USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 673 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 95 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 98 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.3) USER MOD Set 2.1: A 90 THR OG1 : rot -169:sc= 0.122 USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 36 SER OG : rot 129:sc= 0.205 USER MOD Set 3.2: A 67 TYR OH : rot 30:sc= 0.203 USER MOD Set 4.1: A 37 THR OG1 : rot 180:sc= -0.0575 USER MOD Set 4.2: A 40 HIS : no HD1:sc= -0.572 K(o=-0.63,f=0.072) USER MOD Set 5.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 41 THR OG1 : rot -5:sc= 0.623 USER MOD Set 5.3: A 57 GLN : amide:sc= -2.79 K(o=-2.2,f=-1.3) USER MOD Set 5.4: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 PCA N :NH3+ -158:sc= 0.145 (180deg=0.0442) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 170:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 146:sc= 0.415 USER MOD Single : A 10 ASN : amide:sc= -0.287 K(o=-0.29,f=-1.9!) USER MOD Single : A 11 TYR OH : rot 0:sc= -0.288 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 21 ASN : amide:sc=-0.000603 X(o=-0.0006,f=-0.084) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.451 X(o=0.45,f=-0.00056) USER MOD Single : A 29 ASN : amide:sc=-0.00764 K(o=-0.0076,f=-1.7) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 64:sc= 0.856 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.262 K(o=0.26,f=-1.9) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 1:sc= 0.778 USER MOD Single : A 62 LYS NZ :NH3+ 138:sc= -0.016 (180deg=-0.476) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.49! C(o=-1.5!,f=-1.2!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 30:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.868 X(o=-0.87,f=-1.3) USER MOD Single : A 97 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.05) USER MOD Single : A 103 SER OG : rot 74:sc= 0.477 USER MOD Single : A 105 THR OG1 : rot 167:sc= 0.879 USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 3.561 11.247 -7.222 1.00 0.00 N HETATM 2 CA PCA A 1 3.832 11.819 -5.897 1.00 0.00 C HETATM 3 CB PCA A 1 2.550 11.661 -5.064 1.00 0.00 C HETATM 4 CG PCA A 1 1.699 10.602 -5.774 1.00 0.00 C HETATM 5 CD PCA A 1 2.264 10.565 -7.190 1.00 0.00 C HETATM 6 OE PCA A 1 1.738 9.958 -8.120 1.00 0.00 O HETATM 7 C PCA A 1 5.048 11.154 -5.252 1.00 0.00 C HETATM 8 O PCA A 1 4.925 10.112 -4.612 1.00 0.00 O HETATM 0 H2 PCA A 1 3.006 11.923 -7.785 1.00 0.00 H new HETATM 0 HA PCA A 1 4.087 12.877 -5.967 1.00 0.00 H new HETATM 0 HB2 PCA A 1 2.785 11.352 -4.046 1.00 0.00 H new HETATM 0 HB3 PCA A 1 2.013 12.607 -4.994 1.00 0.00 H new HETATM 0 HG2 PCA A 1 1.781 9.631 -5.286 1.00 0.00 H new HETATM 0 HG3 PCA A 1 0.643 10.872 -5.772 1.00 0.00 H new ATOM 15 N SER A 2 6.221 11.769 -5.444 1.00 0.00 N ATOM 16 CA SER A 2 7.496 11.311 -4.900 1.00 0.00 C ATOM 17 C SER A 2 8.380 12.527 -4.612 1.00 0.00 C ATOM 18 O SER A 2 9.519 12.588 -5.072 1.00 0.00 O ATOM 19 CB SER A 2 8.174 10.338 -5.875 1.00 0.00 C ATOM 20 OG SER A 2 7.390 9.180 -6.067 1.00 0.00 O ATOM 0 H SER A 2 6.307 12.621 -5.997 1.00 0.00 H new ATOM 0 HA SER A 2 7.330 10.771 -3.968 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.337 10.833 -6.832 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.154 10.057 -5.490 1.00 0.00 H new ATOM 0 HG SER A 2 7.844 8.578 -6.693 1.00 0.00 H new ATOM 26 N ALA A 3 7.833 13.486 -3.851 1.00 0.00 N ATOM 27 CA ALA A 3 8.446 14.747 -3.445 1.00 0.00 C ATOM 28 C ALA A 3 8.510 15.692 -4.635 1.00 0.00 C ATOM 29 O ALA A 3 8.803 15.258 -5.749 1.00 0.00 O ATOM 30 CB ALA A 3 9.817 14.559 -2.783 1.00 0.00 C ATOM 0 H ALA A 3 6.887 13.389 -3.481 1.00 0.00 H new ATOM 0 HA ALA A 3 7.815 15.193 -2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.222 15.531 -2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.709 13.941 -1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.495 14.071 -3.483 1.00 0.00 H new ATOM 36 N THR A 4 8.234 16.982 -4.409 1.00 0.00 N ATOM 37 CA THR A 4 8.252 17.947 -5.493 1.00 0.00 C ATOM 38 C THR A 4 8.720 19.317 -5.018 1.00 0.00 C ATOM 39 O THR A 4 8.166 19.892 -4.084 1.00 0.00 O ATOM 40 CB THR A 4 6.888 17.959 -6.209 1.00 0.00 C ATOM 41 OG1 THR A 4 7.041 18.534 -7.484 1.00 0.00 O ATOM 42 CG2 THR A 4 5.789 18.713 -5.452 1.00 0.00 C ATOM 0 H THR A 4 8.000 17.369 -3.495 1.00 0.00 H new ATOM 0 HA THR A 4 8.990 17.644 -6.235 1.00 0.00 H new ATOM 0 HB THR A 4 6.565 16.920 -6.270 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.221 18.400 -8.004 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.861 18.674 -6.023 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.635 18.250 -4.478 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.088 19.752 -5.316 1.00 0.00 H new ATOM 50 N THR A 5 9.766 19.831 -5.670 1.00 0.00 N ATOM 51 CA THR A 5 10.365 21.101 -5.420 1.00 0.00 C ATOM 52 C THR A 5 9.798 21.997 -6.519 1.00 0.00 C ATOM 53 O THR A 5 10.230 21.944 -7.670 1.00 0.00 O ATOM 54 CB THR A 5 11.883 20.873 -5.429 1.00 0.00 C ATOM 55 OG1 THR A 5 12.290 20.423 -4.154 1.00 0.00 O ATOM 56 CG2 THR A 5 12.639 22.134 -5.795 1.00 0.00 C ATOM 0 H THR A 5 10.228 19.326 -6.426 1.00 0.00 H new ATOM 0 HA THR A 5 10.155 21.581 -4.464 1.00 0.00 H new ATOM 0 HB THR A 5 12.112 20.122 -6.186 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.259 20.274 -4.154 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.710 21.931 -5.790 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.337 22.464 -6.789 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.415 22.916 -5.070 1.00 0.00 H new ATOM 64 N CYS A 6 8.801 22.802 -6.142 1.00 0.00 N ATOM 65 CA CYS A 6 8.127 23.742 -7.015 1.00 0.00 C ATOM 66 C CYS A 6 8.927 25.041 -7.027 1.00 0.00 C ATOM 67 O CYS A 6 8.539 26.036 -6.418 1.00 0.00 O ATOM 68 CB CYS A 6 6.678 23.924 -6.539 1.00 0.00 C ATOM 69 SG CYS A 6 5.515 22.604 -6.990 1.00 0.00 S ATOM 0 H CYS A 6 8.436 22.811 -5.190 1.00 0.00 H new ATOM 0 HA