USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 738 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 91 ASN : amide:sc= 0.024 X(o=0.049,f=0) USER MOD Set 1.2: A 92 SER OG : rot -90:sc= 0.0253 USER MOD Set 2.1: A 84 HIS : no HD1:sc= -10.7! C(o=-11!,f=-14!) USER MOD Set 2.2: A 86 MET CE :methyl -121:sc= -0.226 (180deg=-0.235) USER MOD Set 3.1: A 32 ASN : amide:sc= -1.45 K(o=-3.1,f=-4.6) USER MOD Set 3.2: A 76 MET CE :methyl -151:sc= -1.65 (180deg=-0.442) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 46:sc= 0.903 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.251 USER MOD Single : A 13 THR OG1 : rot 175:sc= -0.811 USER MOD Single : A 14 MET CE :methyl -153:sc= -4.27! (180deg=-4.3!) USER MOD Single : A 15 LYS NZ :NH3+ 160:sc= -0.0504 (180deg=-0.303) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.648 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 169:sc= -1.12 (180deg=-1.29) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.926 USER MOD Single : A 38 CYS SG : rot 180:sc= -0.828 USER MOD Single : A 43 HIS : no HD1:sc= -0.605 X(o=-0.6,f=-0.12) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.7) USER MOD Single : A 51 ASN : amide:sc= -0.25 K(o=-0.25,f=-1.7!) USER MOD Single : A 53 THR OG1 : rot -45:sc= 1.03 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -125:sc= -1.45! (180deg=-3.47!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0782 USER MOD Single : A 67 SER OG : rot -44:sc= 0.0492 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -157:sc= -1.74 (180deg=-2.76!) USER MOD Single : A 82 MET CE :methyl -111:sc= -1.03 (180deg=-2.3!) USER MOD Single : A 85 HIS :FLIP no HD1:sc=-0.00242 F(o=-0.51,f=-0.0024) USER MOD Single : A 89 HIS :FLIP no HD1:sc= -0.0207 F(o=-0.71,f=-0.021) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.828 -2.368 -28.886 1.00 0.00 N ATOM 2 CA GLY A 1 -11.354 -3.640 -28.372 1.00 0.00 C ATOM 3 C GLY A 1 -10.598 -3.492 -27.066 1.00 0.00 C ATOM 4 O GLY A 1 -9.549 -2.849 -27.018 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.338 -2.523 -29.779 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.468 -1.930 -28.193 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.018 -1.738 -29.055 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.203 -4.307 -28.223 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.706 -4.109 -29.112 1.00 0.00 H new ATOM 8 N SER A 2 -11.131 -4.087 -26.004 1.00 0.00 N ATOM 9 CA SER A 2 -10.503 -4.014 -24.691 1.00 0.00 C ATOM 10 C SER A 2 -9.241 -4.871 -24.643 1.00 0.00 C ATOM 11 O SER A 2 -9.311 -6.089 -24.477 1.00 0.00 O ATOM 12 CB SER A 2 -11.483 -4.468 -23.607 1.00 0.00 C ATOM 13 OG SER A 2 -12.613 -3.615 -23.552 1.00 0.00 O ATOM 0 H SER A 2 -11.997 -4.625 -26.028 1.00 0.00 H new ATOM 0 HA SER A 2 -10.224 -2.977 -24.507 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.804 -5.490 -23.808 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.982 -4.476 -22.639 1.00 0.00 H new ATOM 0 HG SER A 2 -13.225 -3.927 -22.853 1.00 0.00 H new ATOM 19 N SER A 3 -8.089 -4.225 -24.790 1.00 0.00 N ATOM 20 CA SER A 3 -6.811 -4.928 -24.768 1.00 0.00 C ATOM 21 C SER A 3 -5.747 -4.097 -24.056 1.00 0.00 C ATOM 22 O SER A 3 -5.825 -2.870 -24.016 1.00 0.00 O ATOM 23 CB SER A 3 -6.356 -5.247 -26.193 1.00 0.00 C ATOM 24 OG SER A 3 -6.242 -4.067 -26.968 1.00 0.00 O ATOM 0 H SER A 3 -8.014 -3.217 -24.926 1.00 0.00 H new ATOM 0 HA SER A 3 -6.946 -5.861 -24.220 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.395 -5.761 -26.165 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.068 -5.926 -26.662 1.00 0.00 H new ATOM 0 HG SER A 3 -5.948 -4.298 -27.874 1.00 0.00 H new ATOM 30 N GLY A 4 -4.752 -4.778 -23.495 1.00 0.00 N ATOM 31 CA GLY A 4 -3.686 -4.088 -22.791 1.00 0.00 C ATOM 32 C GLY A 4 -2.615 -3.566 -23.729 1.00 0.00 C ATOM 33 O GLY A 4 -2.738 -3.683 -24.948 1.00 0.00 O ATOM 0 H GLY A 4 -4.665 -5.794 -23.515 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.107 -3.256 -22.226 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.233 -4.767 -22.069 1.00 0.00 H new ATOM 37 N SER A 5 -1.563 -2.987 -23.159 1.00 0.00 N ATOM 38 CA SER A 5 -0.469 -2.441 -23.952 1.00 0.00 C ATOM 39 C SER A 5 0.786 -3.297 -23.809 1.00 0.00 C ATOM 40 O SER A 5 1.895 -2.778 -23.687 1.00 0.00 O ATOM 41 CB SER A 5 -0.169 -1.003 -23.526 1.00 0.00 C ATOM 42 OG SER A 5 0.161 -0.937 -22.149 1.00 0.00 O ATOM 0 H SER A 5 -1.446 -2.884 -22.151 1.00 0.00 H new ATOM 0 HA SER A 5 -0.775 -2.446 -24.998 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.656 -0.609 -24.120 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.036 -0.373 -23.726 1.00 0.00 H new ATOM 0 HG SER A 5 0.350 -0.008 -21.902 1.00 0.00 H new ATOM 48 N SER A 6 0.601 -4.614 -23.823 1.00 0.00 N ATOM 49 CA SER A 6 1.717 -5.544 -23.691 1.00 0.00 C ATOM 50 C SER A 6 2.867 -5.147 -24.612 1.00 0.00 C ATOM 51 O SER A 6 2.777 -5.286 -25.831 1.00 0.00 O ATOM 52 CB SER A 6 1.261 -6.969 -24.011 1.00 0.00 C ATOM 53 OG SER A 6 0.843 -7.080 -25.360 1.00 0.00 O ATOM 0 H SER A 6 -0.310 -5.060 -23.924 1.00 0.00 H new ATOM 0 HA SER A 6 2.070 -5.506 -22.660 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.077 -7.666 -23.821 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.442 -7.249 -23.349 1.00 0.00 H new ATOM 0 HG SER A 6 1.500 -6.646 -25.943 1.00 0.00 H new ATOM 59 N GLY A 7 3.948 -4.651 -24.018 1.00 0.00 N ATOM 60 CA GLY A 7 5.101 -4.241 -24.798 1.00 0.00 C ATOM 61 C GLY A 7 5.813 -3.046 -24.196 1.00 0.00 C ATOM 62 O GLY A 7 5.177 -2.149 -23.644 1.00 0.00 O ATOM 0 H GLY A 7 4.046 -4.526 -23.010 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.799 -5.075 -24.875 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.782 -3.997 -25.811 1.00 0.00 H new ATOM 66 N MET A 8 7.138 -3.035 -24.300 1.00 0.00 N ATOM 67 CA MET A 8 7.937 -1.941 -23.761 1.00 0.00 C ATOM 68 C MET A 8 8.175 -0.868 -24.819 1.00 0.00 C ATOM 69 O MET A 8 8.988 -1.047 -25.727 1.00 0.00 O ATOM 70 CB MET A 8 9.277 -2.467 -23.242 1.00 0.00 C ATOM 71 CG MET A 8 9.162 -3.782 -22.488 1.00 0.00 C ATOM 72 SD MET A 8 8.880 -3.549 -20.723 1.00 0.00 S ATOM 73 CE MET A 8 7.587 -4.751 -20.424 1.00 0.00 C ATOM 0 H MET A 8 7.681 -3.771 -24.752 1.00 0.00 H new ATOM 0 HA MET A 8 7.385 -1.495 -22.934 1.00 0.00 H new ATOM 0 HB2 MET A 8 9.957 -2.598 -24.084 1.00 0.00 H new ATOM 0 HB3 MET A 8 9.722 -1.719 -22.586 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.344 -4.367 -22.908 1.00 0.00 H new ATOM 0 HG3 MET A 8 10.075 -4.360 -22.633 1.00 0.00 H new ATOM 0 HE1 MET A 8 7.304 -4.727 -19.372 1.00 0.00 H new ATOM 0 HE2 MET A 8 6.719 -4.512 -21.039 1.00 0.00 H new ATOM 0 HE3 MET A 8 7.950 -5.747 -20.679 1.00 0.00 H new ATOM 83 N LEU A 9 7.461 0.245 -24.697 1.00 0.00 N ATOM 84 CA LEU A 9 7.594 1.347 -25.643 1.00 0.00 C ATOM 85 C LEU A 9 8.529 2.422 -25.098 1.00 0.00 C ATOM 86 O LEU A 9 9.441 2.875 -25.790 1.00 0.00 O ATOM 87 CB LEU A 9 6.223 1.954 -25.947 1.00 0.00 C ATOM 88 CG LEU A 9 5.464 1.341 -27.124 1.00 0.00 C ATOM 89 CD1 LEU A 9 6.113 1.734 -28.442 1.00 0.00 C ATOM 90 CD2 LEU A 9 5.404 -0.174 -26.989 1.00 0.00 C ATOM 0 H LEU A 9 6.784 0.408 -23.952 1.00 0.00 H new ATOM 0 HA LEU A 9 8.021 0.952 -26.565 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.603 1.866 -25.055 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.354 3.019 -26.140 1.00 0.00 H new ATOM 0 HG LEU A 9 4.445 1.728 -27.115 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.559 1.288 -29.268 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.104 2.819 -28.543 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.143 1.377 -28.461 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.860 -0.593 -27.835 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.416 -0.578 -26.972 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.893 -0.437 -26.063 1.00 0.00 H new ATOM 102 N SER A 10 8.296 2.826 -23.853 1.00 0.00 N ATOM 103 CA SER A 10 9.117 3.848 -23.215 1.00 0.00 C ATOM 104 C SER A 10 10.593 3.642 -23.542 1.00 0.00 C ATOM 105 O SER A 10 11.270 4.557 -24.011 1.00 0.00 O ATOM 106 CB SER A 10 8.911 3.825 -21.699 1.00 0.00 C ATOM 107 OG SER A 10 9.345 2.595 -21.145 1.00 0.00 O ATOM 0 H SER A 10 7.546 2.461 -23.266 1.00 0.00 H new ATOM 0 HA SER A 10 8.809 4.819 -23.602 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.460 4.648 -21.241 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.857 3.979 -21.470 1.00 0.00 H new ATOM 0 HG SER A 10 9.205 2.605 -20.175 1.00 0.00 H new ATOM 113 N ALA A 11 11.085 2.433 -23.291 1.00 0.00 N ATOM 114 CA ALA A 11 12.480 2.105 -23.560 1.00 0.00 C ATOM 115 C ALA A 11 12.626 1.383 -24.895 1.00 0.00 C ATOM 116 O ALA A 11 12.484 0.163 -24.971 1.00 0.00 O ATOM 117 CB ALA A 11 13.049 1.255 -22.434 1.00 0.00 C ATOM 0 H ALA A 11 10.538 1.665 -22.902 1.00 0.00 H new ATOM 0 HA ALA A 11 13.042 3.037 -23.617 1.00 0.00 H new ATOM 0 HB1 ALA A 11 14.091 1.018 -22.648 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.988 1.806 -21.496 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.476 0.331 -22.350 1.00 0.00 H new ATOM 123 N ARG A 12 12.910 2.145 -25.947 1.00 0.00 N ATOM 124 CA ARG A 12 13.074 1.578 -27.280 1.00 0.00 C ATOM 125 C ARG A 12 14.541 1.593 -27.700 1.00 0.00 C ATOM 126 O ARG A 12 15.037 0.637 -28.298 1.00 0.00 O ATOM 127 CB ARG A 12 12.234 2.355 -28.295 1.00 0.00 C ATOM 128 CG ARG A 12 11.884 1.553 -29.537 1.00 0.00 C ATOM 129 CD ARG A 12 10.610 2.064 -30.190 1.00 0.00 C ATOM 130 NE ARG A 12 10.883 3.083 -31.200 1.00 0.00 N ATOM 131 CZ ARG A 12 11.047 4.371 -30.918 1.00 0.00 C ATOM 132 NH1 ARG A 12 10.967 4.795 -29.664 1.00 0.00 N ATOM 133 NH2 ARG A 12 11.293 5.238 -31.892 1.00 0.00 N ATOM 0 H ARG A 12 13.031 3.157 -25.901 1.00 0.00 H new ATOM 0 HA ARG A 12 12.732 0.543 -27.252 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.313 2.685 -27.815 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.777 3.252 -28.593 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.707 1.607 -30.250 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.762 0.503 -29.271 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.079 1.231 -30.650 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.952 2.478 -29.426 1.00 0.00 H new ATOM 0 HE ARG A 12 10.951 2.790 -32.175 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.779 4.132 -28.912 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.093 5.784 -29.451 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.356 4.916 -32.858 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.419 6.227 -31.675 1.00 0.00 H new ATOM 147 N THR A 13 15.231 2.684 -27.384 1.00 0.00 N ATOM 148 CA THR A 13 16.640 2.825 -27.731 1.00 0.00 C ATOM 149 C THR A 13 17.326 3.852 -26.838 1.00 0.00 C ATOM 150 O THR A 13 16.666 4.667 -26.194 1.00 0.00 O ATOM 151 CB THR A 13 16.817 3.241 -29.203 1.00 0.00 C ATOM 152 OG1 THR A 13 18.088 2.796 -29.689 1.00 0.00 O ATOM 153 CG2 THR A 13 16.712 4.751 -29.355 1.00 0.00 C ATOM 0 H THR A 13 14.837 3.483 -26.888 1.00 0.00 H new ATOM 0 HA THR A 13 17.102 1.850 -27.579 1.00 0.00 H new ATOM 0 HB THR A 13 16.022 2.776 -29.786 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.159 2.992 -30.647 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.840 5.021 -30.403 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.733 5.084 -29.012 1.00 0.00 H new ATOM 0 HG23 THR A 13 17.488 5.232 -28.759 1.00 0.00 H new ATOM 161 N MET A 14 18.654 3.808 -26.805 1.00 0.00 N ATOM 162 CA MET A 14 19.429 4.737 -25.992 1.00 0.00 C ATOM 163 C MET A 14 20.558 5.361 -26.806 1.00 0.00 C ATOM 164 O MET A 14 21.453 6.003 -26.256 1.00 0.00 O ATOM 