ATOM 0 H ALA A 19 -14.284 -1.927 2.736 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.324 -2.866 4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.239 -1.484 6.119 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.053 -2.407 5.165 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.285 -0.670 4.856 1.00 0.00 H new ATOM 316 N TYR A 20 -16.826 0.043 3.083 1.00 0.00 N ATOM 317 CA TYR A 20 -17.779 1.111 2.908 1.00 0.00 C ATOM 318 C TYR A 20 -18.937 0.605 2.064 1.00 0.00 C ATOM 319 O TYR A 20 -20.088 0.702 2.491 1.00 0.00 O ATOM 320 CB TYR A 20 -17.142 2.323 2.216 1.00 0.00 C ATOM 321 CG TYR A 20 -15.908 2.876 2.894 1.00 0.00 C ATOM 322 CD1 TYR A 20 -15.712 2.752 4.264 1.00 0.00 C ATOM 323 CD2 TYR A 20 -14.938 3.534 2.152 1.00 0.00 C ATOM 324 CE1 TYR A 20 -14.580 3.269 4.870 1.00 0.00 C ATOM 325 CE2 TYR A 20 -13.814 4.052 2.747 1.00 0.00 C ATOM 326 CZ TYR A 20 -13.635 3.920 4.105 1.00 0.00 C ATOM 327 OH TYR A 20 -12.510 4.444 4.700 1.00 0.00 O ATOM 0 H TYR A 20 -16.085 0.024 2.382 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.128 1.426 3.891 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.882 2.043 1.195 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -17.887 3.116 2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -16.453 2.245 4.864 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -15.069 3.641 1.085 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.438 3.163 5.935 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.072 4.562 2.150 1.00 0.00 H new ATOM 0 HH TYR A 20 -12.404 5.380 4.431 1.00 0.00 H new ATOM 337 N ASP A 21 -18.622 0.051 0.871 1.00 0.00 N ATOM 338 CA ASP A 21 -19.659 -0.476 -0.036 1.00 0.00 C ATOM 339 C ASP A 21 -19.130 -0.685 -1.456 1.00 0.00 C ATOM 340 O ASP A 21 -19.844 -0.469 -2.437 1.00 0.00 O ATOM 341 CB ASP A 21 -20.847 0.488 -0.084 1.00 0.00 C ATOM 342 CG ASP A 21 -20.534 1.797 -0.795 1.00 0.00 C ATOM 343 OD1 ASP A 21 -19.470 2.393 -0.519 1.00 0.00 O ATOM 344 OD2 ASP A 21 -21.361 2.229 -1.624 1.00 0.00 O ATOM 0 H ASP A 21 -17.669 -0.041 0.520 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.970 -1.444 0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -21.681 -0.000 -0.588 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -21.171 0.704 0.934 1.00 0.00 H new ATOM 349 N VAL A 22 -17.876 -1.082 -1.573 1.00 0.00 N ATOM 350 CA VAL A 22 -17.269 -1.274 -2.871 1.00 0.00 C ATOM 351 C VAL A 22 -16.129 -2.268 -2.839 1.00 0.00 C ATOM 352 O VAL A 22 -14.998 -1.940 -2.475 1.00 0.00 O ATOM 353 CB VAL A 22 -16.795 0.092 -3.401 1.00 0.00 C ATOM 354 CG1 VAL A 22 -15.635 0.648 -2.585 1.00 0.00 C ATOM 355 CG2 VAL A 22 -16.439 0.016 -4.876 1.00 0.00 C ATOM 0 H VAL A 22 -17.261 -1.277 -0.783 1.00 0.00 H new ATOM 0 HA VAL A 22 -18.017 -1.697 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.629 0.785 -3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.332 1.612 -2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.947 0.775 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.794 -0.045 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.108 0.995 -5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.638 -0.709 -5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -17.315 -0.293 -5.446 1.00 0.00 H new ATOM 365 N ASN A 23 -16.427 -3.503 -3.239 1.00 0.00 N ATOM 366 CA ASN A 23 -15.415 -4.554 -3.279 1.00 0.00 C ATOM 367 C ASN A 23 -14.262 -4.205 -4.231 1.00 0.00 C ATOM 368 O ASN A 23 -13.482 -5.085 -4.559 1.00 0.00 O ATOM 369 CB ASN A 23 -16.027 -5.891 -3.689 1.00 0.00 C ATOM 370 CG ASN A 23 -16.508 -6.699 -2.498 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.739 -7.002 -1.588 1.00 0.00 O ATOM 372 ND2 ASN A 23 -17.781 -7.057 -2.497 1.00 0.00 N ATOM 0 H ASN A 23 -17.356 -3.798 -3.538 1.00 0.00 H new ATOM 0 HA ASN A 23 -15.013 -4.638 -2.269 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -16.864 -5.712 -4.364 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -15.288 -6.471 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -18.156 -7.604 -1.722 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -18.388 -6.786 -3.271 1.00 0.00 H new ATOM 379 N ILE A 24 -14.184 -2.922 -4.661 1.00 0.00 N ATOM 380 CA ILE A 24 -13.185 -2.362 -5.532 1.00 0.00 C ATOM 381 C ILE A 24 -13.131 -2.876 -6.954 1.00 0.00 C ATOM 382 O ILE A 24 -12.357 -2.363 -7.761 1.00 0.00 O ATOM 383 CB ILE A 24 -11.821 -2.331 -4.905 1.00 0.00 C ATOM 384 CG1 ILE A 24 -11.345 -3.686 -4.417 1.00 0.00 C ATOM 385 CG2 ILE A 24 -11.804 -1.322 -3.769 1.00 0.00 C ATOM 386 CD1 ILE A 24 -11.212 -4.698 -5.511 1.00 0.00 C ATOM 0 H ILE A 24 -14.873 -2.226 -4.376 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.545 -1.340 -5.652 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.122 -2.032 -5.686 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.381 -3.568 -3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.043 -4.060 -3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.813 -1.301 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.046 -0.333 -4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -12.541 -1.607 -3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.868 -5.644 -5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.180 -4.844 -5.991 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.491 -4.344 -6.248 1.00 0.00 H new ATOM 398 N SER A 25 -13.920 -3.875 -7.253 1.00 0.00 N ATOM 399 CA SER A 25 -13.935 -4.464 -8.599 1.00 0.00 C ATOM 400 C SER A 25 -13.791 -3.392 -9.691 1.00 0.00 C ATOM 401 O SER A 25 -12.808 -3.385 -10.444 1.00 0.00 O ATOM 402 CB SER A 25 -15.226 -5.255 -8.808 1.00 0.00 C ATOM 403 OG SER A 25 -16.299 -4.422 -9.218 1.00 0.00 O ATOM 0 H SER A 25 -14.566 -4.309 -6.594 1.00 0.00 H new ATOM 0 HA SER A 25 -13.080 -5.135 -8.679 1.00 0.00 H new ATOM 0 HB2 SER A 25 -15.060 -6.028 -9.558 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.494 -5.762 -7.881 1.00 0.00 H new ATOM 0 HG SER A 25 -17.105 -4.965 -9.343 1.00 0.00 H new ATOM 409 N GLY A 26 -14.755 -2.481 -9.760 1.00 0.00 N ATOM 410 CA GLY A 26 -14.703 -1.421 -10.752 1.00 0.00 C ATOM 411 C GLY A 26 -13.567 -0.442 -10.517 1.00 0.00 C ATOM 412 O GLY A 26 -12.938 0.014 -11.466 1.00 0.00 O ATOM 0 H GLY A 26 -15.571 -2.457 -9.148 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.595 -1.863 -11.742 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.649 -0.879 -10.746 1.00 0.00 H new ATOM 416 N LEU A 27 -13.298 -0.112 -9.253 1.00 0.00 N ATOM 417 CA LEU A 27 -12.243 0.822 -8.910 1.00 0.00 C ATOM 418 C LEU A 27 -10.864 0.309 -9.309 1.00 0.00 C ATOM 419 O LEU A 27 -10.167 0.947 -10.096 1.00 0.00 O ATOM 420 CB LEU A 27 -12.281 1.077 -7.413 1.00 0.00 C ATOM 421 CG LEU A 27 -11.037 1.735 -6.841 1.00 0.00 C ATOM 422 CD1 LEU A 27 -11.182 3.242 -6.881 1.00 0.00 C ATOM 423 CD2 LEU A 27 -10.809 1.236 -5.435 1.00 0.00 C ATOM 0 H LEU A 27 -13.804 -0.485 -8.450 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.416 