CYS A 6 8.075 23.378 -8.041 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.683 24.020 -5.453 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.301 24.865 -6.940 1.00 0.00 H new ATOM 74 N GLY A 7 10.060 25.006 -7.740 1.00 0.00 N ATOM 75 CA GLY A 7 10.978 26.120 -7.873 1.00 0.00 C ATOM 76 C GLY A 7 11.763 26.275 -6.575 1.00 0.00 C ATOM 77 O GLY A 7 12.734 25.553 -6.346 1.00 0.00 O ATOM 0 H GLY A 7 10.362 24.176 -8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.659 25.949 -8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.429 27.036 -8.093 1.00 0.00 H new ATOM 81 N SER A 8 11.326 27.212 -5.725 1.00 0.00 N ATOM 82 CA SER A 8 11.937 27.502 -4.436 1.00 0.00 C ATOM 83 C SER A 8 11.336 26.610 -3.347 1.00 0.00 C ATOM 84 O SER A 8 12.069 26.052 -2.531 1.00 0.00 O ATOM 85 CB SER A 8 11.725 28.980 -4.091 1.00 0.00 C ATOM 86 OG SER A 8 12.270 29.807 -5.099 1.00 0.00 O ATOM 0 H SER A 8 10.517 27.800 -5.926 1.00 0.00 H new ATOM 0 HA SER A 8 13.006 27.297 -4.493 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.660 29.185 -3.981 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.194 29.207 -3.133 1.00 0.00 H new ATOM 0 HG SER A 8 12.125 30.747 -4.865 1.00 0.00 H new ATOM 92 N THR A 9 10.004 26.475 -3.348 1.00 0.00 N ATOM 93 CA THR A 9 9.242 25.693 -2.384 1.00 0.00 C ATOM 94 C THR A 9 9.547 24.199 -2.472 1.00 0.00 C ATOM 95 O THR A 9 9.119 23.535 -3.412 1.00 0.00 O ATOM 96 CB THR A 9 7.733 25.957 -2.558 1.00 0.00 C ATOM 97 OG1 THR A 9 7.434 26.605 -3.778 1.00 0.00 O ATOM 98 CG2 THR A 9 7.219 26.794 -1.390 1.00 0.00 C ATOM 0 H THR A 9 9.413 26.925 -4.047 1.00 0.00 H new ATOM 0 HA THR A 9 9.548 26.016 -1.389 1.00 0.00 H new ATOM 0 HB THR A 9 7.234 24.988 -2.575 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.565 26.295 -4.109 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.152 26.979 -1.516 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.386 26.257 -0.456 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.751 27.745 -1.362 1.00 0.00 H new ATOM 106 N ASN A 10 10.278 23.682 -1.476 1.00 0.00 N ATOM 107 CA ASN A 10 10.660 22.282 -1.373 1.00 0.00 C ATOM 108 C ASN A 10 9.601 21.535 -0.564 1.00 0.00 C ATOM 109 O ASN A 10 9.561 21.664 0.658 1.00 0.00 O ATOM 110 CB ASN A 10 12.048 22.172 -0.722 1.00 0.00 C ATOM 111 CG ASN A 10 12.573 20.733 -0.695 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.945 19.843 -0.124 1.00 0.00 O ATOM 113 ND2 ASN A 10 13.739 20.498 -1.304 1.00 0.00 N ATOM 0 H ASN A 10 10.626 24.248 -0.702 1.00 0.00 H new ATOM 0 HA ASN A 10 10.719 21.831 -2.364 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.752 22.802 -1.267 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.999 22.556 0.297 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.134 19.557 -1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.234 21.259 -1.769 1.00 0.00 H new ATOM 120 N TYR A 11 8.742 20.766 -1.250 1.00 0.00 N ATOM 121 CA TYR A 11 7.696 19.974 -0.616 1.00 0.00 C ATOM 122 C TYR A 11 8.098 18.502 -0.550 1.00 0.00 C ATOM 123 O TYR A 11 8.806 17.991 -1.419 1.00 0.00 O ATOM 124 CB TYR A 11 6.370 20.052 -1.380 1.00 0.00 C ATOM 125 CG TYR A 11 5.793 21.421 -1.670 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.934 22.482 -0.754 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.094 21.625 -2.873 1.00 0.00 C ATOM 128 CE1 TYR A 11 5.375 23.736 -1.048 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.538 22.881 -3.165 1.00 0.00 C ATOM 130 CZ TYR A 11 4.679 23.937 -2.248 1.00 0.00 C ATOM 131 OH TYR A 11 4.137 25.159 -2.506 1.00 0.00 O ATOM 0 H TYR A 11 8.760 20.681 -2.266 1.00 0.00 H new ATOM 0 HA TYR A 11 7.566 20.389 0.384 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.503 19.538 -2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.626 19.490 -0.815 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.470 22.331 0.171 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.984 20.812 -3.575 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.482 24.550 -0.346 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.004 23.035 -4.091 1.00 0.00 H new ATOM 0 HH TYR A 11 4.326 25.765 -1.759 1.00 0.00 H new ATOM 141 N SER A 12 7.615 17.834 0.501 1.00 0.00 N ATOM 142 CA SER A 12 7.824 16.423 0.771 1.00 0.00 C ATOM 143 C SER A 12 6.814 15.618 -0.021 1.00 0.00 C ATOM 144 O SER A 12 5.770 16.137 -0.420 1.00 0.00 O ATOM 145 CB SER A 12 7.636 16.166 2.269 1.00 0.00 C ATOM 146 OG SER A 12 8.567 16.927 3.008 1.00 0.00 O ATOM 0 H SER A 12 7.044 18.288 1.213 1.00 0.00 H new ATOM 0 HA SER A 12 8.832 16.128 0.480 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.621 16.428 2.567 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.768 15.106 2.484 1.00 0.00 H new ATOM 0 HG SER A 12 8.440 16.759 3.965 1.00 0.00 H new ATOM 152 N ALA A 13 7.144 14.342 -0.259 1.00 0.00 N ATOM 153 CA ALA A 13 6.232 13.443 -0.942 1.00 0.00 C ATOM 154 C ALA A 13 4.989 13.317 -0.063 1.00 0.00 C ATOM 155 O ALA A 13 3.930 12.932 -0.548 1.00 0.00 O ATOM 156 CB ALA A 13 6.881 12.068 -1.133 1.00 0.00 C ATOM 0 H ALA A 13 8.032 13.920 0.013 1.00 0.00 H new ATOM 0 HA ALA A 13 5.977 13.829 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.185 11.405 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.788 12.173 -1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.133 11.646 -0.160 1.00 0.00 H new ATOM 162 N SER A 14 5.134 13.660 1.226 1.00 0.00 N ATOM 163 CA SER A 14 4.065 13.627 2.199 1.00 0.00 C ATOM 164 C SER A 14 3.091 14.771 1.909 1.00 0.00 C ATOM 165 O SER A 14 1.892 14.598 2.094 1.00 0.00 O ATOM 166 CB SER A 14 4.657 13.753 3.607 1.00 0.00 C ATOM 167 OG SER A 14 5.567 12.702 3.854 1.00 0.00 O ATOM 0 H SER A 14 6.023 13.973 1.616 1.00 0.00 H new ATOM 0 HA SER A 14 3.524 12.683 2.137 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.163 14.713 3.711 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.858 13.732 4.348 1.00 0.00 H new ATOM 0 HG SER A 14 5.938 12.796 4.756 1.00 