165 CB MET A 14 20.003 4.021 -24.768 1.00 0.00 C ATOM 166 CG MET A 14 20.263 2.541 -24.996 1.00 0.00 C ATOM 167 SD MET A 14 20.458 1.625 -23.456 1.00 0.00 S ATOM 168 CE MET A 14 21.587 2.694 -22.566 1.00 0.00 C ATOM 0 H MET A 14 19.215 3.139 -27.332 1.00 0.00 H new ATOM 0 HA MET A 14 18.762 5.532 -25.659 1.00 0.00 H new ATOM 0 HB2 MET A 14 20.936 4.505 -24.479 1.00 0.00 H new ATOM 0 HB3 MET A 14 19.312 4.136 -23.933 1.00 0.00 H new ATOM 0 HG2 MET A 14 19.437 2.115 -25.566 1.00 0.00 H new ATOM 0 HG3 MET A 14 21.162 2.423 -25.601 1.00 0.00 H new ATOM 0 HE1 MET A 14 22.168 2.102 -21.859 1.00 0.00 H new ATOM 0 HE2 MET A 14 22.260 3.180 -23.272 1.00 0.00 H new ATOM 0 HE3 MET A 14 21.020 3.452 -22.025 1.00 0.00 H new ATOM 178 N LYS A 15 20.511 5.168 -28.120 1.00 0.00 N ATOM 179 CA LYS A 15 21.528 5.713 -29.011 1.00 0.00 C ATOM 180 C LYS A 15 21.564 7.235 -28.930 1.00 0.00 C ATOM 181 O LYS A 15 22.628 7.846 -29.027 1.00 0.00 O ATOM 182 CB LYS A 15 21.260 5.274 -30.453 1.00 0.00 C ATOM 183 CG LYS A 15 21.154 3.768 -30.621 1.00 0.00 C ATOM 184 CD LYS A 15 21.287 3.359 -32.078 1.00 0.00 C ATOM 185 CE LYS A 15 22.743 3.173 -32.474 1.00 0.00 C ATOM 186 NZ LYS A 15 23.345 1.974 -31.828 1.00 0.00 N ATOM 0 H LYS A 15 19.778 4.638 -28.592 1.00 0.00 H new ATOM 0 HA LYS A 15 22.497 5.328 -28.694 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.335 5.736 -30.798 1.00 0.00 H new ATOM 0 HB3 LYS A 15 22.060 5.647 -31.092 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.931 3.280 -30.033 1.00 0.00 H new ATOM 0 HG3 LYS A 15 20.196 3.424 -30.232 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.741 2.431 -32.248 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.830 4.118 -32.713 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.815 3.076 -33.557 1.00 0.00 H new ATOM 0 HE3 LYS A 15 23.311 4.060 -32.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 24.192 1.683 -32.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.611 2.204 -30.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.654 1.197 -31.826 1.00 0.00 H new ATOM 200 N GLU A 16 20.394 7.842 -28.750 1.00 0.00 N ATOM 201 CA GLU A 16 20.294 9.293 -28.656 1.00 0.00 C ATOM 202 C GLU A 16 20.105 9.732 -27.206 1.00 0.00 C ATOM 203 O GLU A 16 20.855 10.564 -26.695 1.00 0.00 O ATOM 204 CB GLU A 16 19.131 9.803 -29.510 1.00 0.00 C ATOM 205 CG GLU A 16 18.016 8.786 -29.689 1.00 0.00 C ATOM 206 CD GLU A 16 16.804 9.367 -30.392 1.00 0.00 C ATOM 207 OE1 GLU A 16 16.892 9.623 -31.611 1.00 0.00 O ATOM 208 OE2 GLU A 16 15.769 9.567 -29.723 1.00 0.00 O ATOM 0 H GLU A 16 19.504 7.351 -28.667 1.00 0.00 H new ATOM 0 HA GLU A 16 21.224 9.721 -29.029 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.721 10.702 -29.051 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.510 10.091 -30.491 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.391 7.938 -30.261 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.717 8.405 -28.713 1.00 0.00 H new ATOM 215 N VAL A 17 19.097 9.167 -26.550 1.00 0.00 N ATOM 216 CA VAL A 17 18.808 9.498 -25.159 1.00 0.00 C ATOM 217 C VAL A 17 18.947 10.996 -24.911 1.00 0.00 C ATOM 218 O VAL A 17 19.198 11.430 -23.787 1.00 0.00 O ATOM 219 CB VAL A 17 19.743 8.741 -24.197 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.143 9.334 -24.235 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.183 8.766 -22.782 1.00 0.00 C ATOM 0 H VAL A 17 18.466 8.478 -26.959 1.00 0.00 H new ATOM 0 HA VAL A 17 17.779 9.195 -24.968 1.00 0.00 H new ATOM 0 HB VAL A 17 19.806 7.702 -24.521 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.789 8.786 -23.549 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.542 9.260 -25.247 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.103 10.382 -23.937 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.856 8.227 -22.115 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.089 9.799 -22.446 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.202 8.290 -22.770 1.00 0.00 H new ATOM 231 N VAL A 18 18.780 11.783 -25.969 1.00 0.00 N ATOM 232 CA VAL A 18 18.884 13.234 -25.867 1.00 0.00 C ATOM 233 C VAL A 18 17.563 13.907 -26.223 1.00 0.00 C ATOM 234 O VAL A 18 17.166 14.890 -25.597 1.00 0.00 O ATOM 235 CB VAL A 18 19.991 13.784 -26.786 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.362 13.347 -26.290 1.00 0.00 C ATOM 237 CG2 VAL A 18 19.765 13.332 -28.220 1.00 0.00 C ATOM 0 H VAL A 18 18.572 11.440 -26.907 1.00 0.00 H new ATOM 0 HA VAL A 18 19.136 13.460 -24.831 1.00 0.00 H new ATOM 0 HB VAL A 18 19.952 14.873 -26.762 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.132 13.745 -26.951 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.521 13.725 -25.280 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.416 12.258 -26.283 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.556 13.730 -28.856 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.777 12.243 -28.264 1.00 0.00 H new ATOM 0 HG23 VAL A 18 18.800 13.699 -28.569 1.00 0.00 H new ATOM 247 N TYR A 19 16.886 13.370 -27.232 1.00 0.00 N ATOM 248 CA TYR A 19 15.609 13.920 -27.674 1.00 0.00 C ATOM 249 C TYR A 19 14.457 13.351 -26.851 1.00 0.00 C ATOM 250 O TYR A 19 13.290 13.641 -27.114 1.00 0.00 O ATOM 251 CB TYR A 19 15.388 13.621 -29.157 1.00 0.00 C ATOM 252 CG TYR A 19 16.592 13.920 -30.021 1.00 0.00 C ATOM 253 CD1 TYR A 19 16.817 15.199 -30.515 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.505 12.924 -30.345 1.00 0.00 C ATOM 255 CE1 TYR A 19 17.916 15.477 -31.306 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.607 13.193 -31.133 1.00 0.00 C ATOM 257 CZ TYR A 19 18.808 14.471 -31.611 1.00 0.00 C ATOM 258 OH TYR A 19 19.903 14.742 -32.398 1.00 0.00 O ATOM 0 H TYR A 19 17.200 12.555 -27.759 1.00 0.00 H new ATOM 0 HA TYR A 19 15.637 15.000 -27.528 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.121 12.570 -29.271 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.540 14.206 -29.515 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.121 15.990 -30.277 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.350 11.922 -29.974 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.075 16.477 -31.683 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.307 12.407 -31.374 1.00 0.00 H new ATOM 0 HH TYR A 19 20.431 13.925 -32.516 1.00 0.00 H new ATOM 268 N TRP A 20 14.794 12.539 -25.855 1.00 0.00 N ATOM 269 CA TRP A 20 13.788 11.929 -24.993 1.00 0.00 C ATOM 270 C TRP A 20 12.840 12.983 -24.433 1.00 0.00 C ATOM 271 O TRP A 20 13.024 14.180 -24.657 1.00 0.00 O ATOM 272 CB TRP A 20 14.461 11.170 -23.848 1.00 0.00 C ATOM 273 CG TRP A 20 14.914 9.794 -24.233 1.00 0.00 C ATOM 274 CD1 TRP A 20 14.834 9.221 -25.470 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.514 8.818 -23.375 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.349 7.948 -25.433 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.774 7.677 -24.159 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.860 8.798 -22.021 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.361 6.530 -23.632 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.442 7.658 -21.499 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.689 6.538 -22.303 1.00 0.00 C ATOM 0 H TRP A 20 15.755 12.288 -25.625 1.00 0.00 H new ATOM 0 HA TRP A 20 13.208 11.228 -25.593 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.320 11.743 -23.497 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.765 11.095 -23.013 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.426 9.699 -26.348 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.406 7.308 -26.225 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.676 9.658 -21.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.551 5.665 -24.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.711 7.630 -20.453 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.147 5.663 -21.866 1.00 0.00 H new ATOM 292 N SER A 21 11.826 12.532 -23.702 1.00 0.00 N ATOM 293 CA SER A 21 10.846 13.437 -23.112 1.00 0.00 C ATOM 294 C SER A 21 11.056 13.558 -21.605 1.00 0.00 C ATOM 295 O SER A 21 11.796 12.787 -20.992 1.00 0.00 O ATOM 296 CB SER A 21 9.427 12.947 -23.403 1.00 0.00 C ATOM 297 OG SER A 21 8.835 12.384 -22.245 1.00 0.00 O ATOM 0 H SER A 21 11.661 11.545 -23.504 1.00 0.00 H new ATOM 0 HA SER A 21 10.981 14.421 -23.560 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.818 13.778 -23.760 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.452 12.204 -24.201 1.00 0.00 H new ATOM 0 HG SER A 21 7.928 12.080 -22.456 1.00 0.00 H new ATOM 303 N PRO A 22 10.390 14.548 -20.993 1.00 0.00 N ATOM 304 CA PRO A 22 10.486 14.793 -19.551 1.00 0.00 C ATOM 305 C PRO A 22 9.812 13.700 -18.730 1.00 0.00 C ATOM 306 O PRO A 22 10.016 13.602 -17.520 1.00 0.00 O ATOM 307 CB PRO A 22 9.756 16.126 -19.369 1.00 0.00 C ATOM 308 CG PRO A 22 8.808 16.199 -20.516 1.00 0.00 C ATOM 309 CD PRO A 22 9.491 15.503 -21.662 1.00 0.00 C ATOM 0 HA PRO A 22 11.521 14.807 -19.208 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.228 16.161 -18.416 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.453 16.964 -19.378 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.863 15.714 -20.273 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.580 17.234 -20.768 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.775 14.996 -22.309 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.043 16.205 -22.287 1.00 0.00 H new ATOM 317 N LYS A 23 9.008 12.878 -19.396 1.00 0.00 N ATOM 318 CA LYS A 23 8.304 11.789 -18.729 1.00 0.00 C ATOM 319 C LYS A 23 9.067 10.476 -18.877 1.00 0.00 C ATOM 320 O LYS A 23 8.897 9.554 -18.080 1.00 0.00 O ATOM 321 CB LYS A 23 6.893 11.638 -19.304 1.00 0.00 C ATOM 322 CG LYS A 23 5.862 12.522 -18.623 1.00 0.00 C ATOM 323 CD LYS A 23 5.456 11.964 -17.269 1.00 0.00 C ATOM 324 CE LYS A 23 4.480 10.806 -17.413 1.00 0.00 C ATOM 325 NZ LYS A 23 4.088 10.244 -16.091 1.00 0.00 N ATOM 0 H LYS A 23 8.828 12.945 -20.398 1.00 0.00 H new ATOM 0 HA LYS A 23 8.234 12.031 -17.669 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.916 11.874 -20.368 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.583 10.597 -19.215 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.268 13.526 -18.497 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.982 12.612 -19.259 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.343 11.629 -16.732 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.000 12.753 -16.671 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.589 11.145 -17.942 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.933 10.023 -18.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.422 9.457 -16.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.935 9.897 -15.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.633 10.985 -15.520 1.00 0.00 H new ATOM 339 N LYS A 24 9.910 10.400 -19.901 1.00 0.00 N ATOM 340 CA LYS A 24 10.702 9.201 -20.153 1.00 0.00 C ATOM 341 C LYS A 24 11.913 9.145 -19.227 1.00 0.00 C ATOM 342 O LYS A 24 12.118 8.161 -18.516 1.00 0.00 O ATOM 343 CB LYS A 24 11.160 9.165 -21.612 1.00 0.00 C ATOM 344 CG LYS A 24 12.331 8.229 -21.860 1.00 0.00 C ATOM 345 CD LYS A 24 12.006 6.807 -21.435 1.00 0.00 C ATOM 346 CE LYS A 24 13.178 5.870 -21.686 1.00 0.00 C ATOM 347 NZ LYS A 24 13.128 4.671 -20.803 1.00 0.00 N ATOM 0 H LYS A 24 10.063 11.154 -20.570 1.00 0.00 H new ATOM 0 HA LYS A 24 10.074 8.332 -19.954 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.323 8.860 -22.239 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.439 10.172 -21.921 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.592 8.243 -22.918 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.204 8.583 -21.312 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.747 6.792 -20.376 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.132 6.453 -21.982 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.173 5.553 -22.729 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.113 6.405 -21.