1.745 -9.463 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.142 1.706 -7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.439 0.127 -6.902 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.167 1.472 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.285 3.705 -6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.317 3.567 -7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.048 3.540 -6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.917 1.707 -5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.671 1.486 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.675 0.154 -5.450 1.00 0.00 H new ATOM 435 N VAL A 28 -10.465 -0.825 -8.733 1.00 0.00 N ATOM 436 CA VAL A 28 -9.156 -1.418 -9.001 1.00 0.00 C ATOM 437 C VAL A 28 -8.745 -1.328 -10.474 1.00 0.00 C ATOM 438 O VAL A 28 -7.862 -0.545 -10.824 1.00 0.00 O ATOM 439 CB VAL A 28 -9.127 -2.885 -8.546 1.00 0.00 C ATOM 440 CG1 VAL A 28 -7.879 -3.597 -9.051 1.00 0.00 C ATOM 441 CG2 VAL A 28 -9.213 -2.949 -7.037 1.00 0.00 C ATOM 0 H VAL A 28 -11.035 -1.354 -8.073 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.434 -0.836 -8.429 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.987 -3.400 -8.974 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.889 -4.633 -8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.862 -3.572 -10.141 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.992 -3.096 -8.662 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.192 -3.990 -6.715 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.367 -2.418 -6.601 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.142 -2.485 -6.706 1.00 0.00 H new ATOM 451 N SER A 29 -9.368 -2.137 -11.329 1.00 0.00 N ATOM 452 CA SER A 29 -9.044 -2.157 -12.751 1.00 0.00 C ATOM 453 C SER A 29 -9.210 -0.791 -13.426 1.00 0.00 C ATOM 454 O SER A 29 -8.442 -0.459 -14.332 1.00 0.00 O ATOM 455 CB SER A 29 -9.883 -3.208 -13.460 1.00 0.00 C ATOM 456 OG SER A 29 -11.025 -3.566 -12.698 1.00 0.00 O ATOM 0 H SER A 29 -10.103 -2.790 -11.058 1.00 0.00 H new ATOM 0 HA SER A 29 -7.988 -2.413 -12.833 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.198 -2.828 -14.432 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.276 -4.094 -13.646 1.00 0.00 H new ATOM 0 HG SER A 29 -11.581 -2.773 -12.550 1.00 0.00 H new ATOM 462 N THR A 30 -10.167 0.023 -12.973 1.00 0.00 N ATOM 463 CA THR A 30 -10.346 1.356 -13.544 1.00 0.00 C ATOM 464 C THR A 30 -9.126 2.163 -13.190 1.00 0.00 C ATOM 465 O THR A 30 -8.451 2.726 -14.055 1.00 0.00 O ATOM 466 CB THR A 30 -11.604 2.046 -12.996 1.00 0.00 C ATOM 467 OG1 THR A 30 -12.699 1.856 -13.874 1.00 0.00 O ATOM 468 CG2 THR A 30 -11.440 3.545 -12.783 1.00 0.00 C ATOM 0 H THR A 30 -10.819 -0.214 -12.225 1.00 0.00 H new ATOM 0 HA THR A 30 -10.471 1.276 -14.624 1.00 0.00 H new ATOM 0 HB THR A 30 -11.782 1.581 -12.026 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.805 0.900 -14.063 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.370 3.961 -12.395 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.636 3.725 -12.070 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.197 4.023 -13.732 1.00 0.00 H new ATOM 476 N THR A 31 -8.847 2.193 -11.893 1.00 0.00 N ATOM 477 CA THR A 31 -7.702 2.904 -11.382 1.00 0.00 C ATOM 478 C THR A 31 -6.465 2.471 -12.139 1.00 0.00 C ATOM 479 O THR A 31 -5.688 3.310 -12.601 1.00 0.00 O ATOM 480 CB THR A 31 -7.515 2.663 -9.887 1.00 0.00 C ATOM 481 OG1 THR A 31 -8.740 2.801 -9.195 1.00 0.00 O ATOM 482 CG2 THR A 31 -6.531 3.620 -9.261 1.00 0.00 C ATOM 0 H THR A 31 -9.407 1.727 -11.179 1.00 0.00 H new ATOM 0 HA THR A 31 -7.868 3.972 -11.525 1.00 0.00 H new ATOM 0 HB THR A 31 -7.130 1.647 -9.801 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.385 2.148 -9.538 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.438 3.402 -8.197 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.559 3.508 -9.741 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.884 4.643 -9.392 1.00 0.00 H new ATOM 490 N MET A 32 -6.293 1.154 -12.284 1.00 0.00 N ATOM 491 CA MET A 32 -5.164 0.614 -13.008 1.00 0.00 C ATOM 492 C MET A 32 -4.998 1.296 -14.360 1.00 0.00 C ATOM 493 O MET A 32 -3.908 1.726 -14.683 1.00 0.00 O ATOM 494 CB MET A 32 -5.333 -0.885 -13.184 1.00 0.00 C ATOM 495 CG MET A 32 -5.340 -1.625 -11.866 1.00 0.00 C ATOM 496 SD MET A 32 -6.091 -3.245 -11.989 1.00 0.00 S ATOM 497 CE MET A 32 -4.728 -4.216 -11.393 1.00 0.00 C ATOM 0 H MET A 32 -6.927 0.451 -11.905 1.00 0.00 H new ATOM 0 HA MET A 32 -4.261 0.805 -12.428 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.265 -1.083 -13.713 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.525 -1.268 -13.808 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.316 -1.730 -11.507 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.879 -1.034 -11.125 1.00 0.00 H new ATOM 0 HE1 MET A 32 -5.105 -5.033 -10.777 1.00 0.00 H new ATOM 0 HE2 MET A 32 -4.175 -4.624 -12.239 1.00 0.00 H new ATOM 0 HE3 MET A 32 -4.067 -3.587 -10.797 1.00 0.00 H new ATOM 507 N GLN A 33 -6.072 1.417 -15.149 1.00 0.00 N ATOM 508 CA GLN A 33 -5.973 2.078 -16.461 1.00 0.00 C ATOM 509 C GLN A 33 -5.257 3.420 -16.328 1.00 0.00 C ATOM 510 O GLN A 33 -4.477 3.803 -17.197 1.00 0.00 O ATOM 511 CB GLN A 33 -7.371 2.259 -17.084 1.00 0.00 C ATOM 512 CG GLN A 33 -7.732 3.694 -17.486 1.00 0.00 C ATOM 513 CD GLN A 33 -7.395 4.019 -18.934 1.00 0.00 C ATOM 514 OE1 GLN A 33 -6.758 5.030 -19.223 1.00 0.00 O ATOM 515 NE2 GLN A 33 -7.828 3.171 -19.856 1.00 0.00 N ATOM 0 H GLN A 33 -7.003 1.075 -14.911 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.387 1.444 -17.126 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.441 1.624 -17.967 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.116 1.901 -16.373 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.799 3.851 -17.325 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.205 4.390 -16.833 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.354 2.342 -19.580 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.635 3.348 -20.842 1.00 0.00 H new ATOM 524 N ASN A 34 -5.502 4.109 -15.220 1.00 0.00 N ATOM 525 CA ASN A 34 -4.859 5.391 -14.949 1.00 0.00 C ATOM 526 C ASN A 34 -3.363 5.198 -14.709 1.00 0.00 C ATOM 527 O ASN A 34 -2.540 5.845 -15.360 1.00 0.00 O ATOM 528 CB ASN A 34 -5.528 6.053 -13.737 1.00 0.00 C ATOM 529 CG ASN A 34 -5.846 7.518 -13.956 1.00 0.00 C ATOM 530 OD1 ASN A 34 -5.041 8.273 -14.509 1.00 0.00 O ATOM 531 ND2 ASN A 34 -7.024 7.929 -13.512 1.00 0.00 N ATOM 0 H ASN A 34 -6.145 3.800 -14.491 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.976 6.043 -15.815 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.449 5.519 -13.502 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.873 5.956 -12.871 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.298 8.905 -13.621 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.658 7.269 -13.061 1.00 0.00 H new ATOM 538 N GLU A 35 -3.011 4.280 -13.809 1.00 0.00 N ATOM 539 CA GLU A 35 -1.605 3.986 -13.528 1.00 0.00 C ATOM 540 C GLU A 35 -0.985 3.152 -14.658 1.00 0.00 C ATOM 541 O GLU A 35 0.235 3.092 -14.795 1.00 0.00 O ATOM 542 CB GLU A 35 -1.470 3.263 -12.183 1.00 0.00 C ATOM 543 CG GLU A 35 -0.268 3.716 -11.358 1.00 0.00 C ATOM 544 CD GLU A 35 -0.111 5.227 -11.305 1.00 0.00 C ATOM 545 OE1 GLU A 35 -0.977 5.896 -10.701 1.00 0.00 O ATOM 546 OE2 GLU A 35 0.881 5.740 -11.867 1.00 0.00 O ATOM 0 H GLU A 35 -3.675 3.730 -13.265 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.062 4.929 -13.469 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.378 3.423 -11.602 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.392 2.191 -12.364 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.367 3.332 -10.343 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.638 3.278 -11.777 1.00 0.00 H new ATOM 553 N ALA A 36 -1.843 2.541 -15.483 1.00 0.00 N ATOM 554 CA ALA A 36 -1.419 1.743 -16.628 1.00 0.00 C ATOM 555 C ALA A 36 -1.217 2.647 -17.837 1.00 0.00 C ATOM 556 O ALA A 36 -0.440 2.337 -18.734 1.00 0.00 O ATOM 557 CB ALA A 36 -2.447 0.667 -16.936 1.00 0.00 C ATOM 0 H ALA A 36 -2.856 2.590 -15.370 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.475 1.254 -16.389 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.115 0.081 -17.793 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.560 0.013 -16.071 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.405 1.134 -17.165 1.00 0.00 H new ATOM 563 N ARG A 37 -1.919 3.779 -17.842 1.00 0.00 N ATOM 564 CA ARG A 37 -1.799 4.760 -18.903 1.00 0.00 C ATOM 565 C ARG A 37 -0.602 5.632 -18.655 1.00 0.00 C ATOM 566 O ARG A 37 0.191 5.916 -19.551 1.00 0.00 O ATOM 567 CB ARG A 37 -2.991 5.686 -18.917 1.00 0.00 C ATOM 568 CG ARG A 37 -3.848 5.544 -20.144 1.00 0.00 C ATOM 569 CD ARG A 37 -3.319 6.396 -21.288 1.00 0.00 C ATOM 570 NE ARG A 37 -3.443 5.723 -22.585 1.00 0.00 N ATOM 571 CZ ARG A 37 -4.598 5.437 -23.171 1.00 0.00 C ATOM 572 NH1 ARG A 37 -5.741 5.746 -22.588 1.00 0.00 N ATOM 573 NH2 ARG A 37 -4.607 4.837 -24.343 1.00 0.00 N ATOM 0 H ARG A 37 -2.583 4.035 -17.111 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.719 4.212 -19.842 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.600 5.494 -18.034 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.642 6.716 -18.845 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.878 4.498 -20.450 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.872 5.838 -19.912 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.863 7.340 -21.317 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.272 6.637 -21.105 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.585 5.457 -23.068 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.741 6.209 -21.679 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.624 5.522 -23.046 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.727 4.593 -24.798 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.494 4.616 -24.796 1.00 0.00 H new ATOM 587 N ARG A 38 -0.526 6.097 -17.418 1.00 0.00 N ATOM 588 CA ARG A 38 0.528 6.996 -17.014 1.00 0.00 C ATOM 589 C ARG A 38 1.836 6.275 -16.635 1.00 0.00 C ATOM 590 O ARG A 38 2.912 6.812 -16.885 1.00 0.00 O ATOM 591 CB ARG A 38 0.055 7.869 -15.848 1.00 0.00 C ATOM 592 CG ARG A 38 -1.248 8.605 -16.132 1.00 0.00 C ATOM 593 CD ARG A 38 -1.373 9.871 -15.299 1.00 0.00 C ATOM 594 NE ARG A 38 -1.935 10.980 -16.076 1.00 0.00 N ATOM 595 CZ ARG A 38 -3.212 11.082 -16.429 1.00 0.00 C ATOM 596 NH1 ARG A 38 -4.087 10.161 -16.069 1.00 0.00 N ATOM 597 NH2 ARG A 38 -3.616 12.120 -17.136 1.00 0.00 N ATOM 0 H ARG A 38 -1.188 5.862 -16.678 1.00 0.00 H new ATOM 0 HA ARG A 38 0.755 7.617 -17.881 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.075 7.243 -14.965 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.831 8.597 -15.611 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.299 8.860 -17.191 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.091 7.947 -15.922 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.006 9.676 -14.434 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.392 10.154 -14.918 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.302 11.725 -16.366 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.785 9.360 -15.514 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.065 10.250 -16.346 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.949 12.841 -17.410 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.596 12.201 -17.409 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.332 -13.136 6.054 1.00 0.00 N ATOM 1185 CA LYS B 102 -5.137 -12.882 4.627 1.00 0.00 C ATOM 1186 C LYS B 102 -6.470 -12.948 3.893 1.00 0.00 C ATOM 1187 O LYS B 102 -7.074 -14.016 3.776 1.00 0.00 O ATOM 1188 CB LYS B 102 -4.163 -13.885 4.003 1.00 0.00 C ATOM 1189 CG LYS B 102 -2.757 -13.826 4.584 1.00 0.00 C ATOM 1190 CD LYS B 102 -1.953 -12.676 3.993 1.00 0.00 C ATOM 1191 CE LYS B 102 -1.935 -11.468 4.919 1.00 0.00 C ATOM 1192 NZ LYS B 102 -0.824 -11.549 5.913 1.00 0.00 N ATOM 0 HA LYS B 102 -4.711 -11.884 4.528 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.559 -14.892 4.137 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.109 -13.704 2.929 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -2.815 -13.712 5.666 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -2.243 -14.767 4.390 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -0.931 -13.005 3.804 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -2.379 -12.391 3.031 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -1.829 -10.558 4.328 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -2.888 -11.398 5.444 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -0.844 -10.709 6.526 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -0.939 -12.404 6.494 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 0.087 -11.591 5.413 1.00 0.00 H new ATOM 1206 N GLN B 103 -6.921 -11.808 3.392 1.00 0.00 N ATOM 1207 CA GLN B 103 -8.168 -11.742 2.665 1.00 0.00 C ATOM 1208 C GLN B 103 -7.905 -11.593 1.186 1.00 0.00 C ATOM 1209 O GLN B 103 -7.383 -10.580 0.719 1.00 0.00 O ATOM 1210 CB GLN B 103 -9.044 -10.598 3.176 1.00 0.00 C ATOM 1211 CG GLN B 103 -10.307 -10.421 2.361 1.00 0.00 C ATOM 1212 CD GLN B 103 -11.248 -11.608 2.440 1.00 0.00 C ATOM 1213 OE1 GLN B 103 -11.280 -12.327 3.433 1.00 0.00 O ATOM 1214 NE2 GLN B 103 -12.023 -11.820 1.389 1.00 0.00 N ATOM 0 H GLN B 103 -6.435 -10.915 3.479 1.00 0.00 H new ATOM 0 HA GLN B 103 -8.708 -12.674 2.831 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -9.311 -10.787 4.216 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -8.471 -9.671 3.157 1.00 0.00 H new ATOM 0 HG2 GLN B 103 -10.830 -9.529 2.705 1.00 0.00 H new ATOM 0 HG3 GLN B 103 -10.037 -10.250 1.319 1.00 0.00 H new ATOM 0 HE21 GLN B 103 -11.968 -11.200 0.581 1.00 0.00 H new ATOM 0 HE22 GLN B 103 -12.676 -12.604 1.387 1.00 0.00 H new ATOM 1223 N ARG B 104 -8.268 -12.623 0.453 1.00 0.00 N ATOM 1224 CA ARG B 104 -8.073 -12.637 -0.971 1.00 0.00 C ATOM 1225 C ARG B 104 -9.160 -11.826 -1.673 1.00 0.00 C ATOM 1226 O ARG B 104 -10.289 -12.295 -1.843 1.00 0.00 O ATOM 1227 CB ARG B 104 -8.096 -14.081 -1.454 1.00 0.00 C ATOM 1228 CG ARG B 104 -7.707 -14.267 -2.907 1.00 0.00 C ATOM 1229 CD ARG B 104 -8.266 -15.567 -3.458 1.00 0.00 C ATOM 1230 NE ARG B 104 -9.687 -15.429 -3.778 1.00 0.00 N ATOM 1231 CZ ARG B 104 -10.660 -15.493 -2.879 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -10.423 -15.947 -1.666 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -11.885 -15.147 -3.208 1.00 0.00 N ATOM 0 H ARG B 104 -8.703 -13.466 0.828 1.00 0.00 H new ATOM 0 HA ARG B 104 -7.111 -12.183 -1.209 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -7.420 -14.669 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -9.098 -14.484 -1.305 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -8.078 -13.429 -3.497 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -6.621 -14.266 -2.999 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -7.714 -15.855 -4.353 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -8.129 -16.365 -2.728 1.00 0.00 H new ATOM 0 HE ARG B 104 -9.945 -15.274 -4.753 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -9.484 -16.253 -1.411 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -11.178 -15.992 -0.982 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -12.088 -14.829 -4.156 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -12.632 -15.197 -2.516 1.00 0.00 H new ATOM 1247 N ILE B 105 -8.808 -10.623 -2.110 1.00 0.00 N ATOM 1248 CA ILE B 105 -9.750 -9.769 -2.828 1.00 0.00 C ATOM 1249 C ILE B 105 -9.545 -10.022 -4.293 1.00 0.00 C ATOM 1250 O ILE B 105 -8.414 -10.007 -4.763 1.00 0.00 O ATOM 1251 CB ILE B 105 -9.558 -8.253 -2.540 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -9.226 -7.472 -3.824 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -8.476 -8.042 -1.494 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -9.071 -5.974 -3.622 1.00 0.00 C ATOM 0 H ILE B 105 -7.881 -10.217 -1.981 1.00 0.00 H new ATOM 0 HA ILE B 105 -10.758 -10.016 -2.495 1.00 0.00 H new ATOM 0 HB ILE B 105 -10.501 -7.868 -2.152 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -8.303 -7.867 -4.247 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -10.014 -7.649 -4.557 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -8.355 -6.975 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -8.761 -8.544 -0.569 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -7.534 -8.455 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -8.838 -5.500 -4.576 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -10.001 -5.562 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -8.263 -5.784 -2.916 1.00 0.00 H new ATOM 1266 N THR B 106 -10.614 -10.296 -5.004 1.00 0.00 N ATOM 1267 CA THR B 106 -10.496 -10.597 -6.412 1.00 0.00 C ATOM 1268 C THR B 106 -11.444 -9.745 -7.258 1.00 0.00 C ATOM 1269 O THR B 106 -12.659 -9.909 -7.201 1.00 0.00 O ATOM 1270 CB THR B 106 -10.704 -12.116 -6.639 1.00 0.00 C ATOM 1271 OG1 THR B 106 -11.844 -12.390 -7.433 1.00 0.00 O ATOM 1272 CG2 THR B 106 -10.860 -12.914 -5.359 1.00 0.00 C ATOM 0 H THR B 106 -11.565 -10.317 -4.636 1.00 0.00 H new ATOM 0 HA THR B 106 -9.490 -10.338 -6.743 1.00 0.00 H new ATOM 0 HB THR B 106 -9.790 -12.424 -7.147 1.00 0.00 H new ATOM 0 HG1 THR B 106 -12.546 -11.735 -7.235 1.00 0.00 H new ATOM 0 HG21 THR B 106 -11.001 -13.967 -5.602 1.00 0.00 H new ATOM 0 HG22 THR B 106 -9.965 -12.800 -4.748 1.00 0.00 H new ATOM 0 HG23 THR B 106 -11.726 -12.550 -4.806 1.00 0.00 H new ATOM 1280 N VAL B 107 -10.867 -8.894 -8.109 1.00 0.00 N ATOM 1281 CA VAL B 107 -11.646 -8.084 -9.045 1.00 0.00 C ATOM 1282 C VAL B 107 -11.560 -8.752 -10.405 1.00 0.00 C ATOM 1283 O VAL B 107 -10.567 -8.608 -11.113 1.00 0.00 O ATOM 1284 CB VAL B 107 -11.213 -6.569 -9.142 1.00 0.00 C ATOM 1285 CG1 VAL B 107 -9.757 -6.322 -8.770 1.00 0.00 C ATOM 1286 CG2 VAL B 107 -11.494 -5.972 -10.535 1.00 0.00 C ATOM 0 H VAL B 107 -9.859 -8.748 -8.168 1.00 0.00 H new ATOM 0 HA VAL B 107 -12.668 -8.043 -8.669 1.00 0.00 H new ATOM 0 HB VAL B 107 -11.831 -6.061 -8.402 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -9.534 -5.259 -8.861 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -9.584 -6.643 -7.743 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -9.109 -6.887 -9.440 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -11.180 -4.928 -10.554 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -10.940 -6.531 -11.289 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -12.561 -6.033 -10.749 1.00 0.00 H new ATOM 1296 N THR B 108 -12.578 -9.513 -10.762 1.00 0.00 N ATOM 1297 CA THR B 108 -12.582 -10.204 -12.033 1.00 0.00 C ATOM 1298 C THR B 108 -12.690 -9.182 -13.159 1.00 0.00 C ATOM 1299 O THR B 108 -13.786 -8.871 -13.630 1.00 0.00 O ATOM 1300 CB THR B 108 -13.733 -11.193 -12.072 1.00 0.00 C ATOM 1301 OG1 THR B 108 -14.951 -10.541 -11.785 1.00 0.00 O ATOM 1302 CG2 THR B 108 -13.582 -12.330 -11.101 1.00 0.00 C ATOM 0 H THR B 108 -13.409 -9.666 -10.190 1.00 0.00 H new ATOM 0 HA THR B 108 -11.654 -10.762 -12.161 1.00 0.00 H new ATOM 0 HB THR B 108 -13.728 -11.605 -13.081 1.00 0.00 H new ATOM 0 HG1 THR B 108 -15.034 -9.741 -12.346 1.00 0.00 H new ATOM 0 HG21 THR B 108 -14.441 -12.996 -11.185 1.00 0.00 H new ATOM 0 HG22 THR B 108 -12.670 -12.883 -11.327 1.00 0.00 H new ATOM 0 HG23 THR B 108 -13.525 -11.937 -10.086 1.00 0.00 H new ATOM 1310 N VAL B 109 -11.539 -8.636 -13.544 1.00 0.00 N ATOM 1311 CA VAL B 109 -11.476 -7.609 -14.577 1.00 0.00 C ATOM 1312 C VAL B 109 -11.733 -8.171 -15.973 1.00 0.00 C ATOM 1313 O VAL B 109 -12.852 -8.592 -16.252 1.00 0.00 O ATOM 1314 CB VAL B 109 -10.142 -6.839 -14.542 1.00 0.00 C ATOM 1315 CG1 VAL B 109 -10.243 -5.577 -15.388 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -9.769 -6.486 -13.115 1.00 0.00 C ATOM 0 H VAL B 109 -10.632 -8.891 -13.152 1.00 0.00 H new ATOM 0 HA VAL B 109 -12.279 -6.907 -14.352 1.00 0.00 H new ATOM 0 HB VAL B 109 -9.361 -7.478 -14.955 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -9.295 -5.041 -15.356 1.00 0.00 H new ATOM 0 HG12 VAL B 109 -10.472 -5.847 -16.419 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -11.034 -4.938 -14.996 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -8.824 -5.943 -13.110 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -10.549 -5.862 -12.679 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -9.665 -7.399 -12.529 1.00 0.00 H new ATOM 1326 N ASP B 110 -10.737 -8.101 -16.883 1.00 0.00 N ATOM 1327 CA ASP B 110 -10.925 -8.544 -18.267 1.00 0.00 C ATOM 1328 C ASP B 110 -11.750 -7.495 -19.038 1.00 0.00 C ATOM 1329 O ASP B 110 -11.900 -7.566 -20.257 