0.00 H new ATOM 173 N GLN A 15 3.598 15.926 1.447 1.00 0.00 N ATOM 174 CA GLN A 15 2.795 17.103 1.142 1.00 0.00 C ATOM 175 C GLN A 15 1.969 16.937 -0.122 1.00 0.00 C ATOM 176 O GLN A 15 0.757 17.140 -0.084 1.00 0.00 O ATOM 177 CB GLN A 15 3.648 18.380 1.108 1.00 0.00 C ATOM 178 CG GLN A 15 3.676 19.078 2.470 1.00 0.00 C ATOM 179 CD GLN A 15 4.562 18.355 3.482 1.00 0.00 C ATOM 180 OE1 GLN A 15 5.732 18.698 3.636 1.00 0.00 O ATOM 181 NE2 GLN A 15 4.004 17.364 4.183 1.00 0.00 N ATOM 0 H GLN A 15 4.594 16.062 1.275 1.00 0.00 H new ATOM 0 HA GLN A 15 2.082 17.212 1.959 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.665 18.130 0.806 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.251 19.063 0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.034 20.100 2.343 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.661 19.143 2.862 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.029 17.112 4.023 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.553 16.859 4.879 1.00 0.00 H new ATOM 190 N VAL A 16 2.612 16.583 -1.236 1.00 0.00 N ATOM 191 CA VAL A 16 1.912 16.378 -2.495 1.00 0.00 C ATOM 192 C VAL A 16 0.872 15.266 -2.340 1.00 0.00 C ATOM 193 O VAL A 16 -0.242 15.396 -2.843 1.00 0.00 O ATOM 194 CB VAL A 16 2.880 16.172 -3.664 1.00 0.00 C ATOM 195 CG1 VAL A 16 4.061 15.262 -3.350 1.00 0.00 C ATOM 196 CG2 VAL A 16 2.165 15.713 -4.933 1.00 0.00 C ATOM 0 H VAL A 16 3.620 16.433 -1.287 1.00 0.00 H new ATOM 0 HA VAL A 16 1.366 17.286 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 16 3.301 17.161 -3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.695 15.171 -4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.639 15.687 -2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.695 14.276 -3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.893 15.581 -5.733 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.658 14.767 -4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.432 16.464 -5.230 1.00 0.00 H new ATOM 206 N ARG A 17 1.232 14.186 -1.633 1.00 0.00 N ATOM 207 CA ARG A 17 0.354 13.053 -1.389 1.00 0.00 C ATOM 208 C ARG A 17 -0.809 13.447 -0.477 1.00 0.00 C ATOM 209 O ARG A 17 -1.943 13.073 -0.762 1.00 0.00 O ATOM 210 CB ARG A 17 1.154 11.901 -0.777 1.00 0.00 C ATOM 211 CG ARG A 17 0.310 10.633 -0.603 1.00 0.00 C ATOM 212 CD ARG A 17 1.042 9.628 0.286 1.00 0.00 C ATOM 213 NE ARG A 17 1.084 10.101 1.676 1.00 0.00 N ATOM 214 CZ ARG A 17 1.437 9.355 2.734 1.00 0.00 C ATOM 215 NH1 ARG A 17 1.802 8.073 2.582 1.00 0.00 N ATOM 216 NH2 ARG A 17 1.417 9.902 3.958 1.00 0.00 N ATOM 0 H ARG A 17 2.155 14.082 -1.212 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.067 12.727 -2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.011 11.679 -1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.547 12.209 0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.653 10.887 -0.160 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.106 10.187 -1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.541 8.661 0.240 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.056 9.479 -0.084 1.00 0.00 H new ATOM 0 HE ARG A 17 0.825 11.072 1.851 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.814 7.653 1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.068 7.518 3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.136 10.875 4.077 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.683 9.345 4.770 1.00 0.00 H new ATOM 230 N ALA A 18 -0.547 14.187 0.611 1.00 0.00 N ATOM 231 CA ALA A 18 -1.586 14.600 1.551 1.00 0.00 C ATOM 232 C ALA A 18 -2.596 15.511 0.856 1.00 0.00 C ATOM 233 O ALA A 18 -3.803 15.301 0.963 1.00 0.00 O ATOM 234 CB ALA A 18 -0.969 15.294 2.769 1.00 0.00 C ATOM 0 H ALA A 18 0.388 14.512 0.858 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.111 13.712 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.760 15.594 3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.290 14.607 3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.417 16.176 2.444 1.00 0.00 H new ATOM 240 N ALA A 19 -2.086 16.514 0.136 1.00 0.00 N ATOM 241 CA ALA A 19 -2.885 17.472 -0.609 1.00 0.00 C ATOM 242 C ALA A 19 -3.681 16.784 -1.715 1.00 0.00 C ATOM 243 O ALA A 19 -4.777 17.236 -2.041 1.00 0.00 O ATOM 244 CB ALA A 19 -1.981 18.566 -1.170 1.00 0.00 C ATOM 0 H ALA A 19 -1.083 16.680 0.058 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.608 17.930 0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.582 19.284 -1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.475 19.076 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.239 18.121 -1.833 1.00 0.00 H new ATOM 250 N ALA A 20 -3.138 15.705 -2.297 1.00 0.00 N ATOM 251 CA ALA A 20 -3.821 14.959 -3.341 1.00 0.00 C ATOM 252 C ALA A 20 -4.896 14.066 -2.746 1.00 0.00 C ATOM 253 O ALA A 20 -5.951 13.899 -3.351 1.00 0.00 O ATOM 254 CB ALA A 20 -2.829 14.188 -4.215 1.00 0.00 C ATOM 0 H ALA A 20 -2.220 15.334 -2.053 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.323 15.667 -4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.372 13.641 -4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.138 14.888 -4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.269 13.485 -3.597 1.00 0.00 H new ATOM 260 N ASN A 21 -4.627 13.492 -1.570 1.00 0.00 N ATOM 261 CA ASN A 21 -5.581 12.663 -0.864 1.00 0.00 C ATOM 262 C ASN A 21 -6.715 13.574 -0.365 1.00 0.00 C ATOM 263 O ASN A 21 -7.818 13.106 -0.093 1.00 0.00 O ATOM 264 CB ASN A 21 -4.872 11.956 0.298 1.00 0.00 C ATOM 265 CG ASN A 21 -5.825 11.074 1.103 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.564 10.273 0.535 1.00 0.00 O ATOM 267 ND2 ASN A 21 -5.815 11.222 2.431 1.00 0.00 N ATOM 0 H ASN A 21 -3.735 13.596 -1.087 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.000 11.894 -1.513 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.057 11.346 -0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.425 12.701 0.956 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.436 