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.943 4.057 -21.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.158 4.971 -19.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.248 4.146 -20.980 1.00 0.00 H new ATOM 361 N VAL A 25 12.712 10.207 -19.240 1.00 0.00 N ATOM 362 CA VAL A 25 13.902 10.279 -18.400 1.00 0.00 C ATOM 363 C VAL A 25 13.640 9.677 -17.024 1.00 0.00 C ATOM 364 O VAL A 25 14.505 9.017 -16.449 1.00 0.00 O ATOM 365 CB VAL A 25 14.382 11.732 -18.230 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.559 11.797 -17.268 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.751 12.332 -19.578 1.00 0.00 C ATOM 0 H VAL A 25 12.557 11.030 -19.823 1.00 0.00 H new ATOM 0 HA VAL A 25 14.680 9.704 -18.903 1.00 0.00 H new ATOM 0 HB VAL A 25 13.566 12.319 -17.808 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.884 12.832 -17.161 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.256 11.409 -16.296 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.381 11.197 -17.658 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.088 13.359 -19.439 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.551 11.746 -20.031 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.879 12.322 -20.232 1.00 0.00 H new ATOM 377 N ALA A 26 12.441 9.909 -16.501 1.00 0.00 N ATOM 378 CA ALA A 26 12.063 9.388 -15.193 1.00 0.00 C ATOM 379 C ALA A 26 11.986 7.865 -15.210 1.00 0.00 C ATOM 380 O ALA A 26 12.699 7.189 -14.468 1.00 0.00 O ATOM 381 CB ALA A 26 10.734 9.981 -14.752 1.00 0.00 C ATOM 0 H ALA A 26 11.714 10.455 -16.963 1.00 0.00 H new ATOM 0 HA ALA A 26 12.832 9.679 -14.478 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.465 9.583 -13.774 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.822 11.066 -14.691 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.961 9.720 -15.475 1.00 0.00 H new ATOM 387 N ASP A 27 11.116 7.331 -16.061 1.00 0.00 N ATOM 388 CA ASP A 27 10.946 5.887 -16.174 1.00 0.00 C ATOM 389 C ASP A 27 12.297 5.180 -16.186 1.00 0.00 C ATOM 390 O ASP A 27 12.440 4.085 -15.643 1.00 0.00 O ATOM 391 CB ASP A 27 10.165 5.543 -17.443 1.00 0.00 C ATOM 392 CG ASP A 27 8.667 5.520 -17.213 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.179 6.330 -16.396 1.00 0.00 O ATOM 394 OD2 ASP A 27 7.981 4.693 -17.849 1.00 0.00 O ATOM 0 H ASP A 27 10.518 7.876 -16.682 1.00 0.00 H new ATOM 0 HA ASP A 27 10.384 5.543 -15.306 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.399 6.272 -18.219 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.488 4.570 -17.812 1.00 0.00 H new ATOM 399 N TRP A 28 13.285 5.812 -16.810 1.00 0.00 N ATOM 400 CA TRP A 28 14.625 5.243 -16.893 1.00 0.00 C ATOM 401 C TRP A 28 15.267 5.158 -15.513 1.00 0.00 C ATOM 402 O TRP A 28 16.002 4.216 -15.216 1.00 0.00 O ATOM 403 CB TRP A 28 15.500 6.081 -17.826 1.00 0.00 C ATOM 404 CG TRP A 28 16.926 5.621 -17.875 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.421 4.560 -18.579 1.00 0.00 C ATOM 406 CD2 TRP A 28 18.039 6.206 -17.192 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.775 4.451 -18.374 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.179 5.449 -17.527 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.185 7.297 -16.331 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.444 5.749 -17.030 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.442 7.594 -15.838 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.558 6.823 -16.189 1.00 0.00 C ATOM 0 H TRP A 28 13.183 6.719 -17.266 1.00 0.00 H new ATOM 0 HA TRP A 28 14.540 4.234 -17.296 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.081 6.049 -18.832 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.472 7.121 -17.502 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.834 3.904 -19.205 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.381 3.742 -18.786 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.331 7.898 -16.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.305 5.155 -17.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.566 8.434 -15.171 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.527 7.081 -15.788 1.00 0.00 H new ATOM 423 N LEU A 29 14.985 6.147 -14.673 1.00 0.00 N ATOM 424 CA LEU A 29 15.536 6.184 -13.322 1.00 0.00 C ATOM 425 C LEU A 29 14.974 5.048 -12.474 1.00 0.00 C ATOM 426 O LEU A 29 15.714 4.175 -12.018 1.00 0.00 O ATOM 427 CB LEU A 29 15.228 7.529 -12.661 1.00 0.00 C ATOM 428 CG LEU A 29 15.774 8.767 -13.373 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.148 10.031 -12.803 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.291 8.823 -13.259 1.00 0.00 C ATOM 0 H LEU A 29 14.378 6.934 -14.903 1.00 0.00 H new ATOM 0 HA LEU A 29 16.617 6.060 -13.393 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.146 7.630 -12.577 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.627 7.512 -11.647 1.00 0.00 H new ATOM 0 HG LEU A 29 15.511 8.700 -14.429 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.549 10.902 -13.322 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.067 9.994 -12.938 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.379 10.104 -11.740 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.662 9.711 -13.772 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.576 8.866 -12.208 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.723 7.933 -13.716 1.00 0.00 H new ATOM 442 N LEU A 30 13.662 5.063 -12.268 1.00 0.00 N ATOM 443 CA LEU A 30 13.000 4.032 -11.477 1.00 0.00 C ATOM 444 C LEU A 30 13.333 2.641 -12.006 1.00 0.00 C ATOM 445 O LEU A 30 13.406 1.677 -11.244 1.00 0.00 O ATOM 446 CB LEU A 30 11.485 4.245 -11.489 1.00 0.00 C ATOM 447 CG LEU A 30 11.009 5.685 -11.295 1.00 0.00 C ATOM 448 CD1 LEU A 30 11.950 6.438 -10.368 1.00 0.00 C ATOM 449 CD2 LEU A 30 10.897 6.395 -12.636 1.00 0.00 C ATOM 0 H LEU A 30 13.035 5.778 -12.638 1.00 0.00 H new ATOM 0 HA LEU A 30 13.363 4.107 -10.452 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.094 3.879 -12.438 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.045 3.629 -10.704 1.00 0.00 H new ATOM 0 HG LEU A 30 10.021 5.662 -10.835 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.595 7.461 -10.242 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.979 5.942 -9.398 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.951 6.452 -10.799 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.557 7.419 -12.478 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.872 6.407 -13.124 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.182 5.868 -13.268 1.00 0.00 H new ATOM 461 N GLU A 31 13.536 2.545 -13.316 1.00 0.00 N ATOM 462 CA GLU A 31 13.864 1.271 -13.947 1.00 0.00 C ATOM 463 C GLU A 31 15.131 0.674 -13.341 1.00 0.00 C ATOM 464 O GLU A 31 15.324 -0.541 -13.353 1.00 0.00 O ATOM 465 CB GLU A 31 14.045 1.455 -15.455 1.00 0.00 C ATOM 466 CG GLU A 31 14.284 0.154 -16.202 1.00 0.00 C ATOM 467 CD GLU A 31 13.026 -0.682 -16.337 1.00 0.00 C ATOM 468 OE1 GLU A 31 11.921 -0.099 -16.302 1.00 0.00 O ATOM 469 OE2 GLU A 31 13.145 -1.917 -16.477 1.00 0.00 O ATOM 0 H GLU A 31 13.479 3.333 -13.961 1.00 0.00 H new ATOM 0 HA GLU A 31 13.037 0.583 -13.769 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.158 1.941 -15.862 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.886 2.126 -15.632 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.676 0.376 -17.194 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.046 -0.425 -15.681 1.00 0.00 H new ATOM 476 N ASN A 32 15.990 1.538 -12.811 1.00 0.00 N ATOM 477 CA ASN A 32 17.239 1.097 -12.201 1.00 0.00 C ATOM 478 C ASN A 32 17.255 1.410 -10.708 1.00 0.00 C ATOM 479 O ASN A 32 18.304 1.368 -10.065 1.00 0.00 O ATOM 480 CB ASN A 32 18.431 1.768 -12.887 1.00 0.00 C ATOM 481 CG ASN A 32 18.521 1.421 -14.360 1.00 0.00 C ATOM 482 OD1 ASN A 32 18.884 0.302 -14.725 1.00 0.00 O ATOM 483 ND2 ASN A 32 18.191 2.381 -15.215 1.00 0.00 N ATOM 0 H ASN A 32 15.844 2.547 -12.792 1.00 0.00 H new ATOM 0 HA ASN A 32 17.316 0.017 -12.329 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.349 2.849 -12.776 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.352 1.465 -12.388 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.233 2.206 -16.219 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.896 3.294 -14.868 1.00 0.00 H new ATOM 490 N ALA A 33 16.085 1.724 -10.162 1.00 0.00 N ATOM 491 CA ALA A 33 15.963 2.041 -8.745 1.00 0.00 C ATOM 492 C ALA A 33 16.629 3.374 -8.421 1.00 0.00 C ATOM 493 O ALA A 33 17.430 3.469 -7.492 1.00 0.00 O ATOM 494 CB ALA A 33 16.568 0.928 -7.901 1.00 0.00 C ATOM 0 H ALA A 33 15.207 1.766 -10.680 1.00 0.00 H new ATOM 0 HA ALA A 33 14.903 2.127 -8.508 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.470 1.178 -6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.045 -0.007 -8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.623 0.815 -8.151 1.00 0.00 H new ATOM 500 N MET A 34 16.293 4.401 -9.195 1.00 0.00 N ATOM 501 CA MET A 34 16.860 5.729 -8.990 1.00 0.00 C ATOM 502 C MET A 34 15.759 6.776 -8.856 1.00 0.00 C ATOM 503 O MET A 34 15.788 7.828 -9.495 1.00 0.00 O ATOM 504 CB MET A 34 17.789 6.095 -10.150 1.00 0.00 C ATOM 505 CG MET A 34 18.804 5.012 -10.479 1.00 0.00 C ATOM 506 SD MET A 34 20.321 5.677 -11.193 1.00 0.00 S ATOM 507 CE MET A 34 19.842 5.841 -12.912 1.00 0.00 C ATOM 0 H MET A 34 15.632 4.339 -9.969 1.00 0.00 H new ATOM 0 HA MET A 34 17.435 5.712 -8.064 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.188 6.300 -11.036 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.318 7.016 -9.904 1.00 0.00 H new ATOM 0 HG2 MET A 34 19.046 4.458 -9.572 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.359 4.302 -11.176 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.597 6.417 -13.447 1.00 0.00 H new ATOM 0 HE2 MET A 34 19.755 4.852 -13.361 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.882 6.354 -12.975 1.00 0.00 H new ATOM 517 N PRO A 35 14.763 6.482 -8.007 1.00 0.00 N ATOM 518 CA PRO A 35 13.632 7.386 -7.771 1.00 0.00 C ATOM 519 C PRO A 35 14.043 8.641 -7.009 1.00 0.00 C ATOM 520 O PRO A 35 13.251 9.570 -6.853 1.00 0.00 O ATOM 521 CB PRO A 35 12.673 6.540 -6.930 1.00 0.00 C ATOM 522 CG PRO A 35 13.544 5.540 -6.252 1.00 0.00 C ATOM 523 CD PRO A 35 14.663 5.247 -7.212 1.00 0.00 C ATOM 0 HA PRO A 35 13.198 7.749 -8.703 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.136 7.153 -6.206 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.923 6.053 -7.554 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.930 5.933 -5.311 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.986 4.634 -6.015 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.594 5.029 -6.689 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.439 4.383 -7.838 1.00 0.00 H new ATOM 531 N GLU A 36 15.287 8.662 -6.539 1.00 0.00 N ATOM 532 CA GLU A 36 15.801 9.804 -5.792 1.00 0.00 C ATOM 533 C GLU A 36 16.186 10.941 -6.734 1.00 0.00 C ATOM 534 O GLU A 36 16.201 12.109 -6.342 1.00 0.00 O ATOM 535 CB GLU A 36 17.012 9.390 -4.954 1.00 0.00 C ATOM 536 CG GLU A 36 18.050 8.600 -5.732 1.00 0.00 C ATOM 537 CD GLU A 36 17.803 7.105 -5.682 1.00 0.00 C ATOM 538 OE1 GLU A 36 16.819 6.687 -5.037 1.00 0.00 O ATOM 539 OE2 GLU A 36 18.594 6.352 -6.289 1.00 