1.00 0.00 O ATOM 1330 CB ASP B 110 -11.597 -9.920 -18.296 1.00 0.00 C ATOM 1331 CG ASP B 110 -12.194 -10.265 -19.641 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -11.428 -10.612 -20.562 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -13.436 -10.182 -19.767 1.00 0.00 O ATOM 0 H ASP B 110 -9.804 -7.743 -16.679 1.00 0.00 H new ATOM 0 HA ASP B 110 -9.955 -8.641 -18.755 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -10.864 -10.680 -18.026 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -12.381 -9.950 -17.540 1.00 0.00 H new ATOM 1338 N SER B 111 -12.255 -6.504 -18.298 1.00 0.00 N ATOM 1339 CA SER B 111 -13.041 -5.418 -18.868 1.00 0.00 C ATOM 1340 C SER B 111 -12.482 -4.048 -18.463 1.00 0.00 C ATOM 1341 O SER B 111 -11.984 -3.315 -19.315 1.00 0.00 O ATOM 1342 CB SER B 111 -14.509 -5.544 -18.449 1.00 0.00 C ATOM 1343 OG SER B 111 -15.232 -6.360 -19.365 1.00 0.00 O ATOM 0 H SER B 111 -12.128 -6.436 -17.288 1.00 0.00 H new ATOM 0 HA SER B 111 -12.977 -5.494 -19.953 1.00 0.00 H new ATOM 0 HB2 SER B 111 -14.570 -5.972 -17.448 1.00 0.00 H new ATOM 0 HB3 SER B 111 -14.964 -4.554 -18.401 1.00 0.00 H new ATOM 0 HG SER B 111 -16.188 -6.324 -19.151 1.00 0.00 H new ATOM 1349 N ASP B 112 -12.610 -3.685 -17.174 1.00 0.00 N ATOM 1350 CA ASP B 112 -12.154 -2.373 -16.692 1.00 0.00 C ATOM 1351 C ASP B 112 -10.789 -1.944 -17.264 1.00 0.00 C ATOM 1352 O ASP B 112 -10.743 -1.096 -18.161 1.00 0.00 O ATOM 1353 CB ASP B 112 -12.133 -2.343 -15.163 1.00 0.00 C ATOM 1354 CG ASP B 112 -13.402 -1.773 -14.572 1.00 0.00 C ATOM 1355 OD1 ASP B 112 -14.385 -2.528 -14.441 1.00 0.00 O ATOM 1356 OD2 ASP B 112 -13.407 -0.570 -14.233 1.00 0.00 O ATOM 0 H ASP B 112 -13.022 -4.278 -16.454 1.00 0.00 H new ATOM 0 HA ASP B 112 -12.876 -1.645 -17.060 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -11.984 -3.355 -14.786 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -11.283 -1.750 -14.827 1.00 0.00 H new ATOM 1361 N SER B 113 -9.676 -2.488 -16.731 1.00 0.00 N ATOM 1362 CA SER B 113 -8.319 -2.110 -17.182 1.00 0.00 C ATOM 1363 C SER B 113 -7.252 -2.674 -16.226 1.00 0.00 C ATOM 1364 O SER B 113 -6.336 -1.971 -15.795 1.00 0.00 O ATOM 1365 CB SER B 113 -8.203 -0.595 -17.212 1.00 0.00 C ATOM 1366 OG SER B 113 -8.573 -0.079 -18.481 1.00 0.00 O ATOM 0 H SER B 113 -9.689 -3.189 -15.990 1.00 0.00 H new ATOM 0 HA SER B 113 -8.156 -2.522 -18.178 1.00 0.00 H new ATOM 0 HB2 SER B 113 -8.840 -0.163 -16.441 1.00 0.00 H new ATOM 0 HB3 SER B 113 -7.179 -0.301 -16.981 1.00 0.00 H new ATOM 0 HG SER B 113 -9.496 -0.338 -18.683 1.00 0.00 H new ATOM 1372 N TYR B 114 -7.406 -3.947 -15.894 1.00 0.00 N ATOM 1373 CA TYR B 114 -6.504 -4.651 -14.975 1.00 0.00 C ATOM 1374 C TYR B 114 -5.248 -5.199 -15.640 1.00 0.00 C ATOM 1375 O TYR B 114 -4.136 -5.007 -15.144 1.00 0.00 O ATOM 1376 CB TYR B 114 -7.258 -5.788 -14.329 1.00 0.00 C ATOM 1377 CG TYR B 114 -6.451 -7.042 -14.119 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -5.655 -7.185 -13.001 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -6.513 -8.089 -15.025 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.941 -8.337 -12.778 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -5.808 -9.251 -14.814 1.00 0.00 C ATOM 1382 CZ TYR B 114 -5.025 -9.375 -13.687 1.00 0.00 C ATOM 1383 OH TYR B 114 -4.335 -10.542 -13.470 1.00 0.00 O ATOM 0 H TYR B 114 -8.162 -4.530 -16.253 1.00 0.00 H new ATOM 0 HA TYR B 114 -6.169 -3.918 -14.241 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -7.638 -5.452 -13.364 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -8.123 -6.029 -14.946 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -5.592 -6.376 -12.288 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -7.124 -7.991 -15.910 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.319 -8.431 -11.900 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -5.868 -10.060 -15.527 1.00 0.00 H new ATOM 0 HH TYR B 114 -3.835 -10.475 -12.630 1.00 0.00 H new ATOM 1393 N GLN B 115 -5.449 -5.958 -16.715 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.352 -6.631 -17.400 1.00 0.00 C ATOM 1395 C GLN B 115 -3.170 -5.707 -17.691 1.00 0.00 C ATOM 1396 O GLN B 115 -2.033 -6.154 -17.621 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.857 -7.279 -18.696 1.00 0.00 C ATOM 1398 CG GLN B 115 -6.121 -8.118 -18.519 1.00 0.00 C ATOM 1399 CD GLN B 115 -7.393 -7.322 -18.731 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -7.879 -6.656 -17.814 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -7.944 -7.385 -19.932 1.00 0.00 N ATOM 0 H GLN B 115 -6.366 -6.122 -17.131 1.00 0.00 H new ATOM 0 HA GLN B 115 -3.983 -7.402 -16.723 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -5.052 -6.497 -19.429 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.069 -7.910 -19.106 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -6.099 -8.951 -19.221 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -6.129 -8.546 -17.517 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -7.510 -7.948 -20.663 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -8.803 -6.871 -20.127 1.00 0.00 H new ATOM 1410 N LEU B 116 -3.416 -4.431 -18.000 1.00 0.00 N ATOM 1411 CA LEU B 116 -2.315 -3.497 -18.280 1.00 0.00 C ATOM 1412 C LEU B 116 -1.403 -3.314 -17.059 1.00 0.00 C ATOM 1413 O LEU B 116 -0.194 -3.522 -17.142 1.00 0.00 O ATOM 1414 CB LEU B 116 -2.863 -2.132 -18.706 1.00 0.00 C ATOM 1415 CG LEU B 116 -2.375 -1.627 -20.065 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -3.263 -0.499 -20.563 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -0.930 -1.164 -19.973 1.00 0.00 C ATOM 0 H LEU B 116 -4.349 -4.023 -18.063 1.00 0.00 H new ATOM 0 HA LEU B 116 -1.728 -3.927 -19.091 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -3.951 -2.186 -18.726 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -2.595 -1.398 -17.946 1.00 0.00 H new ATOM 0 HG LEU B 116 -2.429 -2.450 -20.778 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -2.902 -0.152 -21.531 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.286 -0.860 -20.666 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -3.239 0.325 -19.850 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -0.599 -0.808 -20.949 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -0.853 -0.355 -19.246 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -0.301 -1.996 -19.658 1.00 0.00 H new ATOM 1429 N LEU B 117 -1.998 -2.892 -15.941 1.00 0.00 N ATOM 1430 CA LEU B 117 -1.230 -2.643 -14.710 1.00 0.00 C ATOM 1431 C LEU B 117 -0.263 -3.786 -14.416 1.00 0.00 C ATOM 1432 O LEU B 117 0.923 -3.575 -14.152 1.00 0.00 O ATOM 1433 CB LEU B 117 -2.168 -2.469 -13.520 1.00 0.00 C ATOM 1434 CG LEU B 117 -1.900 -1.256 -12.632 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -0.636 -1.465 -11.822 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -1.799 0.017 -13.456 1.00 0.00 C ATOM 0 H LEU B 117 -2.999 -2.716 -15.858 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.658 -1.728 -14.866 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -3.190 -2.403 -13.894 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -2.112 -3.366 -12.903 1.00 0.00 H new ATOM 0 HG LEU B 117 -2.741 -1.146 -11.948 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.458 -0.592 -11.194 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.749 -2.348 -11.193 1.00 0.00 H new ATOM 0 HD13 LEU B 117 0.209 -1.605 -12.496 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -1.608 0.863 -12.796 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -0.982 -0.077 -14.172 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -2.734 0.179 -13.992 1.00 0.00 H new ATOM 1448 N LYS B 118 -0.776 -4.999 -14.472 1.00 0.00 N ATOM 1449 CA LYS B 118 0.042 -6.176 -14.221 1.00 0.00 C ATOM 1450 C LYS B 118 0.873 -6.534 -15.445 1.00 0.00 C ATOM 1451 O LYS B 118 1.971 -7.081 -15.329 1.00 0.00 O ATOM 1452 CB LYS B 118 -0.827 -7.338 -13.780 1.00 0.00 C ATOM 1453 CG LYS B 118 -1.817 -7.776 -14.832 1.00 0.00 C ATOM 1454 CD LYS B 118 -2.047 -9.267 -14.727 1.00 0.00 C ATOM 1455 CE LYS B 118 -2.385 -9.897 -16.063 1.00 0.00 C ATOM 1456 NZ LYS B 118 -2.046 -11.349 -16.074 1.00 0.00 N ATOM 0 H LYS B 118 -1.753 -5.199 -14.688 1.00 0.00 H new ATOM 0 HA LYS B 118 0.737 -5.949 -13.412 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -0.188 -8.182 -13.518 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -1.368 -7.056 -12.877 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -2.759 -7.243 -14.703 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -1.442 -7.525 -15.824 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -1.154 -9.742 -14.321 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -2.857 -9.458 -14.023 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -3.447 -9.767 -16.271 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -1.840 -9.387 -16.857 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -2.288 -11.755 -17.001 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -1.028 -11.469 -15.898 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -2.586 -11.837 -15.331 1.00 0.00 H new ATOM 1470 N ALA B 119 0.356 -6.175 -16.614 1.00 0.00 N ATOM 1471 CA ALA B 119 1.064 -6.404 -17.869 1.00 0.00 C ATOM 1472 C ALA B 119 2.408 -5.695 -17.813 1.00 0.00 C ATOM 1473 O ALA B 119 3.380 -6.130 -18.432 1.00 0.00 O ATOM 1474 CB ALA B 119 0.251 -5.920 -19.063 1.00 0.00 C ATOM 0 H ALA B 119 -0.552 -5.723 -16.720 1.00 0.00 H new ATOM 0 HA ALA B 119 1.218 -7.475 -17.998 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.808 -6.106 -19.982 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.697 -6.456 -19.099 1.00 0.00 H new ATOM 0 HB3 ALA B 119 0.060 -4.851 -18.964 1.00 0.00 H new ATOM 1480 N TYR B 120 2.462 -4.611 -17.030 1.00 0.00 N ATOM 1481 CA TYR B 120 3.692 -3.881 -16.862 1.00 0.00 C ATOM 1482 C TYR B 120 4.482 -4.484 -15.697 1.00 0.00 C ATOM 1483 O TYR B 120 5.662 -4.763 -15.876 1.00 0.00 O ATOM 1484 CB TYR B 120 3.448 -2.358 -16.766 1.00 0.00 C ATOM 1485 CG TYR B 120 3.108 -1.779 -15.412 1.00 0.00 C ATOM 1486 CD1 TYR B 120 3.932 -1.944 -14.308 1.00 0.00 C ATOM 1487 CD2 TYR B 120 1.959 -1.017 -15.263 1.00 0.00 C ATOM 1488 CE1 TYR B 120 3.613 -1.370 -13.092 1.00 0.00 C ATOM 1489 CE2 TYR B 120 1.631 -0.443 -14.058 1.00 0.00 C ATOM 1490 CZ TYR B 120 2.462 -0.621 -12.972 1.00 0.00 C ATOM 1491 OH TYR B 120 2.143 -0.048 -11.764 1.00 0.00 O ATOM 0 H TYR B 120 1.667 -4.234 -16.513 1.00 0.00 H new ATOM 0 HA TYR B 120 4.316 -3.988 -17.750 1.00 0.00 H new ATOM 0 HB2 TYR B 120 4.342 -1.853 -17.130 1.00 0.00 H new ATOM 0 HB3 TYR B 120 2.638 -2.106 -17.450 1.00 0.00 H new ATOM 0 HD1 TYR B 120 4.835 -2.529 -14.400 1.00 0.00 H new ATOM 0 HD2 TYR B 120 1.308 -0.871 -16.112 1.00 0.00 H new ATOM 0 HE1 TYR B 120 4.262 -1.508 -12.240 1.00 0.00 H new ATOM 0 HE2 TYR B 120 0.729 0.143 -13.962 1.00 0.00 H new ATOM 0 HH TYR B 120 1.449 0.631 -11.897 1.00 0.00 H new ATOM 1501 N ASP B 121 3.824 -4.768 -14.539 1.00 0.00 N ATOM 1502 CA ASP B 121 4.521 -5.436 -13.407 1.00 0.00 C ATOM 1503 C ASP B 121 3.879 -5.205 -12.031 1.00 0.00 C ATOM 1504 O ASP B 121 4.567 -5.313 -11.014 1.00 0.00 O ATOM 1505 CB ASP B 121 6.000 -5.020 -13.325 1.00 0.00 C ATOM 1506 CG ASP B 121 6.941 -6.182 -13.583 1.00 0.00 C ATOM 1507 OD1 ASP B 121 6.831 -7.204 -12.870 1.00 0.00 O ATOM 1508 OD2 ASP B 121 7.784 -6.075 -14.497 1.00 0.00 O ATOM 0 H ASP B 121 2.842 -4.552 -14.368 1.00 0.00 H new ATOM 0 HA ASP B 121 4.430 -6.498 -13.637 1.00 0.00 H new ATOM 0 HB2 ASP B 121 6.194 -4.231 -14.051 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.203 -4.603 -12.339 1.00 0.00 H new ATOM 1513 N VAL B 122 2.594 -4.870 -11.960 1.00 0.00 N ATOM 1514 CA VAL B 122 1.992 -4.618 -10.652 1.00 0.00 C ATOM 1515 C VAL B 122 0.581 -5.195 -10.489 1.00 0.00 C ATOM 1516 O VAL B 122 -0.416 -4.490 -10.671 1.00 0.00 O ATOM 1517 CB VAL B 122 1.976 -3.104 -10.369 1.00 0.00 C ATOM 1518 CG1 VAL B 122 1.114 -2.766 -9.158 1.00 0.00 C ATOM 1519 CG2 VAL B 122 3.393 -2.597 -10.164 1.00 0.00 C ATOM 0 H VAL B 122 1.968 -4.769 -12.759 1.00 0.00 H new ATOM 0 HA VAL B 122 2.615 -5.139 -9.926 1.00 0.00 H new ATOM 0 HB VAL B 122 1.537 -2.608 -11.235 1.00 0.00 H new ATOM 0 HG11 VAL B 122 1.128 -1.689 -8.991 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.090 -3.092 -9.338 1.00 0.00 H new ATOM 0 HG13 VAL B 122 1.507 -3.275 -8.278 1.00 0.00 H new ATOM 0 HG21 VAL B 122 3.371 -1.526 -9.965 1.00 0.00 H new ATOM 0 HG22 VAL B 122 3.846 -3.114 -9.318 1.00 0.00 H new ATOM 0 HG23 VAL B 122 3.981 -2.787 -11.062 1.00 0.00 H new ATOM 1529 N ASN B 123 0.503 -6.489 -10.162 1.00 0.00 N ATOM 1530 CA ASN B 123 -0.800 -7.163 -9.971 1.00 0.00 C ATOM 1531 C ASN B 123 -1.569 -6.576 -8.770 1.00 0.00 C ATOM 1532 O ASN B 123 -1.924 -7.290 -7.836 1.00 0.00 O ATOM 1533 CB ASN B 123 -0.645 -8.680 -9.786 1.00 0.00 C ATOM 1534 CG ASN B 123 0.733 -9.204 -10.139 1.00 0.00 C ATOM 1535 OD1 ASN B 123 1.037 -9.443 -11.304 1.00 0.00 O ATOM 1536 ND2 ASN B 123 1.580 -9.377 -9.134 1.00 0.00 N ATOM 0 H ASN B 123 1.314 -7.092 -10.024 1.00 0.00 H new ATOM 0 HA ASN B 123 -1.371 -6.984 -10.882 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -0.865 -8.934 -8.749 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -1.386 -9.189 -10.403 1.00 0.00 H new ATOM 0 HD21 ASN B 123 2.523 -9.720 -9.315 1.00 0.00 H new ATOM 0 HD22 ASN B 123 1.289 -9.167 -8.179 1.00 0.00 H new ATOM 1543 N ILE B 124 -1.791 -5.264 -8.831 1.00 0.00 N ATOM 1544 CA ILE B 124 -2.487 -4.452 -7.845 1.00 0.00 C ATOM 1545 C ILE B 124 -2.148 -4.676 -6.362 1.00 0.00 C ATOM 1546 O ILE B 124 -2.586 -3.872 -5.542 1.00 0.00 O ATOM 1547 CB ILE B 124 -3.997 -4.471 -8.028 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.418 -5.579 -8.958 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -4.509 -3.124 -8.502 