10.659 3.012 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.186 11.898 2.864 1.00 0.00 H new ATOM 274 N ALA A 22 -6.455 14.889 -0.267 1.00 0.00 N ATOM 275 CA ALA A 22 -7.438 15.842 0.220 1.00 0.00 C ATOM 276 C ALA A 22 -8.327 16.180 -0.963 1.00 0.00 C ATOM 277 O ALA A 22 -9.546 16.072 -0.871 1.00 0.00 O ATOM 278 CB ALA A 22 -6.739 17.073 0.775 1.00 0.00 C ATOM 0 H ALA A 22 -5.561 15.308 -0.524 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.036 15.433 1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.484 17.782 1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.086 16.781 1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.146 17.540 -0.011 1.00 0.00 H new ATOM 284 N ALA A 23 -7.694 16.599 -2.067 1.00 0.00 N ATOM 285 CA ALA A 23 -8.352 16.919 -3.323 1.00 0.00 C ATOM 286 C ALA A 23 -9.253 15.751 -3.732 1.00 0.00 C ATOM 287 O ALA A 23 -10.362 15.971 -4.208 1.00 0.00 O ATOM 288 CB ALA A 23 -7.289 17.197 -4.386 1.00 0.00 C ATOM 0 H ALA A 23 -6.683 16.725 -2.103 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.973 17.808 -3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.774 17.438 -5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.671 18.038 -4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.663 16.314 -4.514 1.00 0.00 H new ATOM 294 N CYS A 24 -8.770 14.517 -3.533 1.00 0.00 N ATOM 295 CA CYS A 24 -9.480 13.279 -3.816 1.00 0.00 C ATOM 296 C CYS A 24 -10.781 13.248 -3.019 1.00 0.00 C ATOM 297 O CYS A 24 -11.851 13.075 -3.590 1.00 0.00 O ATOM 298 CB CYS A 24 -8.634 12.081 -3.349 1.00 0.00 C ATOM 299 SG CYS A 24 -7.590 11.245 -4.562 1.00 0.00 S ATOM 0 H CYS A 24 -7.836 14.356 -3.155 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.674 13.224 -4.887 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.992 12.424 -2.538 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -9.312 11.339 -2.927 1.00 0.00 H new ATOM 304 N GLN A 25 -10.685 13.434 -1.698 1.00 0.00 N ATOM 305 CA GLN A 25 -11.832 13.373 -0.813 1.00 0.00 C ATOM 306 C GLN A 25 -12.861 14.465 -1.103 1.00 0.00 C ATOM 307 O GLN A 25 -14.043 14.165 -1.246 1.00 0.00 O ATOM 308 CB GLN A 25 -11.340 13.417 0.642 1.00 0.00 C ATOM 309 CG GLN A 25 -10.570 12.150 1.049 1.00 0.00 C ATOM 310 CD GLN A 25 -11.473 10.944 1.298 1.00 0.00 C ATOM 311 OE1 GLN A 25 -12.019 10.791 2.388 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.625 10.079 0.291 1.00 0.00 N ATOM 0 H GLN A 25 -9.805 13.631 -1.221 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.356 12.433 -0.989 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.697 14.287 0.777 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.195 13.546 1.306 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.853 11.902 0.266 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.996 12.357 1.952 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.154 10.244 -0.598 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.213 9.254 0.412 1.00 0.00 H new ATOM 321 N TYR A 26 -12.421 15.722 -1.212 1.00 0.00 N ATOM 322 CA TYR A 26 -13.337 16.838 -1.433 1.00 0.00 C ATOM 323 C TYR A 26 -13.957 16.863 -2.830 1.00 0.00 C ATOM 324 O TYR A 26 -15.168 17.045 -2.947 1.00 0.00 O ATOM 325 CB TYR A 26 -12.680 18.196 -1.159 1.00 0.00 C ATOM 326 CG TYR A 26 -12.153 18.444 0.242 1.00 0.00 C ATOM 327 CD1 TYR A 26 -13.047 18.517 1.325 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.776 18.615 0.468 1.00 0.00 C ATOM 329 CE1 TYR A 26 -12.573 18.761 2.623 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.299 18.862 1.768 1.00 0.00 C ATOM 331 CZ TYR A 26 -11.197 18.935 2.846 1.00 0.00 C ATOM 332 OH TYR A 26 -10.737 19.185 4.108 1.00 0.00 O ATOM 0 H TYR A 26 -11.438 15.989 -1.151 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.138 16.668 -0.714 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.852 18.317 -1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.407 18.975 -1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -14.106 18.384 1.157 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.083 18.557 -0.358 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.266 18.815 3.450 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.241 18.996 1.938 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.762 19.278 4.088 1.00 0.00 H new ATOM 342 N TYR A 27 -13.149 16.672 -3.883 1.00 0.00 N ATOM 343 CA TYR A 27 -13.646 16.723 -5.255 1.00 0.00 C ATOM 344 C TYR A 27 -14.542 15.523 -5.600 1.00 0.00 C ATOM 345 O TYR A 27 -15.319 15.618 -6.551 1.00 0.00 O ATOM 346 CB TYR A 27 -12.519 16.951 -6.294 1.00 0.00 C ATOM 347 CG TYR A 27 -13.075 17.093 -7.706 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.885 18.198 -8.064 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.795 16.097 -8.667 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.423 18.275 -9.362 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.327 16.191 -9.962 1.00 0.00 C ATOM 352 CZ TYR A 27 -14.154 17.271 -10.307 1.00 0.00 C ATOM 353 OH TYR A 27 -14.684 17.353 -11.563 1.00 0.00 O ATOM 0 H TYR A 27 -12.150 16.481 -3.805 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.285 17.604 -5.314 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.958 17.848 -6.032 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.819 16.116 -6.261 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.089 18.977 -7.345 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.168 15.258 -8.404 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.048 19.113 -9.634 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.100 15.431 -10.695 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.398 16.578 -12.090 1.00 0.00 H new ATOM 363 N GLN A 28 -14.474 14.409 -4.852 1.00 0.00 N ATOM 364 CA GLN A 28 -15.287 13.238 -5.145 1.00 0.00 C ATOM 365 C GLN A 28 -16.615 13.319 -4.400 1.00 0.00 C ATOM 366 O GLN A 28 -17.625 13.662 -5.010 1.00 0.00 O ATOM 367 CB GLN A 28 -14.533 11.943 -4.818 1.00 0.00 C ATOM 