0.00 O ATOM 0 H GLU A 36 15.956 7.902 -6.662 1.00 0.00 H new ATOM 0 HA GLU A 36 15.012 10.156 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.481 10.284 -4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.671 8.792 -4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.049 8.930 -6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.040 8.814 -5.330 1.00 0.00 H new ATOM 546 N TYR A 37 16.496 10.592 -7.978 1.00 0.00 N ATOM 547 CA TYR A 37 16.884 11.582 -8.976 1.00 0.00 C ATOM 548 C TYR A 37 15.678 12.031 -9.796 1.00 0.00 C ATOM 549 O TYR A 37 15.754 12.997 -10.555 1.00 0.00 O ATOM 550 CB TYR A 37 17.959 11.010 -9.901 1.00 0.00 C ATOM 551 CG TYR A 37 19.296 10.808 -9.224 1.00 0.00 C ATOM 552 CD1 TYR A 37 20.107 11.891 -8.908 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.746 9.535 -8.898 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.330 11.711 -8.290 1.00 0.00 C ATOM 555 CE2 TYR A 37 20.967 9.345 -8.278 1.00 0.00 C ATOM 556 CZ TYR A 37 21.755 10.437 -7.977 1.00 0.00 C ATOM 557 OH TYR A 37 22.971 10.253 -7.360 1.00 0.00 O ATOM 0 H TYR A 37 16.486 9.631 -8.319 1.00 0.00 H new ATOM 0 HA TYR A 37 17.288 12.449 -8.453 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.614 10.055 -10.298 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.089 11.680 -10.751 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.776 12.890 -9.149 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.131 8.679 -9.133 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.949 12.563 -8.053 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.302 8.348 -8.031 1.00 0.00 H new ATOM 0 HH TYR A 37 23.119 9.296 -7.208 1.00 0.00 H new ATOM 567 N CYS A 38 14.566 11.322 -9.636 1.00 0.00 N ATOM 568 CA CYS A 38 13.342 11.646 -10.361 1.00 0.00 C ATOM 569 C CYS A 38 12.885 13.067 -10.049 1.00 0.00 C ATOM 570 O CYS A 38 12.373 13.770 -10.920 1.00 0.00 O ATOM 571 CB CYS A 38 12.235 10.652 -10.005 1.00 0.00 C ATOM 572 SG CYS A 38 10.984 10.449 -11.294 1.00 0.00 S ATOM 0 H CYS A 38 14.487 10.520 -9.011 1.00 0.00 H new ATOM 0 HA CYS A 38 13.553 11.577 -11.428 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.686 9.682 -9.795 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.746 10.982 -9.088 1.00 0.00 H new ATOM 0 HG CYS A 38 10.092 9.588 -10.902 1.00 0.00 H new ATOM 578 N GLU A 39 13.073 13.483 -8.800 1.00 0.00 N ATOM 579 CA GLU A 39 12.678 14.820 -8.373 1.00 0.00 C ATOM 580 C GLU A 39 13.423 15.888 -9.170 1.00 0.00 C ATOM 581 O GLU A 39 12.825 16.716 -9.857 1.00 0.00 O ATOM 582 CB GLU A 39 12.948 15.003 -6.878 1.00 0.00 C ATOM 583 CG GLU A 39 11.745 14.701 -6.001 1.00 0.00 C ATOM 584 CD GLU A 39 12.108 14.581 -4.534 1.00 0.00 C ATOM 585 OE1 GLU A 39 12.109 15.618 -3.837 1.00 0.00 O ATOM 586 OE2 GLU A 39 12.392 13.452 -4.082 1.00 0.00 O ATOM 0 H GLU A 39 13.496 12.914 -8.067 1.00 0.00 H new ATOM 0 HA GLU A 39 11.610 14.932 -8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.773 14.354 -6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.270 16.029 -6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.003 15.490 -6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.281 13.772 -6.334 1.00 0.00 H new ATOM 593 N PRO A 40 14.761 15.869 -9.076 1.00 0.00 N ATOM 594 CA PRO A 40 15.617 16.828 -9.781 1.00 0.00 C ATOM 595 C PRO A 40 15.622 16.601 -11.289 1.00 0.00 C ATOM 596 O PRO A 40 16.005 17.484 -12.059 1.00 0.00 O ATOM 597 CB PRO A 40 17.006 16.560 -9.196 1.00 0.00 C ATOM 598 CG PRO A 40 16.955 15.146 -8.730 1.00 0.00 C ATOM 599 CD PRO A 40 15.541 14.911 -8.275 1.00 0.00 C ATOM 0 HA PRO A 40 15.274 17.854 -9.649 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.785 16.702 -9.945 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.227 17.240 -8.373 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.226 14.460 -9.533 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.660 14.978 -7.916 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.226 13.884 -8.458 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.427 15.094 -7.207 1.00 0.00 H new ATOM 607 N LEU A 41 15.194 15.415 -11.706 1.00 0.00 N ATOM 608 CA LEU A 41 15.150 15.072 -13.123 1.00 0.00 C ATOM 609 C LEU A 41 13.712 15.042 -13.631 1.00 0.00 C ATOM 610 O LEU A 41 13.459 14.705 -14.787 1.00 0.00 O ATOM 611 CB LEU A 41 15.814 13.714 -13.360 1.00 0.00 C ATOM 612 CG LEU A 41 17.307 13.633 -13.042 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.790 12.192 -13.107 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.105 14.508 -13.997 1.00 0.00 C ATOM 0 H LEU A 41 14.872 14.674 -11.083 1.00 0.00 H new ATOM 0 HA LEU A 41 15.696 15.838 -13.674 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.294 12.968 -12.759 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.670 13.439 -14.405 1.00 0.00 H new ATOM 0 HG LEU A 41 17.462 14.001 -12.028 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.855 12.155 -12.878 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.241 11.591 -12.382 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.620 11.796 -14.108 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.165 14.437 -13.755 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.943 14.171 -15.021 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.779 15.544 -13.900 1.00 0.00 H new ATOM 626 N GLU A 42 12.774 15.401 -12.760 1.00 0.00 N ATOM 627 CA GLU A 42 11.362 15.416 -13.122 1.00 0.00 C ATOM 628 C GLU A 42 11.145 16.158 -14.437 1.00 0.00 C ATOM 629 O GLU A 42 10.405 15.699 -15.308 1.00 0.00 O ATOM 630 CB GLU A 42 10.535 16.071 -12.013 1.00 0.00 C ATOM 631 CG GLU A 42 10.782 17.563 -11.869 1.00 0.00 C ATOM 632 CD GLU A 42 10.289 18.112 -10.545 1.00 0.00 C ATOM 633 OE1 GLU A 42 9.715 17.332 -9.756 1.00 0.00 O ATOM 634 OE2 GLU A 42 10.477 19.321 -10.297 1.00 0.00 O ATOM 0 H GLU A 42 12.967 15.685 -11.799 1.00 0.00 H new ATOM 0 HA GLU A 42 11.035 14.384 -13.249 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.477 15.904 -12.214 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.760 15.581 -11.066 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.849 17.761 -11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.285 18.090 -12.684 1.00 0.00 H new ATOM 641 N HIS A 43 11.797 17.309 -14.575 1.00 0.00 N ATOM 642 CA HIS A 43 11.676 18.116 -15.784 1.00 0.00 C ATOM 643 C HIS A 43 12.956 18.050 -16.611 1.00 0.00 C ATOM 644 O HIS A 43 13.292 18.991 -17.331 1.00 0.00 O ATOM 645 CB HIS A 43 11.363 19.568 -15.424 1.00 0.00 C ATOM 646 CG HIS A 43 12.372 20.190 -14.508 1.00 0.00 C ATOM 647 ND1 HIS A 43 13.472 20.886 -14.962 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.441 20.218 -13.156 1.00 0.00 C ATOM 649 CE1 HIS A 43 14.176 21.314 -13.929 1.00 0.00 C ATOM 650 NE2 HIS A 43 13.571 20.923 -12.822 1.00 0.00 N ATOM 0 H HIS A 43 12.414 17.703 -13.865 1.00 0.00 H new ATOM 0 HA HIS A 43 10.857 17.713 -16.380 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.305 20.156 -16.340 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.381 19.613 -14.953 1.00 0.00 H new ATOM 0 HD2 HIS A 43 11.739 19.770 -12.469 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.090 21.886 -13.981 1.00 0.00 H new ATOM 0 HE2 HIS A 43 13.891 21.114 -11.873 1.00 0.00 H new ATOM 658 N PHE A 44 13.667 16.932 -16.504 1.00 0.00 N ATOM 659 CA PHE A 44 14.912 16.744 -17.240 1.00 0.00 C ATOM 660 C PHE A 44 14.671 15.953 -18.523 1.00 0.00 C ATOM 661 O PHE A 44 13.782 15.104 -18.585 1.00 0.00 O ATOM 662 CB PHE A 44 15.941 16.021 -16.368 1.00 0.00 C ATOM 663 CG PHE A 44 16.817 16.952 -15.580 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.261 17.923 -14.762 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.197 16.856 -15.655 1.00 0.00 C ATOM 666 CE1 PHE A 44 17.065 18.781 -14.036 1.00 0.00 C ATOM 667 CE2 PHE A 44 19.007 17.711 -14.931 1.00 0.00 C ATOM 668 CZ PHE A 44 18.440 18.674 -14.120 1.00 0.00 C ATOM 0 H PHE A 44 13.402 16.143 -15.915 1.00 0.00 H new ATOM 0 HA PHE A 44 15.299 17.727 -17.507 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.419 15.356 -15.680 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.568 15.395 -17.003 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.187 18.010 -14.691 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.646 16.104 -16.287 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.619 19.534 -13.404 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.081 17.626 -15.000 1.00 0.00 H new ATOM 0 HZ PHE A 44 19.070 19.342 -13.552 1.00 0.00 H new ATOM 678 N THR A 45 15.470 16.240 -19.546 1.00 0.00 N ATOM 679 CA THR A 45 15.343 15.559 -20.829 1.00 0.00 C ATOM 680 C THR A 45 16.579 14.719 -21.130 1.00 0.00 C ATOM 681 O THR A 45 17.692 15.074 -20.744 1.00 0.00 O ATOM 682 CB THR A 45 15.124 16.561 -21.978 1.00 0.00 C ATOM 683 OG1 THR A 45 16.043 17.653 -21.857 1.00 0.00 O ATOM 684 CG2 THR A 45 13.698 17.088 -21.972 1.00 0.00 C ATOM 0 H THR A 45 16.212 16.939 -19.511 1.00 0.00 H new ATOM 0 HA THR A 45 14.473 14.907 -20.756 1.00 0.00 H new ATOM 0 HB THR A 45 15.298 16.043 -22.921 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.899 18.285 -22.592 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.567 17.794 -22.792 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.003 16.257 -22.094 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.500 17.591 -21.026 1.00 0.00 H new ATOM 692 N GLY A 46 16.375 13.602 -21.823 1.00 0.00 N ATOM 693 CA GLY A 46 17.483 12.729 -22.164 1.00 0.00 C ATOM 694 C GLY A 46 18.764 13.494 -22.432 1.00 0.00 C ATOM 695 O GLY A 46 19.853 13.031 -22.093 1.00 0.00 O ATOM 0 H GLY A 46 15.463 13.287 -22.154 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.649 12.023 -21.350 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.222 12.144 -23.046 1.00 0.00 H new ATOM 699 N GLN A 47 18.633 14.667 -23.043 1.00 0.00 N ATOM 700 CA GLN A 47 19.790 15.497 -23.358 1.00 0.00 C ATOM 701 C GLN A 47 20.406 16.077 -22.089 1.00 0.00 C ATOM 702 O GLN A 47 21.619 16.010 -21.889 1.00 0.00 O ATOM 703 CB GLN A 47 19.391 16.627 -24.308 1.00 0.00 C ATOM 704 CG GLN A 47 20.560 17.490 -24.753 1.00 0.00 C ATOM 705 CD GLN A 47 21.322 16.885 -25.916 1.00 0.00 C ATOM 706 OE1 GLN A 47 20.892 16.971 -27.067 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.461 16.269 -25.622 1.00 0.00 N ATOM 0 H GLN A 47 17.738 15.064 -23.330 1.00 0.00 H new ATOM 0 HA GLN A 47 20.534 14.868 -23.846 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.911 16.198 -25.188 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.650 17.258 -23.817 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.191 18.475 -25.038 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.240 17.635 -23.914 1.00 0.00 H new ATOM 0 HE21 GLN A 47 22.780 16.221 -24.654 1.00 0.00 H new ATOM 0 HE22 GLN A 47 23.017 15.844 -26.364 1.00 0.00 H new ATOM 716 N ASP A 48 19.563 16.647 -21.235 1.00 0.00 N ATOM 717 CA ASP A 48 20.025 17.238 -19.985 1.00 0.00 C ATOM 718 C ASP A 48 20.532 16.162 -19.029 1.00 0.00 C ATOM 719 O ASP A 48 21.526 16.357 -18.329 1.00 0.00 O ATOM 720 CB ASP A 48 18.897 18.032 -19.325 1.00 0.00 C ATOM 721 CG ASP A 48 18.656 19.368 -20.001 1.00 0.00 C ATOM 722 OD1 ASP A 48 18.782 19.435 -21.242 1.00 0.00 O ATOM 723 OD2 ASP A 48 18.343 20.346 -19.291 1.00 0.00 O ATOM 0 H ASP A 48 18.556 16.712 -21.386 1.00 0.00 H new ATOM 0 HA ASP A 48 20.850 17.913 -20.214 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.979 17.444 -19.351 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.139 18.198 -18.275 1.00 0.00 H new ATOM 728 N LEU A 49 19.842 15.026 -19.006 1.00 0.00 N ATOM 729 CA LEU A 49 20.222 