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.422 -6.870 -8.231 1.00 0.00 C ATOM 0 H ILE B 124 -1.467 -4.708 -9.623 1.00 0.00 H new ATOM 0 HA ILE B 124 -2.083 -3.466 -8.074 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.448 -4.669 -7.056 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -5.411 -5.373 -9.358 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -3.737 -5.632 -9.808 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -5.591 -3.168 -8.624 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.258 -2.360 -7.766 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.046 -2.874 -9.457 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.727 -7.668 -8.908 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -3.421 -7.078 -7.853 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -5.121 -6.815 -7.396 1.00 0.00 H new ATOM 1562 N SER B 125 -1.424 -5.735 -5.987 1.00 0.00 N ATOM 1563 CA SER B 125 -1.123 -5.974 -4.570 1.00 0.00 C ATOM 1564 C SER B 125 -0.844 -4.651 -3.849 1.00 0.00 C ATOM 1565 O SER B 125 -1.573 -4.277 -2.921 1.00 0.00 O ATOM 1566 CB SER B 125 0.078 -6.913 -4.422 1.00 0.00 C ATOM 1567 OG SER B 125 -0.204 -7.952 -3.500 1.00 0.00 O ATOM 0 H SER B 125 -1.041 -6.429 -6.629 1.00 0.00 H new ATOM 0 HA SER B 125 -1.993 -6.446 -4.115 1.00 0.00 H new ATOM 0 HB2 SER B 125 0.332 -7.341 -5.392 1.00 0.00 H new ATOM 0 HB3 SER B 125 0.947 -6.348 -4.085 1.00 0.00 H new ATOM 0 HG SER B 125 0.576 -8.541 -3.422 1.00 0.00 H new ATOM 1573 N GLY B 126 0.188 -3.928 -4.295 1.00 0.00 N ATOM 1574 CA GLY B 126 0.511 -2.639 -3.695 1.00 0.00 C ATOM 1575 C GLY B 126 -0.364 -1.509 -4.227 1.00 0.00 C ATOM 1576 O GLY B 126 -0.596 -0.520 -3.530 1.00 0.00 O ATOM 0 H GLY B 126 0.803 -4.211 -5.058 1.00 0.00 H new ATOM 0 HA2 GLY B 126 0.394 -2.706 -2.613 1.00 0.00 H new ATOM 0 HA3 GLY B 126 1.558 -2.405 -3.888 1.00 0.00 H new ATOM 1580 N LEU B 127 -0.844 -1.656 -5.470 1.00 0.00 N ATOM 1581 CA LEU B 127 -1.686 -0.664 -6.106 1.00 0.00 C ATOM 1582 C LEU B 127 -3.044 -0.564 -5.407 1.00 0.00 C ATOM 1583 O LEU B 127 -3.381 0.482 -4.847 1.00 0.00 O ATOM 1584 CB LEU B 127 -1.872 -1.068 -7.567 1.00 0.00 C ATOM 1585 CG LEU B 127 -2.091 0.064 -8.553 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -2.878 -0.455 -9.736 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -2.812 1.217 -7.886 1.00 0.00 C ATOM 0 H LEU B 127 -0.652 -2.471 -6.053 1.00 0.00 H new ATOM 0 HA LEU B 127 -1.212 0.315 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -0.993 -1.631 -7.881 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -2.723 -1.746 -7.629 1.00 0.00 H new ATOM 0 HG LEU B 127 -1.127 0.435 -8.902 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -3.039 0.354 -10.449 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -2.322 -1.259 -10.219 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -3.841 -0.834 -9.394 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -2.960 2.020 -8.608 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -3.780 0.877 -7.518 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -2.215 1.585 -7.052 1.00 0.00 H new ATOM 1599 N VAL B 128 -3.810 -1.668 -5.422 1.00 0.00 N ATOM 1600 CA VAL B 128 -5.120 -1.713 -4.767 1.00 0.00 C ATOM 1601 C VAL B 128 -5.017 -1.127 -3.356 1.00 0.00 C ATOM 1602 O VAL B 128 -5.552 -0.068 -3.072 1.00 0.00 O ATOM 1603 CB VAL B 128 -5.653 -3.168 -4.696 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -6.644 -3.344 -3.558 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -6.294 -3.575 -6.012 1.00 0.00 C ATOM 0 H VAL B 128 -3.541 -2.538 -5.881 1.00 0.00 H new ATOM 0 HA VAL B 128 -5.819 -1.119 -5.356 1.00 0.00 H new ATOM 0 HB VAL B 128 -4.798 -3.817 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -6.996 -4.375 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -6.157 -3.109 -2.612 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -7.491 -2.674 -3.706 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -6.660 -4.599 -5.937 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -7.127 -2.907 -6.233 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -5.556 -3.511 -6.811 1.00 0.00 H new ATOM 1615 N SER B 129 -4.281 -1.830 -2.507 1.00 0.00 N ATOM 1616 CA SER B 129 -4.044 -1.437 -1.123 1.00 0.00 C ATOM 1617 C SER B 129 -3.623 0.034 -1.000 1.00 0.00 C ATOM 1618 O SER B 129 -4.023 0.706 -0.048 1.00 0.00 O ATOM 1619 CB SER B 129 -2.939 -2.319 -0.540 1.00 0.00 C ATOM 1620 OG SER B 129 -1.826 -2.379 -1.421 1.00 0.00 O ATOM 0 H SER B 129 -3.823 -2.705 -2.764 1.00 0.00 H new ATOM 0 HA SER B 129 -4.979 -1.563 -0.576 1.00 0.00 H new ATOM 0 HB2 SER B 129 -2.624 -1.924 0.426 1.00 0.00 H new ATOM 0 HB3 SER B 129 -3.324 -3.323 -0.364 1.00 0.00 H new ATOM 0 HG SER B 129 -2.015 -3.013 -2.144 1.00 0.00 H new ATOM 1626 N THR B 130 -2.864 0.558 -1.965 1.00 0.00 N ATOM 1627 CA THR B 130 -2.476 1.962 -1.917 1.00 0.00 C ATOM 1628 C THR B 130 -3.679 2.800 -2.264 1.00 0.00 C ATOM 1629 O THR B 130 -4.102 3.657 -1.485 1.00 0.00 O ATOM 1630 CB THR B 130 -1.347 2.279 -2.892 1.00 0.00 C ATOM 1631 OG1 THR B 130 -0.126 1.742 -2.427 1.00 0.00 O ATOM 1632 CG2 THR B 130 -1.153 3.769 -3.103 1.00 0.00 C ATOM 0 H THR B 130 -2.514 0.041 -2.772 1.00 0.00 H new ATOM 0 HA THR B 130 -2.115 2.184 -0.913 1.00 0.00 H new ATOM 0 HB THR B 130 -1.635 1.828 -3.841 1.00 0.00 H new ATOM 0 HG1 THR B 130 -0.138 0.767 -2.528 1.00 0.00 H new ATOM 0 HG21 THR B 130 -0.337 3.934 -3.806 1.00 0.00 H new ATOM 0 HG22 THR B 130 -2.070 4.202 -3.503 1.00 0.00 H new ATOM 0 HG23 THR B 130 -0.913 4.243 -2.151 1.00 0.00 H new ATOM 1640 N THR B 131 -4.247 2.525 -3.438 1.00 0.00 N ATOM 1641 CA THR B 131 -5.428 3.236 -3.882 1.00 0.00 C ATOM 1642 C THR B 131 -6.481 3.181 -2.781 1.00 0.00 C ATOM 1643 O THR B 131 -7.183 4.155 -2.513 1.00 0.00 O ATOM 1644 CB THR B 131 -5.969 2.638 -5.191 1.00 0.00 C ATOM 1645 OG1 THR B 131 -5.733 3.520 -6.270 1.00 0.00 O ATOM 1646 CG2 THR B 131 -7.455 2.345 -5.175 1.00 0.00 C ATOM 0 H THR B 131 -3.905 1.818 -4.089 1.00 0.00 H new ATOM 0 HA THR B 131 -5.170 4.276 -4.083 1.00 0.00 H new ATOM 0 HB THR B 131 -5.436 1.694 -5.305 1.00 0.00 H new ATOM 0 HG1 THR B 131 -4.861 3.320 -6.671 1.00 0.00 H new ATOM 0 HG21 THR B 131 -7.754 1.926 -6.136 1.00 0.00 H new ATOM 0 HG22 THR B 131 -7.676 1.630 -4.383 1.00 0.00 H new ATOM 0 HG23 THR B 131 -8.006 3.268 -4.995 1.00 0.00 H new ATOM 1654 N MET B 132 -6.551 2.016 -2.146 1.00 0.00 N ATOM 1655 CA MET B 132 -7.473 1.749 -1.058 1.00 0.00 C ATOM 1656 C MET B 132 -7.372 2.791 0.044 1.00 0.00 C ATOM 1657 O MET B 132 -8.367 3.383 0.408 1.00 0.00 O ATOM 1658 CB MET B 132 -7.201 0.364 -0.489 1.00 0.00 C ATOM 1659 CG MET B 132 -7.629 -0.748 -1.417 1.00 0.00 C ATOM 1660 SD MET B 132 -9.407 -0.889 -1.512 1.00 0.00 S ATOM 1661 CE MET B 132 -9.571 -2.403 -2.431 1.00 0.00 C ATOM 0 H MET B 132 -5.957 1.220 -2.380 1.00 0.00 H new ATOM 0 HA MET B 132 -8.485 1.796 -1.459 1.00 0.00 H new ATOM 0 HB2 MET