368 CG GLN A 28 -13.411 11.682 -5.832 1.00 0.00 C ATOM 369 CD GLN A 28 -12.689 10.371 -5.528 1.00 0.00 C ATOM 370 OE1 GLN A 28 -12.696 9.452 -6.345 1.00 0.00 O ATOM 371 NE2 GLN A 28 -12.070 10.274 -4.348 1.00 0.00 N ATOM 0 H GLN A 28 -13.862 14.304 -4.043 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.499 13.222 -6.214 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.112 12.008 -3.815 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.229 11.104 -4.818 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.827 11.646 -6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.698 12.507 -5.811 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.087 11.059 -3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.580 9.415 -4.098 1.00 0.00 H new ATOM 380 N ASN A 29 -16.598 13.017 -3.093 1.00 0.00 N ATOM 381 CA ASN A 29 -17.773 13.001 -2.216 1.00 0.00 C ATOM 382 C ASN A 29 -17.425 12.483 -0.814 1.00 0.00 C ATOM 383 O ASN A 29 -18.020 11.523 -0.328 1.00 0.00 O ATOM 384 CB ASN A 29 -18.943 12.198 -2.827 1.00 0.00 C ATOM 385 CG ASN A 29 -18.560 10.797 -3.312 1.00 0.00 C ATOM 386 OD1 ASN A 29 -17.530 10.248 -2.926 1.00 0.00 O ATOM 387 ND2 ASN A 29 -19.401 10.212 -4.170 1.00 0.00 N ATOM 0 H ASN A 29 -15.738 12.770 -2.604 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.104 14.035 -2.118 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.735 12.108 -2.083 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.355 12.760 -3.665 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -19.198 9.278 -4.527 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -20.246 10.699 -4.468 1.00 0.00 H new ATOM 394 N ASP A 30 -16.456 13.131 -0.163 1.00 0.00 N ATOM 395 CA ASP A 30 -15.988 12.823 1.178 1.00 0.00 C ATOM 396 C ASP A 30 -15.617 14.181 1.762 1.00 0.00 C ATOM 397 O ASP A 30 -14.498 14.652 1.579 1.00 0.00 O ATOM 398 CB ASP A 30 -14.799 11.855 1.147 1.00 0.00 C ATOM 399 CG ASP A 30 -15.140 10.530 0.472 1.00 0.00 C ATOM 400 OD1 ASP A 30 -15.723 9.670 1.168 1.00 0.00 O ATOM 401 OD2 ASP A 30 -14.817 10.403 -0.731 1.00 0.00 O ATOM 0 H ASP A 30 -15.959 13.918 -0.580 1.00 0.00 H new ATOM 0 HA ASP A 30 -16.739 12.314 1.782 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.967 12.323 0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.464 11.664 2.166 1.00 0.00 H new ATOM 406 N ASP A 31 -16.587 14.791 2.451 1.00 0.00 N ATOM 407 CA ASP A 31 -16.533 16.105 3.078 1.00 0.00 C ATOM 408 C ASP A 31 -16.920 17.101 1.990 1.00 0.00 C ATOM 409 O ASP A 31 -16.237 17.208 0.974 1.00 0.00 O ATOM 410 CB ASP A 31 -15.193 16.450 3.755 1.00 0.00 C ATOM 411 CG ASP A 31 -14.804 15.440 4.831 1.00 0.00 C ATOM 412 OD1 ASP A 31 -15.304 15.599 5.966 1.00 0.00 O ATOM 413 OD2 ASP A 31 -14.010 14.529 4.505 1.00 0.00 O ATOM 0 H ASP A 31 -17.492 14.343 2.592 1.00 0.00 H new ATOM 0 HA ASP A 31 -17.225 16.135 3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.408 16.492 3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.260 17.443 4.200 1.00 0.00 H new ATOM 418 N THR A 32 -18.029 17.815 2.205 1.00 0.00 N ATOM 419 CA THR A 32 -18.561 18.792 1.271 1.00 0.00 C ATOM 420 C THR A 32 -18.007 20.180 1.597 1.00 0.00 C ATOM 421 O THR A 32 -18.625 20.963 2.316 1.00 0.00 O ATOM 422 CB THR A 32 -20.095 18.701 1.198 1.00 0.00 C ATOM 423 OG1 THR A 32 -20.624 19.806 0.493 1.00 0.00 O ATOM 424 CG2 THR A 32 -20.750 18.591 2.574 1.00 0.00 C ATOM 0 H THR A 32 -18.588 17.722 3.053 1.00 0.00 H new ATOM 0 HA THR A 32 -18.224 18.572 0.258 1.00 0.00 H new ATOM 0 HB THR A 32 -20.327 17.781 0.661 1.00 0.00 H new ATOM 0 HG1 THR A 32 -21.600 19.732 0.454 1.00 0.00 H new ATOM 0 HG21 THR A 32 -21.832 18.530 2.458 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.388 17.695 3.079 1.00 0.00 H new ATOM 0 HG23 THR A 32 -20.498 19.469 3.168 1.00 0.00 H new ATOM 432 N ALA A 33 -16.814 20.458 1.056 1.00 0.00 N ATOM 433 CA ALA A 33 -16.094 21.716 1.208 1.00 0.00 C ATOM 434 C ALA A 33 -16.934 22.930 0.806 1.00 0.00 C ATOM 435 O ALA A 33 -17.801 22.835 -0.063 1.00 0.00 O ATOM 436 CB ALA A 33 -14.837 21.681 0.334 1.00 0.00 C ATOM 0 H ALA A 33 -16.310 19.784 0.480 1.00 0.00 H new ATOM 0 HA ALA A 33 -15.844 21.820 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -14.292 22.619 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -14.200 20.853 0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -15.123 21.546 -0.709 1.00 0.00 H new ATOM 442 N GLY A 34 -16.657 24.075 1.447 1.00 0.00 N ATOM 443 CA GLY A 34 -17.324 25.341 1.185 1.00 0.00 C ATOM 444 C GLY A 34 -17.015 25.810 -0.238 1.00 0.00 C ATOM 445 O GLY A 34 -17.889 26.358 -0.907 1.00 0.00 O ATOM 0 H GLY A 34 -15.946 24.139 2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -18.400 25.228 1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -16.994 26.091 1.904 1.00 0.00 H new ATOM 449 N SER A 35 -15.765 25.591 -0.677 1.00 0.00 N ATOM 450 CA SER A 35 -15.235 25.915 -1.991 1.00 0.00 C ATOM 451 C SER A 35 -15.182 27.416 -2.266 1.00 0.00 C ATOM 452 O SER A 35 -16.185 28.005 -2.668 1.00 0.00 O ATOM 453 CB SER A 35 -16.008 25.167 -3.090 1.00 0.00 C ATOM 454 OG SER A 35 -15.473 25.465 -4.364 1.00 0.00 O ATOM 0 H SER A 35 -15.062 25.156 -0.079 1.00 0.00 H new ATOM 0 HA SER A 35 -14.200 25.575 -2.003 1.00 0.00 H new ATOM 0 HB2 SER A 35 -15.958 24.093 -2.911 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.061 25.447 -3.057 1.00 0.00 H new ATOM 0 HG SER A 35 -14.552 25.133 -4.418 1.00 0.00 H new ATOM 460 N SER A 36 -14.010 28.033 -2.058 1.00 0.00 N ATOM 461 CA SER A 36 -13.818 29.451 -2.328 1.00 0.00 C ATOM 462 C SER A 36 -13.885 29.575 -3.849 1.00 0.00 C ATOM 463 O SER A 36 -14.693 30.336 -4.380 1.00 0.00 O ATOM 464 CB SER A 36 -12.481 29.933 -1.760 1.00 0.00 C ATOM 465 OG SER A 36 -12.516 29.892 -0.349 1.00 0.00 O ATOM 0 H SER A 36 -13.179 27.561 -1.701 1.00 0.00 H new ATOM 0 HA SER A 36 -14.574 30.076 -1.852 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.671 29.305 -2.131 