13.918 -18.136 1.00 0.00 C ATOM 730 C LEU A 49 21.661 13.487 -18.402 1.00 0.00 C ATOM 731 O LEU A 49 22.467 13.378 -17.477 1.00 0.00 O ATOM 732 CB LEU A 49 19.276 12.734 -18.343 1.00 0.00 C ATOM 733 CG LEU A 49 19.694 11.418 -17.686 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.471 10.637 -17.230 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.534 10.587 -18.644 1.00 0.00 C ATOM 0 H LEU A 49 19.017 14.848 -19.579 1.00 0.00 H new ATOM 0 HA LEU A 49 20.149 14.257 -17.103 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.292 13.010 -17.963 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.168 12.564 -19.414 1.00 0.00 H new ATOM 0 HG LEU A 49 20.300 11.648 -16.810 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.788 9.704 -16.765 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.909 11.230 -16.508 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.838 10.417 -18.090 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.822 9.654 -18.160 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.953 10.366 -19.540 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.429 11.144 -18.920 1.00 0.00 H new ATOM 747 N ILE A 50 21.976 13.244 -19.670 1.00 0.00 N ATOM 748 CA ILE A 50 23.319 12.829 -20.057 1.00 0.00 C ATOM 749 C ILE A 50 24.329 13.946 -19.818 1.00 0.00 C ATOM 750 O ILE A 50 25.530 13.698 -19.710 1.00 0.00 O ATOM 751 CB ILE A 50 23.374 12.410 -21.538 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.175 13.628 -22.442 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.321 11.351 -21.828 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.881 13.513 -23.775 1.00 0.00 C ATOM 0 H ILE A 50 21.320 13.327 -20.446 1.00 0.00 H new ATOM 0 HA ILE A 50 23.576 11.971 -19.436 1.00 0.00 H new ATOM 0 HB ILE A 50 24.356 11.984 -21.744 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.108 13.771 -22.616 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.535 14.517 -21.925 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.372 11.065 -22.879 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.504 10.476 -21.204 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.331 11.752 -21.609 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.696 14.412 -24.363 1.00 0.00 H new ATOM 0 HD12 ILE A 50 24.953 13.401 -23.611 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.504 12.643 -24.313 1.00 0.00 H new ATOM 766 N ASN A 51 23.835 15.176 -19.734 1.00 0.00 N ATOM 767 CA ASN A 51 24.695 16.332 -19.508 1.00 0.00 C ATOM 768 C ASN A 51 25.027 16.481 -18.026 1.00 0.00 C ATOM 769 O ASN A 51 25.540 17.514 -17.594 1.00 0.00 O ATOM 770 CB ASN A 51 24.019 17.605 -20.020 1.00 0.00 C ATOM 771 CG ASN A 51 24.046 17.706 -21.533 1.00 0.00 C ATOM 772 OD1 ASN A 51 24.894 17.102 -22.191 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.116 18.471 -22.092 1.00 0.00 N ATOM 0 H ASN A 51 22.843 15.399 -19.819 1.00 0.00 H new ATOM 0 HA ASN A 51 25.623 16.175 -20.057 1.00 0.00 H new ATOM 0 HB2 ASN A 51 22.985 17.628 -19.676 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.517 18.475 -19.592 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.084 18.577 -23.106 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.433 18.953 -21.507 1.00 0.00 H new ATOM 780 N LEU A 52 24.733 15.442 -17.253 1.00 0.00 N ATOM 781 CA LEU A 52 25.002 15.455 -15.819 1.00 0.00 C ATOM 782 C LEU A 52 26.426 14.993 -15.527 1.00 0.00 C ATOM 783 O LEU A 52 26.886 13.985 -16.064 1.00 0.00 O ATOM 784 CB LEU A 52 24.003 14.559 -15.084 1.00 0.00 C ATOM 785 CG LEU A 52 22.562 15.067 -15.027 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.713 14.169 -14.141 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.522 16.504 -14.528 1.00 0.00 C ATOM 0 H LEU A 52 24.308 14.580 -17.595 1.00 0.00 H new ATOM 0 HA LEU A 52 24.892 16.480 -15.464 1.00 0.00 H new ATOM 0 HB2 LEU A 52 24.003 13.580 -15.563 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.357 14.415 -14.063 1.00 0.00 H new ATOM 0 HG LEU A 52 22.149 15.042 -16.035 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.691 14.547 -14.113 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.714 13.156 -14.542 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.124 14.160 -13.132 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.489 16.849 -14.494 1.00 0.00 H new ATOM 0 HD22 LEU A 52 22.954 16.554 -13.529 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.094 17.140 -15.203 1.00 0.00 H new ATOM 799 N THR A 53 27.120 15.737 -14.671 1.00 0.00 N ATOM 800 CA THR A 53 28.491 15.403 -14.306 1.00 0.00 C ATOM 801 C THR A 53 28.709 15.538 -12.804 1.00 0.00 C ATOM 802 O THR A 53 27.846 16.044 -12.086 1.00 0.00 O ATOM 803 CB THR A 53 29.503 16.301 -15.042 1.00 0.00 C ATOM 804 OG1 THR A 53 29.394 17.649 -14.572 1.00 0.00 O ATOM 805 CG2 THR A 53 29.268 16.263 -16.545 1.00 0.00 C ATOM 0 H THR A 53 26.755 16.575 -14.218 1.00 0.00 H new ATOM 0 HA THR A 53 28.653 14.367 -14.602 1.00 0.00 H new ATOM 0 HB THR A 53 30.505 15.924 -14.837 1.00 0.00 H new ATOM 0 HG1 THR A 53 28.448 17.900 -14.513 1.00 0.00 H new ATOM 0 HG21 THR A 53 29.995 16.905 -17.043 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.380 15.240 -16.905 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.261 16.617 -16.765 1.00 0.00 H new ATOM 813 N GLN A 54 29.865 15.082 -12.334 1.00 0.00 N ATOM 814 CA GLN A 54 30.195 15.152 -10.916 1.00 0.00 C ATOM 815 C GLN A 54 30.081 16.583 -10.401 1.00 0.00 C ATOM 816 O GLN A 54 29.755 16.809 -9.236 1.00 0.00 O ATOM 817 CB GLN A 54 31.608 14.621 -10.672 1.00 0.00 C ATOM 818 CG GLN A 54 31.840 14.137 -9.249 1.00 0.00 C ATOM 819 CD GLN A 54 33.173 13.436 -9.081 1.00 0.00 C ATOM 820 OE1 GLN A 54 34.080 13.951 -8.426 1.00 0.00 O ATOM 821 NE2 GLN A 54 33.299 12.253 -9.671 1.00 0.00 N ATOM 0 H GLN A 54 30.589 14.660 -12.915 1.00 0.00 H new ATOM 0 HA GLN A 54 29.483 14.531 -10.372 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.803 13.800 -11.362 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.327 15.407 -10.901 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.792 14.987 -8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 54 31.037 13.456 -8.966 1.00 0.00 H new ATOM 0 HE21 GLN A 54 32.522 11.864 -10.204 1.00 0.00 H new ATOM 0 HE22 GLN A 54 34.173 11.734 -9.591 1.00 0.00 H new ATOM 830 N GLU A 55 30.352 17.545 -11.277 1.00 0.00 N ATOM 831 CA GLU A 55 30.279 18.955 -10.909 1.00 0.00 C ATOM 832 C GLU A 55 28.831 19.392 -10.714 1.00 0.00 C ATOM 833 O GLU A 55 28.558 20.396 -10.055 1.00 0.00 O ATOM 834 CB GLU A 55 30.944 19.819 -11.982 1.00 0.00 C ATOM 835 CG GLU A 55 29.982 20.312 -13.050 1.00 0.00 C ATOM 836 CD GLU A 55 30.652 20.504 -14.396 1.00 0.00 C ATOM 837 OE1 GLU A 55 31.613 19.763 -14.690 1.00 0.00 O ATOM 838 OE2 GLU A 55 30.216 21.394 -15.155 1.00 0.00 O ATOM 0 H GLU A 55 30.624 17.375 -12.245 1.00 0.00 H new ATOM 0 HA GLU A 55 30.810 19.086 -9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 55 31.414 20.678 -11.504 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.739 19.244 -12.458 1.00 0.00 H new ATOM 0 HG2 GLU A 55 29.164 19.599 -13.154 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.542 21.256 -12.729 1.00 0.00 H new ATOM 845 N ASP A 56 27.907 18.631 -11.290 1.00 0.00 N ATOM 846 CA ASP A 56 26.485 18.939 -11.179 1.00 0.00 C ATOM 847 C ASP A 56 25.922 18.436 -9.854 1.00 0.00 C ATOM 848 O ASP A 56 24.813 18.799 -9.461 1.00 0.00 O ATOM 849 CB ASP A 56 25.715 18.316 -12.344 1.00 0.00 C ATOM 850 CG ASP A 56 25.926 19.065 -13.645 1.00 0.00 C ATOM 851 OD1 ASP A 56 26.932 18.788 -14.332 1.00 0.00 O ATOM 852 OD2 ASP A 56 25.087 19.928 -13.977 1.00 0.00 O ATOM 0 H ASP A 56 28.116 17.797 -11.838 1.00 0.00 H new ATOM 0 HA ASP A 56 26.369 20.022 -11.214 1.00 0.00 H new ATOM 0 HB2 ASP A 56 26.029 17.280 -12.470 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.651 18.300 -12.106 1.00 0.00 H new ATOM 857 N PHE A 57 26.693 17.598 -9.169 1.00 0.00 N ATOM 858 CA PHE A 57 26.271 17.044 -7.888 1.00 0.00 C ATOM 859 C PHE A 57 26.644 17.980 -6.741 1.00 0.00 C ATOM 860 O PHE A 57 25.829 18.259 -5.862 1.00 0.00 O ATOM 861 CB PHE A 57 26.907 15.670 -7.667 1.00 0.00 C ATOM 862 CG PHE A 57 26.297 14.586 -8.508 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.749 14.354 -9.797 1.00 0.00 C ATOM 864 CD2 PHE A 57 25.273 13.798 -8.009 1.00 0.00 C ATOM 865 CE1 PHE A 57 26.189 13.357 -10.573 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.709 12.799 -8.781 1.00 0.00 C ATOM 867 CZ PHE A 57 25.169 12.577 -10.064 1.00 0.00 C ATOM 0 H PHE A 57 27.614 17.288 -9.480 1.00 0.00 H new ATOM 0 HA PHE A 57 25.187 16.935 -7.908 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.973 15.732 -7.886 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.813 15.400 -6.615 1.00 0.00 H new ATOM 0 HD1 PHE A 57 27.548 14.959 -10.200 1.00 0.00 H new ATOM 0 HD2 PHE A 57 24.911 13.966 -7.005 1.00 0.00 H new ATOM 0 HE1 PHE A 57 26.549 13.188 -11.577 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.910 12.193 -8.381 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.732 11.795 -10.668 1.00 0.00 H new ATOM 877 N LYS A 58 27.883 18.461 -6.758 1.00 0.00 N ATOM 878 CA LYS A 58 28.366 19.366 -5.722 1.00 0.00 C ATOM 879 C LYS A 58 27.430 20.560 -5.562 1.00 0.00 C ATOM 880 O LYS A 58 27.491 21.281 -4.565 1.00 0.00 O ATOM 881 CB LYS A 58 29.777 19.853 -6.059 1.00 0.00 C ATOM 882 CG LYS A 58 29.909 20.406 -7.468 1.00 0.00 C ATOM 883 CD LYS A 58 31.366 20.580 -7.865 1.00 0.00 C ATOM 884 CE LYS A 58 32.110 19.253 -7.845 1.00 0.00 C ATOM 885 NZ LYS A 58 32.694 18.964 -6.506 1.00 0.00 N ATOM 0 H LYS A 58 28.571 18.239 -7.478 1.00 0.00 H new ATOM 0 HA LYS A 58 28.392 18.818 -4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 58 30.066 20.625 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 58 30.477 19.027 -5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 58 29.417 19.734 -8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 58 29.396 21.366 -7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 58 31.423 21.016 -8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 58 31.849 21.280 -7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 58 31.428 18.450 -8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 58 32.904 19.271 -8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 33.714 18.788 -6.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 32.541 19.778 -5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 32.235 18.123 -6.101 1.00 0.00 H new ATOM 899 N LYS A 59 26.563 20.762 -6.548 1.00 0.00 N ATOM 900 CA LYS A 59 25.611 21.866 -6.516 1.00 0.00 C ATOM 901 C LYS A 59 24.203 21.381 -6.847 1.00 0.00 C ATOM 902 O LYS A 59 24.009 20.304 -7.411 1.00 0.00 O ATOM 903 CB LYS A 59 26.031 22.958 -7.503 1.00 0.00 C ATOM 904 CG LYS A 59 26.814 22.432 -8.694 1.00 0.00 C ATOM 905 CD LYS A 59 26.906 23.467 -9.802 1.00 0.00 C ATOM 906 CE LYS A 59 27.232 22.823 -11.141 1.00 0.00 C ATOM 907 NZ LYS A 59 27.284 23.826 -12.241 1.00 0.00 N ATOM 0 H LYS A 59 26.500 20.175 -7.380 1.00 0.00 H new ATOM 0 HA LYS A 59 25.606 22.279 -5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 59 25.140 23.473 -7.863 1.00 0.00 H new ATOM 0 HB3 LYS A 59 26.636 23.697 -6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.817 22.149 -8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.335 21.530 -9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.962 24.006 -9.877 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.673 24.200 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 59 28.191 22.309 -11.073 1.00 0.00 H new ATOM 0 HE3 LYS A 59 26.481 22.068 -11.