B 132 -6.136 0.266 -0.280 1.00 0.00 H new ATOM 0 HB3 MET B 132 -7.724 0.258 0.462 1.00 0.00 H new ATOM 0 HG2 MET B 132 -7.226 -0.565 -2.413 1.00 0.00 H new ATOM 0 HG3 MET B 132 -7.208 -1.692 -1.071 1.00 0.00 H new ATOM 0 HE1 MET B 132 -10.526 -2.871 -2.193 1.00 0.00 H new ATOM 0 HE2 MET B 132 -9.528 -2.187 -3.499 1.00 0.00 H new ATOM 0 HE3 MET B 132 -8.759 -3.080 -2.165 1.00 0.00 H new ATOM 1671 N GLN B 133 -6.170 3.017 0.571 1.00 0.00 N ATOM 1672 CA GLN B 133 -5.983 4.009 1.636 1.00 0.00 C ATOM 1673 C GLN B 133 -6.491 5.378 1.191 1.00 0.00 C ATOM 1674 O GLN B 133 -7.227 6.049 1.921 1.00 0.00 O ATOM 1675 CB GLN B 133 -4.506 4.073 2.058 1.00 0.00 C ATOM 1676 CG GLN B 133 -3.781 5.362 1.673 1.00 0.00 C ATOM 1677 CD GLN B 133 -2.684 5.740 2.650 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -1.907 4.895 3.089 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -2.614 7.018 2.992 1.00 0.00 N ATOM 0 H GLN B 133 -5.318 2.535 0.284 1.00 0.00 H new ATOM 0 HA GLN B 133 -6.567 3.703 2.504 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.447 3.949 3.139 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -3.979 3.230 1.611 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -3.350 5.247 0.678 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.504 6.175 1.615 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -3.279 7.687 2.604 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -1.895 7.333 3.643 1.00 0.00 H new ATOM 1688 N ASN B 134 -6.109 5.776 -0.017 1.00 0.00 N ATOM 1689 CA ASN B 134 -6.540 7.055 -0.567 1.00 0.00 C ATOM 1690 C ASN B 134 -8.056 7.053 -0.761 1.00 0.00 C ATOM 1691 O ASN B 134 -8.762 7.914 -0.225 1.00 0.00 O ATOM 1692 CB ASN B 134 -5.814 7.338 -1.891 1.00 0.00 C ATOM 1693 CG ASN B 134 -4.338 7.625 -1.712 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -3.873 7.920 -0.612 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -3.585 7.534 -2.800 1.00 0.00 N ATOM 0 H ASN B 134 -5.503 5.233 -0.633 1.00 0.00 H new ATOM 0 HA ASN B 134 -6.284 7.850 0.133 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -5.933 6.481 -2.554 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -6.286 8.189 -2.382 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -2.582 7.711 -2.742 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -4.009 7.287 -3.694 1.00 0.00 H new ATOM 1702 N GLU B 135 -8.552 6.055 -1.492 1.00 0.00 N ATOM 1703 CA GLU B 135 -9.987 5.906 -1.724 1.00 0.00 C ATOM 1704 C GLU B 135 -10.716 5.669 -0.401 1.00 0.00 C ATOM 1705 O GLU B 135 -11.886 6.004 -0.259 1.00 0.00 O ATOM 1706 CB GLU B 135 -10.252 4.746 -2.688 1.00 0.00 C ATOM 1707 CG GLU B 135 -10.065 5.115 -4.151 1.00 0.00 C ATOM 1708 CD GLU B 135 -11.237 5.892 -4.717 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -12.322 5.296 -4.879 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -11.069 7.097 -4.996 1.00 0.00 O ATOM 0 H GLU B 135 -7.979 5.336 -1.934 1.00 0.00 H new ATOM 0 HA GLU B 135 -10.364 6.826 -2.172 1.00 0.00 H new ATOM 0 HB2 GLU B 135 -9.584 3.920 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU B 135 -11.270 4.387 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -9.157 5.708 -4.258 1.00 0.00 H new ATOM 0 HG3 GLU B 135 -9.922 4.206 -4.735 1.00 0.00 H new ATOM 1717 N ALA B 136 -10.011 5.096 0.570 1.00 0.00 N ATOM 1718 CA ALA B 136 -10.569 4.821 1.886 1.00 0.00 C ATOM 1719 C ALA B 136 -10.748 6.107 2.673 1.00 0.00 C ATOM 1720 O ALA B 136 -11.798 6.330 3.283 1.00 0.00 O ATOM 1721 CB ALA B 136 -9.663 3.875 2.648 1.00 0.00 C ATOM 0 H ALA B 136 -9.038 4.810 0.465 1.00 0.00 H new ATOM 0 HA ALA B 136 -11.546 4.355 1.754 1.00 0.00 H new ATOM 0 HB1 ALA B 136 -10.089 3.676 3.631 1.00 0.00 H new ATOM 0 HB2 ALA B 136 -9.568 2.939 2.097 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -8.679 4.329 2.765 1.00 0.00 H new ATOM 1727 N ARG B 137 -9.714 6.949 2.663 1.00 0.00 N ATOM 1728 CA ARG B 137 -9.771 8.211 3.386 1.00 0.00 C ATOM 1729 C ARG B 137 -10.709 9.190 2.720 1.00 0.00 C ATOM 1730 O ARG B 137 -11.614 9.735 3.350 1.00 0.00 O ATOM 1731 CB ARG B 137 -8.408 8.878 3.431 1.00 0.00 C ATOM 1732 CG ARG B 137 -7.764 8.891 4.807 1.00 0.00 C ATOM 1733 CD ARG B 137 -8.631 9.613 5.828 1.00 0.00 C ATOM 1734 NE ARG B 137 -8.510 9.014 7.160 1.00 0.00 N ATOM 1735 CZ ARG B 137 -7.514 9.258 8.002 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -6.543 10.089 7.672 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -7.490 8.667 9.180 1.00 0.00 N ATOM 0 H ARG B 137 -8.839 6.780 2.167 1.00 0.00 H new ATOM 0 HA ARG B 137 -10.120 7.967 4.389 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -7.743 8.366 2.736 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -8.507 9.905 3.079 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -7.590 7.867 5.137 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -6.790 9.377 4.748 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -8.342 10.663 5.873 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -9.673 9.582 5.508 1.00 0.00 H new ATOM 0 HE ARG B 137 -9.239 8.367 7.460 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -6.554 10.550 6.762 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -5.782 10.270 8.327 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -8.236 8.023 9.443 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -6.725 8.853 9.829 1.00 0.00 H new ATOM 1751 N ARG B 138 -10.432 9.457 1.451 1.00 0.00 N ATOM 1752 CA ARG B 138 -11.199 10.429 0.707 1.00 0.00 C ATOM 1753 C ARG B 138 -12.500 9.871 0.104 1.00 0.00 C ATOM 1754 O ARG B 138 -13.487 10.595 0.015 1.00 0.00 O ATOM 1755 CB ARG B 138 -10.338 11.053 -0.390 1.00 0.00 C ATOM 1756 CG ARG B 138 -10.280 12.574 -0.326 1.00 0.00 C ATOM 1757 CD ARG B 138 -11.270 13.213 -1.288 1.00 0.00 C ATOM 1758 NE ARG B 138 -11.772 14.499 -0.785 1.00 0.00 N ATOM 1759 CZ ARG B 138 -12.168 15.509 -1.554 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -12.125 15.421 -2.872 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -12.608 16.619 -0.995 1.00 0.00 N ATOM 0 H ARG B 138 -9.682 9.012 0.922 1.00 0.00 H new ATOM 0 HA ARG B 138 -11.501 11.189 1.428 1.00 0.00 H new ATOM 0 HB2 ARG B 138 -9.326 10.655 -0.317 1.00 0.00 H new ATOM 0 HB3 ARG B 138 -10.729 10.753 -1.362 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -10.494 12.904 0.690 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -9.271 12.911 -0.564 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -10.790 13.364 -2.255 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -12.108 12.535 -1.450 1.00 0.00 H new ATOM 0 HE ARG B 138 -11.820 14.626 0.226 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -11.784 14.568 -3.315 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -12.433 16.206 -3.446 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -12.643 16.699 0.021 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -12.913 17.398 -1.579 1.00 0.00 H new