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.277 30.949 -2.098 1.00 0.00 H new ATOM 0 HG SER A 36 -11.734 29.404 -0.016 1.00 0.00 H new ATOM 471 N THR A 37 -13.025 28.805 -4.532 1.00 0.00 N ATOM 472 CA THR A 37 -12.943 28.723 -5.984 1.00 0.00 C ATOM 473 C THR A 37 -12.236 27.426 -6.439 1.00 0.00 C ATOM 474 O THR A 37 -11.819 27.326 -7.586 1.00 0.00 O ATOM 475 CB THR A 37 -12.348 30.022 -6.563 1.00 0.00 C ATOM 476 OG1 THR A 37 -12.620 30.093 -7.945 1.00 0.00 O ATOM 477 CG2 THR A 37 -10.844 30.174 -6.324 1.00 0.00 C ATOM 0 H THR A 37 -12.346 28.204 -4.065 1.00 0.00 H new ATOM 0 HA THR A 37 -13.947 28.647 -6.401 1.00 0.00 H new ATOM 0 HB THR A 37 -12.827 30.844 -6.031 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.242 30.920 -8.311 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.499 31.112 -6.760 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.644 30.177 -5.252 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.316 29.342 -6.789 1.00 0.00 H new ATOM 485 N TYR A 38 -12.109 26.421 -5.559 1.00 0.00 N ATOM 486 CA TYR A 38 -11.456 25.135 -5.808 1.00 0.00 C ATOM 487 C TYR A 38 -12.264 24.075 -5.097 1.00 0.00 C ATOM 488 O TYR A 38 -12.872 24.343 -4.061 1.00 0.00 O ATOM 489 CB TYR A 38 -10.032 25.121 -5.209 1.00 0.00 C ATOM 490 CG TYR A 38 -9.033 26.170 -5.667 1.00 0.00 C ATOM 491 CD1 TYR A 38 -9.081 27.468 -5.127 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.039 25.852 -6.615 1.00 0.00 C ATOM 493 CE1 TYR A 38 -8.147 28.439 -5.529 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.111 26.823 -7.023 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.165 28.121 -6.485 1.00 0.00 C ATOM 496 OH TYR A 38 -6.262 29.063 -6.887 1.00 0.00 O ATOM 0 H TYR A 38 -12.478 26.490 -4.611 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.394 24.960 -6.882 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.129 25.208 -4.127 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.598 24.142 -5.412 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.839 27.720 -4.400 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.991 24.856 -7.030 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.183 29.431 -5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.354 26.573 -7.752 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.656 28.673 -7.551 1.00 0.00 H new ATOM 506 N PRO A 39 -12.267 22.856 -5.642 1.00 0.00 N ATOM 507 CA PRO A 39 -11.561 22.406 -6.851 1.00 0.00 C ATOM 508 C PRO A 39 -12.157 22.908 -8.199 1.00 0.00 C ATOM 509 O PRO A 39 -13.329 22.680 -8.492 1.00 0.00 O ATOM 510 CB PRO A 39 -11.577 20.889 -6.683 1.00 0.00 C ATOM 511 CG PRO A 39 -12.939 20.670 -6.028 1.00 0.00 C ATOM 512 CD PRO A 39 -13.004 21.784 -5.016 1.00 0.00 C ATOM 0 HA PRO A 39 -10.558 22.826 -6.927 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.493 20.370 -7.638 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.758 20.537 -6.055 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.751 20.733 -6.752 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.008 19.690 -5.556 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.033 22.075 -4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.555 21.490 -4.067 1.00 0.00 H new ATOM 520 N HIS A 40 -11.328 23.604 -9.010 1.00 0.00 N ATOM 521 CA HIS A 40 -11.653 24.211 -10.310 1.00 0.00 C ATOM 522 C HIS A 40 -11.596 23.247 -11.488 1.00 0.00 C ATOM 523 O HIS A 40 -10.672 22.446 -11.575 1.00 0.00 O ATOM 524 CB HIS A 40 -10.538 25.188 -10.751 1.00 0.00 C ATOM 525 CG HIS A 40 -10.514 26.625 -10.331 1.00 0.00 C ATOM 526 ND1 HIS A 40 -11.460 27.551 -10.739 1.00 0.00 N ATOM 527 CD2 HIS A 40 -9.636 27.319 -9.539 1.00 0.00 C ATOM 528 CE1 HIS A 40 -11.116 28.729 -10.193 1.00 0.00 C ATOM 529 NE2 HIS A 40 -10.010 28.655 -9.446 1.00 0.00 N ATOM 0 H HIS A 40 -10.354 23.764 -8.753 1.00 0.00 H new ATOM 0 HA HIS A 40 -12.644 24.630 -10.133 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.594 24.752 -10.424 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.531 25.182 -11.841 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -8.773 26.887 -9.054 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.675 29.641 -10.342 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -9.548 29.403 -8.929 1.00 0.00 H new ATOM 537 N THR A 41 -12.566 23.339 -12.405 1.00 0.00 N ATOM 538 CA THR A 41 -12.605 22.559 -13.615 1.00 0.00 C ATOM 539 C THR A 41 -11.467 23.157 -14.441 1.00 0.00 C ATOM 540 O THR A 41 -11.382 24.384 -14.516 1.00 0.00 O ATOM 541 CB THR A 41 -13.988 22.806 -14.225 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.985 22.222 -13.411 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.068 22.234 -15.624 1.00 0.00 C ATOM 0 H THR A 41 -13.356 23.977 -12.310 1.00 0.00 H new ATOM 0 HA THR A 41 -12.476 21.481 -13.518 1.00 0.00 H new ATOM 0 HB THR A 41 -14.152 23.882 -14.281 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.561 21.725 -12.681 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.059 22.421 -16.037 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.316 22.709 -16.255 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.886 21.160 -15.589 1.00 0.00 H new ATOM 551 N TYR A 42 -10.591 22.334 -15.044 1.00 0.00 N ATOM 552 CA TYR A 42 -9.471 22.878 -15.813 1.00 0.00 C ATOM 553 C TYR A 42 -9.873 23.350 -17.223 1.00 0.00 C ATOM 554 O TYR A 42 -9.397 22.828 -18.230 1.00 0.00 O ATOM 555 CB TYR A 42 -8.277 21.905 -15.794 1.00 0.00 C ATOM 556 CG TYR A 42 -6.891 22.544 -15.785 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.664 23.849 -16.272 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.805 21.813 -15.265 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.374 24.409 -16.233 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.519 22.373 -15.223 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.300 23.671 -15.711 1.00 0.00 C ATOM 562 OH TYR A 42 -3.050 24.218 -15.666 1.00 0.00 O ATOM 0 H TYR A 42 -10.638 21.316 -15.013 