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 27.509 23.348 -13.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 26.362 24.299 -12.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 28.018 24.532 -12.032 1.00 0.00 H new ATOM 921 N PRO A 60 23.197 22.193 -6.489 1.00 0.00 N ATOM 922 CA PRO A 60 21.790 21.868 -6.740 1.00 0.00 C ATOM 923 C PRO A 60 21.438 21.923 -8.223 1.00 0.00 C ATOM 924 O PRO A 60 22.161 22.499 -9.036 1.00 0.00 O ATOM 925 CB PRO A 60 21.032 22.952 -5.970 1.00 0.00 C ATOM 926 CG PRO A 60 21.982 24.097 -5.895 1.00 0.00 C ATOM 927 CD PRO A 60 23.356 23.491 -5.812 1.00 0.00 C ATOM 0 HA PRO A 60 21.544 20.853 -6.427 1.00 0.00 H new ATOM 0 HB2 PRO A 60 20.113 23.233 -6.484 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.749 22.607 -4.976 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.891 24.738 -6.772 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.776 24.718 -5.023 1.00 0.00 H new ATOM 0 HD2 PRO A 60 24.101 24.114 -6.307 1.00 0.00 H new ATOM 0 HD3 PRO A 60 23.679 23.368 -4.778 1.00 0.00 H new ATOM 935 N PRO A 61 20.301 21.311 -8.585 1.00 0.00 N ATOM 936 CA PRO A 61 19.433 20.620 -7.626 1.00 0.00 C ATOM 937 C PRO A 61 20.066 19.341 -7.089 1.00 0.00 C ATOM 938 O PRO A 61 19.963 19.037 -5.900 1.00 0.00 O ATOM 939 CB PRO A 61 18.184 20.294 -8.449 1.00 0.00 C ATOM 940 CG PRO A 61 18.663 20.238 -9.858 1.00 0.00 C ATOM 941 CD PRO A 61 19.775 21.245 -9.959 1.00 0.00 C ATOM 0 HA PRO A 61 19.232 21.229 -6.745 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.744 19.345 -8.142 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.416 21.057 -8.322 1.00 0.00 H new ATOM 0 HG2 PRO A 61 19.018 19.239 -10.110 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.858 20.475 -10.553 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.540 20.929 -10.668 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.409 22.215 -10.296 1.00 0.00 H new ATOM 949 N LEU A 62 20.721 18.595 -7.971 1.00 0.00 N ATOM 950 CA LEU A 62 21.373 17.348 -7.585 1.00 0.00 C ATOM 951 C LEU A 62 22.427 17.595 -6.510 1.00 0.00 C ATOM 952 O LEU A 62 23.538 18.037 -6.806 1.00 0.00 O ATOM 953 CB LEU A 62 22.017 16.687 -8.805 1.00 0.00 C ATOM 954 CG LEU A 62 21.098 16.453 -10.004 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.888 16.520 -11.302 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.388 15.113 -9.879 1.00 0.00 C ATOM 0 H LEU A 62 20.815 18.832 -8.959 1.00 0.00 H new ATOM 0 HA LEU A 62 20.614 16.681 -7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.854 17.306 -9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.431 15.727 -8.497 1.00 0.00 H new ATOM 0 HG LEU A 62 20.345 17.241 -10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.218 16.351 -12.145 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.350 17.503 -11.397 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.663 15.754 -11.296 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.738 14.964 -10.741 1.00 0.00 H new ATOM 0 HD22 LEU A 62 21.127 14.312 -9.838 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.790 15.102 -8.968 1.00 0.00 H new ATOM 968 N TYR A 63 22.072 17.305 -5.263 1.00 0.00 N ATOM 969 CA TYR A 63 22.988 17.495 -4.145 1.00 0.00 C ATOM 970 C TYR A 63 22.674 16.521 -3.013 1.00 0.00 C ATOM 971 O TYR A 63 21.552 16.479 -2.508 1.00 0.00 O ATOM 972 CB TYR A 63 22.908 18.934 -3.632 1.00 0.00 C ATOM 973 CG TYR A 63 23.921 19.250 -2.555 1.00 0.00 C ATOM 974 CD1 TYR A 63 25.277 19.033 -2.764 1.00 0.00 C ATOM 975 CD2 TYR A 63 23.522 19.765 -1.327 1.00 0.00 C ATOM 976 CE1 TYR A 63 26.206 19.319 -1.783 1.00 0.00 C ATOM 977 CE2 TYR A 63 24.444 20.056 -0.341 1.00 0.00 C ATOM 978 CZ TYR A 63 25.785 19.831 -0.573 1.00 0.00 C ATOM 979 OH TYR A 63 26.707 20.118 0.407 1.00 0.00 O ATOM 0 H TYR A 63 21.157 16.938 -5.001 1.00 0.00 H new ATOM 0 HA TYR A 63 24.000 17.299 -4.499 1.00 0.00 H new ATOM 0 HB2 TYR A 63 23.054 19.618 -4.468 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.907 19.117 -3.242 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.611 18.634 -3.710 1.00 0.00 H new ATOM 0 HD2 TYR A 63 22.473 19.941 -1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 63 27.256 19.143 -1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 63 24.117 20.458 0.607 1.00 0.00 H new ATOM 0 HH TYR A 63 26.246 20.472 1.196 1.00 0.00 H new ATOM 989 N ARG A 64 23.675 15.740 -2.619 1.00 0.00 N ATOM 990 CA ARG A 64 23.507 14.765 -1.548 1.00 0.00 C ATOM 991 C ARG A 64 22.329 13.839 -1.836 1.00 0.00 C ATOM 992 O ARG A 64 21.709 13.302 -0.918 1.00 0.00 O ATOM 993 CB ARG A 64 23.295 15.476 -0.210 1.00 0.00 C ATOM 994 CG ARG A 64 24.256 16.630 0.025 1.00 0.00 C ATOM 995 CD ARG A 64 25.694 16.146 0.122 1.00 0.00 C ATOM 996 NE ARG A 64 26.331 16.053 -1.189 1.00 0.00 N ATOM 997 CZ ARG A 64 27.488 15.437 -1.402 1.00 0.00 C ATOM 998 NH1 ARG A 64 28.132 14.862 -0.396 1.00 0.00 N ATOM 999 NH2 ARG A 64 28.003 15.395 -2.624 1.00 0.00 N ATOM 0 H ARG A 64 24.610 15.764 -3.025 1.00 0.00 H new ATOM 0 HA ARG A 64 24.415 14.164 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.272 15.851 -0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.405 14.752 0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.167 17.350 -0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 64 23.983 17.151 0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 64 26.264 16.827 0.754 1.00 0.00 H new ATOM 0 HD3 ARG A 64 25.716 15.169 0.605 1.00 0.00 H new ATOM 0 HE ARG A 64 25.861 16.485 -1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 64 27.739 14.892 0.545 1.00 0.00 H new ATOM 0 HH12 ARG A 64 29.020 14.390 -0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 64 27.510 15.836 -3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 64 28.892 14.922 -2.787 1.00 0.00 H new ATOM 1013 N VAL A 65 22.025 13.657 -3.117 1.00 0.00 N ATOM 1014 CA VAL A 65 20.922 12.795 -3.526 1.00 0.00 C ATOM 1015 C VAL A 65 21.223 11.333 -3.214 1.00 0.00 C ATOM 1016 O VAL A 65 20.325 10.564 -2.871 1.00 0.00 O ATOM 1017 CB VAL A 65 20.628 12.937 -5.032 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.400 12.125 -5.415 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.447 14.401 -5.403 1.00 0.00 C ATOM 0 H VAL A 65 22.527 14.095 -3.890 1.00 0.00 H new ATOM 0 HA VAL A 65 20.046 13.112 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 65 21.480 12.547 -5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 65 19.208 12.237 -6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.573 11.073 -5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.538 12.482 -4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 65 20.240 14.483 -6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.613 14.819 -4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.358 14.952 -5.167 1.00 0.00 H new ATOM 1029 N SER A 66 22.492 10.957 -3.335 1.00 0.00 N ATOM 1030 CA SER A 66 22.911 9.586 -3.068 1.00 0.00 C ATOM 1031 C SER A 66 24.107 9.558 -2.121 1.00 0.00 C ATOM 1032 O SER A 66 24.970 10.434 -2.166 1.00 0.00 O ATOM 1033 CB SER A 66 23.266 8.875 -4.376 1.00 0.00 C ATOM 1034 OG SER A 66 23.778 7.577 -4.128 1.00 0.00 O ATOM 0 H SER A 66 23.247 11.582 -3.616 1.00 0.00 H new ATOM 0 HA SER A 66 22.080 9.065 -2.592 1.00 0.00 H new ATOM 0 HB2 SER A 66 22.380 8.805 -5.008 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.003 9.462 -4.924 1.00 0.00 H new ATOM 0 HG SER A 66 23.996 7.143 -4.979 1.00 0.00 H new ATOM 1040 N SER A 67 24.149 8.544 -1.262 1.00 0.00 N ATOM 1041 CA SER A 67 25.237 8.402 -0.301 1.00 0.00 C ATOM 1042 C SER A 67 26.542 8.046 -1.006 1.00 0.00 C ATOM 1043 O SER A 67 27.596 7.955 -0.375 1.00 0.00 O ATOM 1044 CB SER A 67 24.894 7.328 0.734 1.00 0.00 C ATOM 1045 OG SER A 67 25.678 7.479 1.904 1.00 0.00 O ATOM 0 H SER A 67 23.443 7.810 -1.212 1.00 0.00 H new ATOM 0 HA SER A 67 25.368 9.358 0.206 1.00 0.00 H new ATOM 0 HB2 SER A 67 23.836 7.390 0.991 1.00 0.00 H new ATOM 0 HB3 SER A 67 25.061 6.340 0.306 1.00 0.00 H new ATOM 0 HG SER A 67 26.608 7.658 1.653 1.00 0.00 H new ATOM 1051 N ASP A 68 26.464 7.847 -2.317 1.00 0.00 N ATOM 1052 CA ASP A 68 27.639 7.504 -3.109 1.00 0.00 C ATOM 1053 C ASP A 68 28.171 8.726 -3.851 1.00 0.00 C ATOM 1054 O ASP A 68 28.762 8.605 -4.923 1.00 0.00 O ATOM 1055 CB ASP A 68 27.301 6.394 -4.106 1.00 0.00 C ATOM 1056 CG ASP A 68 26.509 5.267 -3.472 1.00 0.00 C ATOM 1057 OD1 ASP A 68 26.994 4.689 -2.477 1.00 0.00 O ATOM 1058 OD2 ASP A 68 25.406 4.963 -3.971 1.00 0.00 O ATOM 0 H ASP A 68 25.599 7.917 -2.854 1.00 0.00 H new ATOM 0 HA ASP A 68 28.414 7.149 -2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 68 26.730 6.815 -4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 68 28.224 5.994 -4.526 1.00 0.00 H new ATOM 1063 N ASN A 69 27.955 9.903 -3.273 1.00 0.00 N ATOM 1064 CA ASN A 69 28.410 11.148 -3.881 1.00 0.00 C ATOM 1065 C ASN A 69 27.927 11.257 -5.324 1.00 0.00 C ATOM 1066 O ASN A 69 28.600 11.840 -6.173 1.00 0.00 O ATOM 1067 CB ASN A 69 29.937 11.235 -3.834 1.00 0.00 C ATOM 1068 CG ASN A 69 30.482 11.083 -2.427 1.00 0.00 C ATOM 1069 OD1 ASN A 69 31.190 10.123 -2.124 1.00 0.00 O ATOM 1070 ND2 ASN A 69 30.153 12.034 -1.560 1.00 0.00 N ATOM 0 H ASN A 69 27.468 10.021 -2.385 1.00 0.00 H new ATOM 0 HA ASN A 69 27.988 11.976 -3.312 1.00 0.00 H new ATOM 0 HB2 ASN A 69 30.362 10.459 -4.471 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.256 12.194 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 69 30.490 11.986 -0.598 1.00 0.00 H new ATOM 0 HD22 ASN A 69 29.563 12.812 -1.856 1.00 0.00 H new ATOM 1077 N GLY A 70 26.754 10.692 -5.594 1.00 0.00 N ATOM 1078 CA GLY A 70 26.200 10.737 -6.935 1.00 0.00 C ATOM 1079 C GLY A 70 26.981 9.883 -7.914 1.00 0.00 C ATOM 1080 O GLY A 70 27.145 10.253 -9.076 1.00 0.00 O ATOM 0 H GLY A 70 26.178 10.204 -4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.164 10.399 -6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.189 11.769 -7.286 1.00 0.00 H new ATOM 1084 N GLN A 71 27.464 8.737 -7.442 1.00 0.00 N ATOM 1085 CA GLN A 71 28.234 7.830 -8.285 1.00 0.00 C ATOM 1086 C GLN A 71 27.315 6.869 -9.031 1.00 0.00 C ATOM 1087 O GLN A 71 27.500 6.617 -10.222 1.00 0.00 O ATOM 1088 CB GLN A 71 29.236 7.043 -7.439 1.00 0.00 C ATOM 1089 CG GLN A 71 29.936 5.930 -8.203 1.00 0.00 C ATOM 1090 CD GLN A 71 31.194 6.405 -8.904 1.00 0.00 C ATOM 1091 OE1 GLN A 71 32.306 6.046 -8.518 1.00 0.00 O ATOM 1092 NE2 GLN A 71 31.024 7.217 -9.941 1.00 0.00 N ATOM 0 H GLN A 71 27.336 8.416 -6.482 1.00 0.00 H new ATOM 0 HA GLN A 71 28.777 8.427 -9.018 1.00 0.00 H new ATOM 0 HB2 GLN A 71 29.986 7.730 -7.046 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.717 6.613 -6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.191 5.125 -7.513 1.00 0.00 H new ATOM 0 HG3 GLN A 71 29.250 5.513 -8.940 1.00 0.00 H new ATOM 0 HE21 GLN A 71 30.083 7.489 -10.227 1.00 0.00 H new ATOM 0 HE22 GLN A 71 31.834 7.568 -10.452 1.00 0.00 H new ATOM 1101 N ARG A 72 26.325 6.334 -8.324 1.00 0.00 N ATOM 1102 CA ARG A 72 25.379 5.398 -8.919 1.00 0.00 C ATOM 1103 C ARG A 72 24.797 5.962 -10.211 1.00 0.00 C ATOM 1104 O ARG A 72 24.815 5.304 -11.253 1.00 0.00 O ATOM 1105 CB ARG A 72 24.252 5.083 -7.934 1.00 0.00 C ATOM 1106 CG ARG A 72 23.259 4.056 -8.453 1.00 0.00 C ATOM 1107 CD ARG A 72 22.514 3.377 -7.314 1.00 0.00 C ATOM 1108 NE ARG A 72 23.261 2.247 -6.768 1.00 0.00 N ATOM 1109 CZ ARG A 72 22.923 1.615 -5.649 1.00 0.00 C ATOM 1110 NH1 ARG A 72 21.856 2.000 -4.963 1.00 0.00 N ATOM 1111 NH2 ARG A 72 23.653 0.595 -5.216 1.00 0.00 N ATOM 0 H ARG A 72 26.157 6.533 -7.338 1.00 0.00 H new ATOM 0 HA ARG A 72 25.915 4.478 -9.153 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.686 4.718 -7.003 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.719 6.004 -7.698 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.545 4.542 -9.118 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.785 3.306 -9.044 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.323 4.102 -6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.544 3.032 -7.671 1.00 0.00 H new ATOM 0 HE ARG A 72 24.087 1.926 -7.273 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.292 2.783 -5.294 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.599 1.513 -4.104 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.474 0.296 -5.742 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.393 0.110 -4.357 1.00 0.00 H new ATOM 1125 N LEU A 73 24.280 7.184 -10.137 1.00 0.00 N ATOM 1126 CA LEU A 73 23.690 7.837 -11.300 1.00 0.00 C ATOM 1127 C LEU A 73 24.738 8.072 -12.383 1.00 0.00 C ATOM 1128 O LEU A 73 24.595 7.603 -13.513 1.00 0.00 O ATOM 1129 CB LEU A 73 23.052 9.166 -10.894 1.00 0.00 C ATOM 1130 CG LEU A 73 22.387 9.963 -12.018 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.259 9.160 -12.647 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.869 11.294 -11.494 1.00 0.00 C ATOM 0 H LEU A 73 24.258 7.742 -9.284 1.00 0.00 H new ATOM 0 HA LEU A 73 22.920 7.180 -11.703 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.305 8.968 -10.125 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.820 9.791 -10.438 1.00 0.00 H new ATOM 0 HG LEU A 73 23.134 10.164 -12.786 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.798 9.743 -13.444 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.658 8.233 -13.059 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.511 8.927 -11.889 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.399 11.847 -12.307 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.137 11.115 -10.707 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.699 11.875 -11.092 1.00 0.00 H new ATOM 1144 N LEU A 74 25.792 8.800 -12.030 1.00 0.00 N ATOM 1145 CA LEU A 74 26.866 9.097 -12.971 1.00 0.00 C ATOM 1146 C LEU A 74 27.255 7.853 -13.765 1.00 0.00 C ATOM 1147 O LEU A 74 27.467 7.918 -14.976 1.00 0.00 O ATOM 1148 CB LEU A 74 28.086 9.643 -12.228 1.00 0.00 C ATOM 1149 CG LEU A 74 28.050 11.132 -11.881 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.311 11.537 -11.133 1.00 0.00 C ATOM 1151 CD2 LEU A 74 27.883 11.969 -13.141 1.00 0.00 C ATOM 0 H LEU A 74 25.926 9.195 -11.099 1.00 0.00 H new ATOM 0 HA LEU A 74 26.505 9.853 -13.669 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.206 9.078 -11.304 1.00 0.00 H new ATOM 0 HB3 LEU A 74 28.971 9.453 -12.835 1.00 0.00 H new ATOM 0 HG LEU A 74 27.193 11.313 -11.232 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.267 12.600 -10.895 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.388 10.961 -10.211 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.183 11.341 -11.757 1.00 0.00 H new ATOM 0 HD21 LEU A 74 27.859 13.026 -12.875 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.719 11.783 -13.815 1.00 0.00 H new ATOM 0 HD23 LEU A 74 26.951 11.699 -13.637 1.00 0.00 H new ATOM 1163 N ASP A 75 27.344 6.722 -13.074 1.00 0.00 N ATOM 1164 CA ASP A 75 27.703 5.462 -13.715 1.00 0.00 C ATOM 1165 C ASP A 75 26.599 4.999 -14.660 1.00 0.00 C ATOM 1166 O ASP A 75 26.869 4.556 -15.776 1.00 0.00 O ATOM 1167 CB ASP A 75 27.972 4.387 -12.660 1.00 0.00 C ATOM 1168 CG ASP A 75 28.997 3.369 -13.119 1.00 0.00 C ATOM 1169 OD1 ASP A 75 28.876 2.879 -14.260 1.00 0.00 O ATOM 1170 OD2 ASP A 75 29.921 3.063 -12.336 1.00 0.00 O ATOM 0 H ASP A 75 27.173 6.652 -12.071 1.00 0.00 H new ATOM 0 HA ASP A 75 28.610 5.625 -14.297 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.321 4.861 -11.743 1.00 0.00 H new ATOM 0 HB3 ASP A 75 27.039 3.876 -12.420 1.00 0.00 H new ATOM 1175 N MET A 76 25.355 5.103 -14.204 1.00 0.00 N ATOM 1176 CA MET A 76 24.209 4.695 -15.010 1.00 0.00 C ATOM 1177 C MET A 76 24.110 5.536 -16.278 1.00 0.00 C ATOM 1178 O MET A 76 23.755 5.030 -17.343 1.00 0.00 O ATOM 1179 CB MET A 76 22.918 4.819 -14.199 1.00 0.00 C ATOM 1180 CG MET A 76 22.765 3.746 -13.133 1.00 0.00 C ATOM 1181 SD MET A 76 22.889 2.077 -13.804 1.00 0.00 S ATOM 1182 CE MET A 76 21.529 2.079 -14.970 1.00 0.00 C ATOM 0 H MET A 76 25.114 5.466 -13.282 1.00 0.00 H new ATOM 0 HA MET A 76 24.350 3.653 -15.297 1.00 0.00 H new ATOM 0 HB2 MET A 76 22.890 5.799 -13.723 1.00 0.00 H new ATOM 0 HB3 MET A 76 22.066 4.770 -14.877 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.532 3.885 -12.371 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.800 3.864 -12.640 1.00 0.00 H new ATOM 0 HE1 MET A 76 21.141 1.066 -15.078 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.738 2.734 -14.605 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.880 2.439 -15.937 1.00 0.00 H new ATOM 1192 N ILE A 77 24.424 6.822 -16.156 1.00 0.00 N ATOM 1193 CA ILE A 77 24.370 7.732 -17.293 1.00 0.00 C ATOM 1194 C ILE A 77 25.595 7.568 -18.187 1.00 0.00 C ATOM 1195 O ILE A 77 25.485 7.564 -19.412 1.00 0.00 O ATOM 1196 CB ILE A 77 24.274 9.199 -16.836 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.111 9.376 -15.857 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.108 10.119 -18.037 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.073 10.740 -15.204 1.00 0.00 C ATOM 0 H ILE A 77 24.718 7.256 -15.281 1.00 0.00 H new ATOM 0 HA ILE A 77 23.474 7.477 -17.859 1.00 0.00 H new ATOM 0 HB ILE A 77 25.199 9.466 -16.324 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.173 9.209 -16.386 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.180 8.613 -15.082 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.042 11.153 -17.697 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.966 10.010 -18.700 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.197 9.855 -18.575 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.223 10.794 -14.523 1.00 0.00 H new ATOM 0 HD12 ILE A 77 23.995 10.902 -14.647 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.973 11.508 -15.971 1.00 0.00 H new ATOM 1211 N GLU A 78 26.761 7.433 -17.564 1.00 0.00 N ATOM 1212 CA GLU A 78 28.007 7.267 -18.303 1.00 0.00 C ATOM 1213 C GLU A 78 27.809 6.344 -19.502 1.00 0.00 C ATOM 1214 O GLU A 78 28.388 6.558 -20.568 1.00 0.00 O ATOM 1215 CB GLU A 78 29.098 6.705 -17.389 1.00 0.00 C ATOM 1216 CG GLU A 78 30.500 7.149 -17.771 1.00 0.00 C ATOM 1217 CD GLU A 78 31.570 6.206 -17.256 1.00 0.00 C ATOM 1218 OE1 GLU A 78 31.533 5.864 -16.056 1.00 0.00 O ATOM 1219 OE2 GLU A 78 32.445 5.811 -18.055 1.00 0.00 O ATOM 0 H GLU A 78 26.869 7.435 -16.550 1.00 0.00 H new ATOM 0 HA GLU A 78 28.317 8.247 -18.667 1.00 0.00 H new ATOM 0 HB2 GLU A 78 28.895 7.013 -16.363 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.052 5.616 -17.410 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.573 7.217 -18.856 1.00 0.00 H new ATOM 0 HG3 GLU A 78 30.681 8.149 -17.376 1.00 0.00 H new ATOM 1226 N THR A 79 26.985 5.316 -19.321 1.00 0.00 N ATOM 1227 CA THR A 79 26.711 4.359 -20.386 1.00 0.00 C ATOM 1228 C THR A 79 25.810 4.969 -21.454 1.00 0.00 C ATOM 1229 O THR A 79 25.951 4.675 -22.642 1.00 0.00 O ATOM 1230 CB THR A 79 26.046 3.083 -19.837 1.00 0.00 C ATOM 1231 OG1 THR A 79 26.319 1.977 -20.704 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.542 3.270 -19.704 1.00 0.00 C ATOM 0 H THR A 79 26.496 5.125 -18.447 1.00 0.00 H new ATOM 0 HA THR A 79 27.671 4.097 -20.831 1.00 0.00 H new ATOM 0 HB THR A 79 26.460 2.881 -18.849 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.894 1.169 -20.347 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.095 2.356 -19.314 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.337 4.094 -19.021 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.115 3.495 -20.682 1.00 0.00 H new ATOM 1240 N LEU A 80 24.884 5.820 -21.025 1.00 0.00 N ATOM 1241 CA LEU A 80 23.959 6.472 -21.945 1.00 0.00 C ATOM 1242 C LEU A 80 24.714 7.308 -22.974 1.00 0.00 C ATOM 1243 O LEU A 80 24.245 7.503 -24.096 1.00 0.00 O ATOM 1244 CB LEU A 80 22.980 7.357 -21.172 1.00 0.00 C ATOM 1245 CG LEU A 80 22.009 6.630 -20.241 1.00 0.00 C ATOM 1246 CD1 LEU A 80 20.866 7.549 -19.840 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.476 5.370 -20.905 1.00 0.00 C ATOM 0 H LEU A 80 24.754 6.074 -20.046 1.00 0.00 H new ATOM 0 HA LEU A 80 23.402 5.697 -22.471 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.555 8.069 -20.580 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.399 7.935 -21.890 1.00 0.00 H new ATOM 0 HG LEU A 80 22.548 6.340 -19.339 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.185 7.015 -19.178 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.265 8.422 -19.323 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.327 7.870 -20.732 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.787 4.866 -20.228 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.953 5.636 -21.823 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.306 4.704 -21.140 1.00 0.00 H new ATOM 1259 N LYS A 81 25.887 7.796 -22.587 1.00 0.00 N ATOM 1260 CA LYS A 81 26.710 8.609 -23.475 1.00 0.00 C ATOM 1261 C LYS A 81 27.594 7.729 -24.354 1.00 0.00 C ATOM 1262 O LYS A 81 27.595 7.860 -25.577 1.00 0.00 O ATOM 1263 CB LYS A 81 27.578 9.572 -22.662 1.00 0.00 C ATOM 1264 CG LYS A 81 26.804 10.740 -22.076 1.00 0.00 C ATOM 1265 CD LYS A 81 26.346 10.450 -20.657 1.00 0.00 C ATOM 1266 CE LYS A 81 27.337 10.979 -19.632 1.00 0.00 C ATOM 1267 NZ LYS A 81 28.699 10.411 -19.833 1.00 0.00 N ATOM 0 H LYS A 81 26.290 7.643 -21.663 1.00 0.00 H new ATOM 0 HA LYS A 81 26.046 9.185 -24.119 1.00 0.00 H new ATOM 0 HB2 LYS A 81 28.057 9.021 -21.852 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.374 9.957 -23.300 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.430 11.632 -22.082 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.938 10.954 -22.702 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.370 10.904 -20.489 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.224 9.375 -20.526 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.383 12.066 -19.699 1.00 0.00 H new ATOM 0 HE3 LYS A 81 26.987 10.736 -18.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.232 10.464 -18.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.620 9.418 -20.