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.142 23.792 -15.318 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.367 21.268 -14.914 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.350 21.255 -16.666 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.486 24.421 -16.677 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.964 20.811 -14.895 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.210 25.409 -16.606 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.696 21.805 -14.815 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.425 23.573 -15.275 1.00 0.00 H new ATOM 572 N ASN A 43 -10.753 24.363 -17.243 1.00 0.00 N ATOM 573 CA ASN A 43 -11.341 25.094 -18.359 1.00 0.00 C ATOM 574 C ASN A 43 -11.524 24.274 -19.645 1.00 0.00 C ATOM 575 O ASN A 43 -11.951 23.122 -19.593 1.00 0.00 O ATOM 576 CB ASN A 43 -10.529 26.387 -18.558 1.00 0.00 C ATOM 577 CG ASN A 43 -10.325 27.143 -17.246 1.00 0.00 C ATOM 578 OD1 ASN A 43 -9.270 27.036 -16.621 1.00 0.00 O ATOM 579 ND2 ASN A 43 -11.334 27.912 -16.828 1.00 0.00 N ATOM 0 H ASN A 43 -11.109 24.729 -16.360 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.371 25.342 -18.104 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.559 26.143 -18.990 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.043 27.031 -19.272 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.247 28.440 -15.959 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.191 27.972 -17.377 1.00 0.00 H new ATOM 586 N ASN A 44 -11.208 24.891 -20.791 1.00 0.00 N ATOM 587 CA ASN A 44 -11.278 24.331 -22.131 1.00 0.00 C ATOM 588 C ASN A 44 -9.848 24.181 -22.647 1.00 0.00 C ATOM 589 O ASN A 44 -9.010 25.049 -22.408 1.00 0.00 O ATOM 590 CB ASN A 44 -12.137 25.231 -23.034 1.00 0.00 C ATOM 591 CG ASN A 44 -11.692 26.696 -23.043 1.00 0.00 C ATOM 592 OD1 ASN A 44 -11.757 27.374 -22.019 1.00 0.00 O ATOM 593 ND2 ASN A 44 -11.252 27.197 -24.199 1.00 0.00 N ATOM 0 H ASN A 44 -10.876 25.856 -20.798 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.756 23.351 -22.127 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.106 24.845 -24.053 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -13.175 25.177 -22.704 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.956 28.172 -24.253 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.212 26.605 -25.029 1.00 0.00 H new ATOM 600 N TYR A 45 -9.583 23.071 -23.346 1.00 0.00 N ATOM 601 CA TYR A 45 -8.283 22.712 -23.908 1.00 0.00 C ATOM 602 C TYR A 45 -7.320 22.306 -22.785 1.00 0.00 C ATOM 603 O TYR A 45 -7.679 22.324 -21.608 1.00 0.00 O ATOM 604 CB TYR A 45 -7.671 23.835 -24.768 1.00 0.00 C ATOM 605 CG TYR A 45 -8.595 24.630 -25.678 1.00 0.00 C ATOM 606 CD1 TYR A 45 -9.663 24.014 -26.357 1.00 0.00 C ATOM 607 CD2 TYR A 45 -8.363 26.009 -25.851 1.00 0.00 C ATOM 608 CE1 TYR A 45 -10.494 24.774 -27.200 1.00 0.00 C ATOM 609 CE2 TYR A 45 -9.190 26.766 -26.698 1.00 0.00 C ATOM 610 CZ TYR A 45 -10.253 26.148 -27.378 1.00 0.00 C ATOM 611 OH TYR A 45 -11.050 26.884 -28.206 1.00 0.00 O ATOM 0 H TYR A 45 -10.300 22.372 -23.541 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.444 21.865 -24.575 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.180 24.539 -24.096 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.893 23.392 -25.389 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.845 22.957 -26.231 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.546 26.486 -25.330 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.319 24.301 -27.712 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.009 27.823 -26.826 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.744 27.815 -28.212 1.00 0.00 H new ATOM 621 N GLU A 46 -6.088 21.939 -23.154 1.00 0.00 N ATOM 622 CA GLU A 46 -5.055 21.547 -22.211 1.00 0.00 C ATOM 623 C GLU A 46 -4.359 22.810 -21.705 1.00 0.00 C ATOM 624 O GLU A 46 -3.478 23.345 -22.377 1.00 0.00 O ATOM 625 CB GLU A 46 -4.064 20.580 -22.877 1.00 0.00 C ATOM 626 CG GLU A 46 -4.739 19.302 -23.397 1.00 0.00 C ATOM 627 CD GLU A 46 -5.443 18.527 -22.287 1.00 0.00 C ATOM 628 OE1 GLU A 46 -4.737 17.769 -21.589 1.00 0.00 O ATOM 629 OE2 GLU A 46 -6.674 18.705 -22.152 1.00 0.00 O ATOM 0 H GLU A 46 -5.785 21.908 -24.127 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.494 21.020 -21.364 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.569 21.087 -23.705 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.289 20.310 -22.160 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.462 19.564 -24.169 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.990 18.663 -23.865 1.00 0.00 H new ATOM 636 N GLY A 47 -4.770 23.285 -20.520 1.00 0.00 N ATOM 637 CA GLY A 47 -4.214 24.466 -19.875 1.00 0.00 C ATOM 638 C GLY A 47 -2.698 24.355 -19.702 1.00 0.00 C ATOM 639 O GLY A 47 -1.982 25.329 -19.938 1.00 0.00 O ATOM 0 H GLY A 47 -5.514 22.844 -19.979 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.449 25.349 -20.469 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.682 24.603 -18.900 1.00 0.00 H new ATOM 643 N PHE A 48 -2.219 23.173 -19.292 1.00 0.00 N ATOM 644 CA PHE A 48 -0.804 22.887 -19.100 1.00 0.00 C ATOM 645 C PHE A 48 -0.521 21.430 -19.483 1.00 0.00 C ATOM 646 O PHE A 48 -1.442 20.620 -19.586 1.00 0.00 O ATOM 647 CB PHE A 48 -0.381 23.238 -17.667 1.00 0.00 C ATOM 648 CG PHE A 48 1.121 23.292 -17.479 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.835 24.432 -17.892 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.807 22.207 -16.904 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.231 24.484 -17.736 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.202 22.258 -16.751 1.00 0.00 C ATOM 653 CZ PHE A 48 3.915 23.393 -17.174 1.00 0.00 C ATOM 0 H PHE A 48 -2.822 22.378 -19.082 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.197 23.511 -19.756 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.808 24.203 -17.396 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.799 22.501 -16.982 