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 29.197 10.954 -20.567 1.00 0.00 H new ATOM 1281 N MET A 82 28.344 6.833 -23.721 1.00 0.00 N ATOM 1282 CA MET A 82 29.231 5.931 -24.446 1.00 0.00 C ATOM 1283 C MET A 82 28.479 5.208 -25.559 1.00 0.00 C ATOM 1284 O MET A 82 29.046 4.909 -26.610 1.00 0.00 O ATOM 1285 CB MET A 82 29.851 4.912 -23.488 1.00 0.00 C ATOM 1286 CG MET A 82 29.021 3.649 -23.323 1.00 0.00 C ATOM 1287 SD MET A 82 29.905 2.347 -22.443 1.00 0.00 S ATOM 1288 CE MET A 82 30.296 3.183 -20.907 1.00 0.00 C ATOM 0 H MET A 82 28.355 6.712 -22.708 1.00 0.00 H new ATOM 0 HA MET A 82 30.026 6.526 -24.896 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.842 4.641 -23.851 1.00 0.00 H new ATOM 0 HB3 MET A 82 29.986 5.378 -22.512 1.00 0.00 H new ATOM 0 HG2 MET A 82 28.105 3.889 -22.784 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.726 3.282 -24.306 1.00 0.00 H new ATOM 0 HE1 MET A 82 31.371 3.356 -20.850 1.00 0.00 H new ATOM 0 HE2 MET A 82 29.773 4.138 -20.869 1.00 0.00 H new ATOM 0 HE3 MET A 82 29.983 2.564 -20.066 1.00 0.00 H new ATOM 1298 N GLU A 83 27.201 4.930 -25.321 1.00 0.00 N ATOM 1299 CA GLU A 83 26.374 4.241 -26.304 1.00 0.00 C ATOM 1300 C GLU A 83 25.773 5.230 -27.299 1.00 0.00 C ATOM 1301 O GLU A 83 25.251 4.838 -28.343 1.00 0.00 O ATOM 1302 CB GLU A 83 25.258 3.460 -25.607 1.00 0.00 C ATOM 1303 CG GLU A 83 25.764 2.342 -24.712 1.00 0.00 C ATOM 1304 CD GLU A 83 24.748 1.231 -24.535 1.00 0.00 C ATOM 1305 OE1 GLU A 83 24.111 0.845 -25.537 1.00 0.00 O ATOM 1306 OE2 GLU A 83 24.589 0.747 -23.394 1.00 0.00 O ATOM 0 H GLU A 83 26.716 5.171 -24.456 1.00 0.00 H new ATOM 0 HA GLU A 83 27.009 3.544 -26.850 1.00 0.00 H new ATOM 0 HB2 GLU A 83 24.662 4.150 -25.010 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.596 3.037 -26.362 1.00 0.00 H new ATOM 0 HG2 GLU A 83 26.679 1.928 -25.136 1.00 0.00 H new ATOM 0 HG3 GLU A 83 26.022 2.752 -23.736 1.00 0.00 H new ATOM 1313 N HIS A 84 25.851 6.515 -26.967 1.00 0.00 N ATOM 1314 CA HIS A 84 25.316 7.561 -27.831 1.00 0.00 C ATOM 1315 C HIS A 84 26.384 8.070 -28.794 1.00 0.00 C ATOM 1316 O HIS A 84 27.580 7.986 -28.511 1.00 0.00 O ATOM 1317 CB HIS A 84 24.777 8.719 -26.991 1.00 0.00 C ATOM 1318 CG HIS A 84 24.344 9.900 -27.805 1.00 0.00 C ATOM 1319 ND1 HIS A 84 23.025 10.276 -27.943 1.00 0.00 N ATOM 1320 CD2 HIS A 84 25.065 10.790 -28.525 1.00 0.00 C ATOM 1321 CE1 HIS A 84 22.953 11.346 -28.714 1.00 0.00 C ATOM 1322 NE2 HIS A 84 24.178 11.679 -29.081 1.00 0.00 N ATOM 0 H HIS A 84 26.279 6.856 -26.107 1.00 0.00 H new ATOM 0 HA HIS A 84 24.500 7.134 -28.414 1.00 0.00 H new ATOM 0 HB2 HIS A 84 23.932 8.366 -26.400 1.00 0.00 H new ATOM 0 HB3 HIS A 84 25.547 9.036 -26.288 1.00 0.00 H new ATOM 0 HD2 HIS A 84 26.139 10.800 -28.641 1.00 0.00 H new ATOM 0 HE1 HIS A 84 22.047 11.861 -28.997 1.00 0.00 H new ATOM 0 HE2 HIS A 84 24.425 12.467 -29.679 1.00 0.00 H new ATOM 1330 N HIS A 85 25.945 8.596 -29.933 1.00 0.00 N ATOM 1331 CA HIS A 85 26.864 9.118 -30.938 1.00 0.00 C ATOM 1332 C HIS A 85 27.643 10.312 -30.394 1.00 0.00 C ATOM 1333 O HIS A 85 27.324 11.462 -30.694 1.00 0.00 O ATOM 1334 CB HIS A 85 26.098 9.525 -32.197 1.00 0.00 C ATOM 1335 CG HIS A 85 25.353 8.395 -32.837 1.00 0.00 C ATOM 1336 ND1 HIS A 85 24.313 7.654 -32.388 1.00 0.00 N flip ATOM 1337 CD2 HIS A 85 25.656 7.907 -34.090 1.00 0.00 C flip ATOM 1338 CE1 HIS A 85 24.008 6.742 -33.369 1.00 0.00 C flip ATOM 1339 NE2 HIS A 85 24.833 6.916 -34.386 1.00 0.00 N flip ATOM 0 H HIS A 85 24.959 8.672 -30.183 1.00 0.00 H new ATOM 0 HA HIS A 85 27.572 8.329 -31.192 1.00 0.00 H new ATOM 0 HB2 HIS A 85 25.393 10.316 -31.943 1.00 0.00 H new ATOM 0 HB3 HIS A 85 26.799 9.942 -32.920 1.00 0.00 H new ATOM 0 HD2 HIS A 85 26.443 8.277 -34.730 1.00 0.00 H new ATOM 0 HE1 HIS A 85 23.222 6.003 -33.317 1.00 0.00 H new ATOM 0 HE2 HIS A 85 24.835 6.377 -35.252 1.00 0.00 H new ATOM 1347 N MET A 86 28.666 10.029 -29.593 1.00 0.00 N ATOM 1348 CA MET A 86 29.490 11.080 -29.008 1.00 0.00 C ATOM 1349 C MET A 86 30.896 11.061 -29.600 1.00 0.00 C ATOM 1350 O MET A 86 31.271 10.121 -30.299 1.00 0.00 O ATOM 1351 CB MET A 86 29.561 10.916 -27.489 1.00 0.00 C ATOM 1352 CG MET A 86 28.253 11.231 -26.782 1.00 0.00 C ATOM 1353 SD MET A 86 27.660 12.898 -27.130 1.00 0.00 S ATOM 1354 CE MET A 86 26.126 12.912 -26.205 1.00 0.00 C ATOM 0 H MET A 86 28.943 9.082 -29.335 1.00 0.00 H new ATOM 0 HA MET A 86 29.030 12.040 -29.241 1.00 0.00 H new ATOM 0 HB2 MET A 86 29.853 9.892 -27.256 1.00 0.00 H new ATOM 0 HB3 MET A 86 30.342 11.568 -27.098 1.00 0.00 H new ATOM 0 HG2 MET A 86 27.496 10.509 -27.088 1.00 0.00 H new ATOM 0 HG3 MET A 86 28.388 11.115 -25.707 1.00 0.00 H new ATOM 0 HE1 MET A 86 25.295 13.112 -26.882 1.00 0.00 H new ATOM 0 HE2 MET A 86 25.980 11.943 -25.727 1.00 0.00 H new ATOM 0 HE3 MET A 86 26.168 13.690 -25.443 1.00 0.00 H new ATOM 1364 N GLU A 87 31.668 12.105 -29.314 1.00 0.00 N ATOM 1365 CA GLU A 87 33.032 12.206 -29.820 1.00 0.00 C ATOM 1366 C GLU A 87 34.045 12.041 -28.690 1.00 0.00 C ATOM 1367 O GLU A 87 35.147 11.536 -28.900 1.00 0.00 O ATOM 1368 CB GLU A 87 33.242 13.553 -30.516 1.00 0.00 C ATOM 1369 CG GLU A 87 34.596 13.683 -31.193 1.00 0.00 C ATOM 1370 CD GLU A 87 34.681 14.896 -32.098 1.00 0.00 C ATOM 1371 OE1 GLU A 87 34.011 15.907 -31.799 1.00 0.00 O ATOM 1372 OE2 GLU A 87 35.417 14.835 -33.106 1.00 0.00 O ATOM 0 H GLU A 87 31.373 12.892 -28.736 1.00 0.00 H new ATOM 0 HA GLU A 87 33.186 11.404 -30.542 1.00 0.00 H new ATOM 0 HB2 GLU A 87 32.458 13.694 -31.260 1.00 0.00 H new ATOM 0 HB3 GLU A 87 33.133 14.352 -29.783 1.00 0.00 H new ATOM 0 HG2 GLU A 87 35.374 13.747 -30.432 1.00 0.00 H new ATOM 0 HG3 GLU A 87 34.794 12.784 -31.777 1.00 0.00 H new ATOM 1379 N ALA A 88 33.662 12.472 -27.493 1.00 0.00 N ATOM 1380 CA ALA A 88 34.536 12.372 -26.330 1.00 0.00 C ATOM 1381 C ALA A 88 34.758 10.916 -25.934 1.00 0.00 C ATOM 1382 O ALA A 88 33.854 10.087 -26.044 1.00 0.00 O ATOM 1383 CB ALA A 88 33.953 13.155 -25.163 1.00 0.00 C ATOM 0 H ALA A 88 32.753 12.894 -27.303 1.00 0.00 H new ATOM 0 HA ALA A 88 35.502 12.801 -26.595 1.00 0.00 H new ATOM 0 HB1 ALA A 88 34.616 13.072 -24.302 1.00 0.00 H new ATOM 0 HB2 ALA A 88 33.852 14.204 -25.443 1.00 0.00 H new ATOM 0 HB3 ALA A 88 32.973 12.751 -24.907 1.00 0.00 H new ATOM 1389 N HIS A 89 35.967 10.611 -25.474 1.00 0.00 N ATOM 1390 CA HIS A 89 36.308 9.254 -25.062 1.00 0.00 C ATOM 1391 C HIS A 89 36.718 9.219 -23.593 1.00 0.00 C ATOM 1392 O HIS A 89 37.634 9.928 -23.176 1.00 0.00 O ATOM 1393 CB HIS A 89 37.438 8.702 -25.932 1.00 0.00 C ATOM 1394 CG HIS A 89 38.616 9.621 -26.037 1.00 0.00 C ATOM 1395 ND1 HIS A 89 38.760 10.806 -26.675 1.00 0.00 N flip ATOM 1396 CD2 HIS A 89 39.831 9.358 -25.442 1.00 0.00 C flip ATOM 1397 CE1 HIS A 89 40.046 11.233 -26.455 1.00 0.00 C flip ATOM 1398 NE2 HIS A 89 40.672 10.342 -25.708 1.00 0.00 N flip ATOM 0 H HIS A 89 36.727 11.285 -25.377 1.00 0.00 H new ATOM 0 HA HIS A 89 35.424 8.630 -25.189 1.00 0.00 H new ATOM 0 HB2 HIS A 89 37.768 7.747 -25.522 1.00 0.00 H new ATOM 0 HB3 HIS A 89 37.052 8.504 -26.932 1.00 0.00 H new ATOM 0 HD2 HIS A 89 40.060 8.484 -24.851 1.00 0.00 H new ATOM 0 HE1 HIS A 89 40.476 12.149 -26.832 1.00 0.00 H new ATOM 0 HE2 HIS A 89 41.639 10.403 -25.391 1.00 0.00 H new ATOM 1406 N LYS A 90 36.034 8.390 -22.811 1.00 0.00 N ATOM 1407 CA LYS A 90 36.326 8.262 -21.389 1.00 0.00 C ATOM 1408 C LYS A 90 37.015 6.934 -21.092 1.00 0.00 C ATOM 1409 O LYS A 90 37.846 6.844 -20.189 1.00 0.00 O ATOM 1410 CB LYS A 90 35.038 8.374 -20.570 1.00 0.00 C ATOM 1411 CG LYS A 90 34.074 9.425 -21.094 1.00 0.00 C ATOM 1412 CD LYS A 90 34.375 10.796 -20.513 1.00 0.00 C ATOM 1413 CE LYS A 90 33.367 11.834 -20.983 1.00 0.00 C ATOM 1414 NZ LYS A 90 33.860 13.223 -20.767 1.00 0.00 N ATOM 0 H LYS A 90 35.273 7.796 -23.139 1.00 0.00 H new ATOM 0 HA LYS A 90 37.000 9.072 -21.108 1.00 0.00 H new ATOM 0 HB2 LYS A 90 34.537 7.406 -20.561 1.00 0.00 H new ATOM 0 HB3 LYS A 90 35.293 8.610 -19.537 1.00 0.00 H new ATOM 0 HG2 LYS A 90 34.137 9.468 -22.181 1.00 0.00 H new ATOM 0 HG3 LYS A 90 33.052 9.139 -20.845 1.00 0.00 H new ATOM 0 HD2 LYS A 90 34.362 10.742 -19.424 1.00 0.00 H new ATOM 0 HD3 LYS A 90 35.379 11.104 -20.805 1.00 0.00 H new ATOM 0 HE2 LYS A 90 33.158 11.683 -22.042 1.00 0.00 H new ATOM 0 HE3 LYS A 90 32.427 11.695 -20.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 33.145 13.901 -21.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 34.036 13.375 -19.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 34.744 13.364 -21.297 1.00 0.00 H new ATOM 1428 N ASN A 91 36.666 5.907 -21.859 1.00 0.00 N ATOM 1429 CA ASN A 91 37.252 4.584 -21.679 1.00 0.00 C ATOM 1430 C ASN A 91 38.470 4.401 -22.579 1.00 0.00 C ATOM 1431 O ASN A 91 39.538 3.995 -22.120 1.00 0.00 O ATOM 1432 CB ASN A 91 36.215 3.499 -21.978 1.00 0.00 C ATOM 1433 CG ASN A 91 36.786 2.100 -21.841 1.00 0.00 C ATOM 1434 OD1 ASN A 91 37.172 1.476 -22.829 1.00 0.00 O ATOM 1435 ND2 ASN A 91 36.841 1.602 -20.611 1.00 0.00 N ATOM 0 H ASN A 91 35.980 5.965 -22.612 1.00 0.00 H new ATOM 0 HA ASN A 91 37.573 4.494 -20.641 1.00 0.00 H new ATOM 0 HB2 ASN A 91 35.369 3.611 -21.299 1.00 0.00 H new ATOM 0 HB3 ASN A 91 35.832 3.635 -22.989 1.00 0.00 H new ATOM 0 HD21 ASN A 91 37.215 0.666 -20.456 1.00 0.00 H new ATOM 0 HD22 ASN A 91 36.509 2.156 -19.821 1.00 0.00 H new ATOM 1442 N SER A 92 38.301 4.703 -23.862 1.00 0.00 N ATOM 1443 CA SER A 92 39.386 4.569 -24.828 1.00 0.00 C ATOM 1444 C SER A 92 39.018 5.230 -26.153 1.00 0.00 C ATOM 1445 O SER A 92 37.886 5.120 -26.621 1.00 0.00 O ATOM 1446 CB SER A 92 39.714 3.092 -25.056 1.00 0.00 C ATOM 1447 OG SER A 92 38.608 2.404 -25.614 1.00 0.00 O ATOM 0 H SER A 92 37.424 5.042 -24.257 1.00 0.00 H new ATOM 0 HA SER A 92 40.265 5.071 -24.423 1.00 0.00 H new ATOM 0 HB2 SER A 92 40.573 3.006 -25.721 1.00 0.00 H new ATOM 0 HB3 SER A 92 39.995 2.629 -24.110 1.00 0.00 H new ATOM 0 HG SER A 92 38.049 2.045 -24.894 1.00 0.00 H new ATOM 1453 N GLY A 93 39.985 5.919 -26.752 1.00 0.00 N ATOM 1454 CA GLY A 93 39.745 6.588 -28.017 1.00 0.00 C ATOM 1455 C GLY A 93 41.030 6.949 -28.735 1.00 0.00 C ATOM 1456 O GLY A 93 41.604 8.018 -28.527 1.00 0.00 O ATOM 0 H GLY A 93 40.930 6.026 -26.383 1.00 0.00 H new ATOM 0 HA2 GLY A 93 39.144 5.943 -28.657 1.00 0.00 H new ATOM 0 HA3 GLY A 93 39.164 7.493 -27.841 1.00 0.00 H new ATOM 1460 N PRO A 94 41.503 6.042 -29.602 1.00 0.00 N ATOM 1461 CA PRO A 94 42.734 6.247 -30.371 1.00 0.00 C ATOM 1462 C PRO A 94 42.579 7.328 -31.435 1.00 0.00 C ATOM 1463 O PRO A 94 42.210 7.042 -32.574 1.00 0.00 O ATOM 1464 CB PRO A 94 42.976 4.884 -31.024 1.00 0.00 C ATOM 1465 CG PRO A 94 41.627 4.258 -31.105 1.00 0.00 C ATOM 1466 CD PRO A 94 40.872 4.745 -29.900 1.00 0.00 C ATOM 0 HA PRO A 94 43.557 6.585 -29.741 1.00 0.00 H new ATOM 0 HB2 PRO A 94 43.422 4.992 -32.013 1.00 0.00 H new ATOM 0 HB3 PRO A 94 43.659 4.276 -30.431 1.00 0.00 H new ATOM 0 HG2 PRO A 94 41.119 4.544 -32.026 1.00 0.00 H new ATOM 0 HG3 PRO A 94 41.701 3.171 -31.106 1.00 0.00 H new ATOM 0 HD2 PRO A 94 39.808 4.855 -30.110 1.00 0.00 H new ATOM 0 HD3 PRO A 94 40.962 4.053 -29.063 1.00 0.00 H new ATOM 1474 N SER A 95 42.864 8.570 -31.057 1.00 0.00 N ATOM 1475 CA SER A 95 42.753 9.694 -31.979 1.00 0.00 C ATOM 1476 C SER A 95 43.721 10.809 -31.595 1.00 0.00 C ATOM 1477 O SER A 95 44.474 10.687 -30.629 1.00 0.00 O ATOM 1478 CB SER A 95 41.320 10.231 -31.993 1.00 0.00 C ATOM 1479 OG SER A 95 40.869 10.514 -30.680 1.00 0.00 O ATOM 0 H SER A 95 43.173 8.823 -30.119 1.00 0.00 H new ATOM 0 HA SER A 95 43.011 9.339 -32.977 1.00 0.00 H new ATOM 0 HB2 SER A 95 41.273 11.135 -32.600 1.00 0.00 H new ATOM 0 HB3 SER A 95 40.659 9.500 -32.458 1.00 0.00 H new ATOM 0 HG SER A 95 39.952 10.857 -30.716 1.00 0.00 H new ATOM 1485 N SER A 96 43.696 11.896 -32.360 1.00 0.00 N ATOM 1486 CA SER A 96 44.574 13.032 -32.104 1.00 0.00 C ATOM 1487 C SER A 96 44.229 13.696 -30.774 1.00 0.00 C ATOM 1488 O SER A 96 43.121 14.197 -30.587 1.00 0.00 O ATOM 1489 CB SER A 96 44.469 14.051 -33.239 1.00 0.00 C ATOM 1490 OG SER A 96 44.744 13.450 -34.492 1.00 0.00 O ATOM 0 H SER A 96 43.077 12.014 -33.162 1.00 0.00 H new ATOM 0 HA SER A 96 45.598 12.663 -32.051 1.00 0.00 H new ATOM 0 HB2 SER A 96 43.469 14.484 -33.252 1.00 0.00 H new ATOM 0 HB3 SER A 96 45.168 14.869 -33.063 1.00 0.00 H new ATOM 0 HG SER A 96 44.668 14.122 -35.201 1.00 0.00 H new ATOM 1496 N GLY A 97 45.188 13.696 -29.853 1.00 0.00 N ATOM 1497 CA GLY A 97 44.967 14.301 -28.553 1.00 0.00 C ATOM 1498 C GLY A 97 46.060 13.956 -27.560 1.00 0.00 C ATOM 1499 O GLY A 97 46.835 13.026 -27.779 1.00 0.00 O ATOM 0 H GLY A 97 46.114 13.288 -29.984 1.00 0.00 H new ATOM 0 HA2 GLY A 97 44.910 15.384 -28.664 1.00 0.00 H new ATOM 0 HA3 GLY A 97 44.006 13.970 -28.160 1.00 0.00 H new TER 1503 GLY A 97