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.310 25.268 -18.329 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.260 21.334 -16.580 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.777 25.362 -18.048 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.727 21.425 -16.308 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.989 23.426 -17.067 1.00 0.00 H new ATOM 663 N ASP A 49 0.758 21.102 -19.708 1.00 0.00 N ATOM 664 CA ASP A 49 1.219 19.778 -20.103 1.00 0.00 C ATOM 665 C ASP A 49 1.243 18.791 -18.935 1.00 0.00 C ATOM 666 O ASP A 49 1.751 19.109 -17.862 1.00 0.00 O ATOM 667 CB ASP A 49 2.623 19.890 -20.710 1.00 0.00 C ATOM 668 CG ASP A 49 2.633 20.779 -21.950 1.00 0.00 C ATOM 669 OD1 ASP A 49 2.372 20.234 -23.044 1.00 0.00 O ATOM 670 OD2 ASP A 49 2.892 21.990 -21.781 1.00 0.00 O ATOM 0 H ASP A 49 1.518 21.776 -19.616 1.00 0.00 H new ATOM 0 HA ASP A 49 0.513 19.391 -20.837 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.310 20.295 -19.967 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.987 18.896 -20.972 1.00 0.00 H new ATOM 675 N PHE A 50 0.698 17.589 -19.166 1.00 0.00 N ATOM 676 CA PHE A 50 0.635 16.491 -18.208 1.00 0.00 C ATOM 677 C PHE A 50 0.684 15.170 -18.983 1.00 0.00 C ATOM 678 O PHE A 50 0.294 15.152 -20.150 1.00 0.00 O ATOM 679 CB PHE A 50 -0.664 16.549 -17.398 1.00 0.00 C ATOM 680 CG PHE A 50 -0.879 17.825 -16.616 1.00 0.00 C ATOM 681 CD1 PHE A 50 -0.162 18.052 -15.426 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.787 18.794 -17.082 1.00 0.00 C ATOM 683 CE1 PHE A 50 -0.360 19.238 -14.702 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.977 19.983 -16.361 1.00 0.00 C ATOM 685 CZ PHE A 50 -1.267 20.203 -15.169 1.00 0.00 C ATOM 0 H PHE A 50 0.274 17.352 -20.063 1.00 0.00 H new ATOM 0 HA PHE A 50 1.476 16.569 -17.518 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.504 16.413 -18.079 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.678 15.709 -16.703 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.541 17.313 -15.070 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.338 18.623 -17.995 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.185 19.408 -13.786 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.669 20.729 -16.723 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.419 21.115 -14.611 1.00 0.00 H new ATOM 695 N PRO A 51 1.159 14.062 -18.379 1.00 0.00 N ATOM 696 CA PRO A 51 1.211 12.758 -19.035 1.00 0.00 C ATOM 697 C PRO A 51 -0.170 12.334 -19.543 1.00 0.00 C ATOM 698 O PRO A 51 -0.313 11.908 -20.688 1.00 0.00 O ATOM 699 CB PRO A 51 1.754 11.781 -17.986 1.00 0.00 C ATOM 700 CG PRO A 51 2.545 12.688 -17.047 1.00 0.00 C ATOM 701 CD PRO A 51 1.703 13.961 -17.034 1.00 0.00 C ATOM 0 HA PRO A 51 1.852 12.782 -19.916 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.950 11.262 -17.464 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.387 11.016 -18.436 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.643 12.255 -16.051 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.554 12.872 -17.415 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.909 13.902 -16.290 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.308 14.833 -16.786 1.00 0.00 H new ATOM 709 N VAL A 52 -1.179 12.463 -18.675 1.00 0.00 N ATOM 710 CA VAL A 52 -2.574 12.144 -18.945 1.00 0.00 C ATOM 711 C VAL A 52 -3.233 13.302 -19.702 1.00 0.00 C ATOM 712 O VAL A 52 -2.668 14.392 -19.791 1.00 0.00 O ATOM 713 CB VAL A 52 -3.299 11.847 -17.621 1.00 0.00 C ATOM 714 CG1 VAL A 52 -2.621 10.705 -16.854 1.00 0.00 C ATOM 715 CG2 VAL A 52 -3.385 13.102 -16.744 1.00 0.00 C ATOM 0 H VAL A 52 -1.033 12.808 -17.726 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.638 11.255 -19.573 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.312 11.532 -17.871 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.159 10.522 -15.924 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.631 9.801 -17.463 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.590 10.979 -16.629 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.902 12.862 -15.815 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.380 13.458 -16.518 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.934 13.880 -17.275 1.00 0.00 H new ATOM 725 N ASP A 53 -4.437 13.064 -20.239 1.00 0.00 N ATOM 726 CA ASP A 53 -5.211 14.037 -21.006 1.00 0.00 C ATOM 727 C ASP A 53 -6.287 14.726 -20.159 1.00 0.00 C ATOM 728 O ASP A 53 -6.802 15.764 -20.572 1.00 0.00 O ATOM 729 CB ASP A 53 -5.839 13.345 -22.221 1.00 0.00 C ATOM 730 CG ASP A 53 -4.775 12.753 -23.143 1.00 0.00 C ATOM 731 OD1 ASP A 53 -4.161 13.547 -23.888 1.00 0.00 O ATOM 732 OD2 ASP A 53 -4.590 11.518 -23.082 1.00 0.00 O ATOM 0 H ASP A 53 -4.908 12.164 -20.147 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.530 14.820 -21.340 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.510 12.555 -21.884 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.444 14.062 -22.776 1.00 0.00 H new ATOM 737 N GLY A 54 -6.635 14.165 -18.991 1.00 0.00 N ATOM 738 CA GLY A 54 -7.649 14.713 -18.101 1.00 0.00 C ATOM 739 C GLY A 54 -9.010 14.051 -18.336 1.00 0.00 C ATOM 740 O GLY A 54 -9.061 12.959 -18.904 1.00 0.00 O ATOM 0 H GLY A 54 -6.210 13.307 -18.641 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.345 14.566 -17.065 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.733 15.788 -18.259 1.00 0.00 H new ATOM 744 N PRO A 55 -10.121 14.689 -17.923 1.00 0.00 N ATOM 745 CA PRO A 55 -10.190 15.995 -17.277 1.00 0.00 C ATOM 746 C PRO A 55 -9.527 16.000 -15.900 1.00 0.00 C ATOM 747 O PRO A 55 -9.332 14.950 -15.284 1.00 0.00 O ATOM 748 CB PRO A 55 -11.682 16.332 -17.180 1.00 0.00 C ATOM 749 CG PRO A 55 -12.355 14.961 -17.170 1.00 0.00 C ATOM 750 CD PRO A 55 -11.455 14.139 -18.089 1.00 0.00 C ATOM 0 HA PRO A 55 -9.644 16.740 -17.855 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.908 16.897 -16.276 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.013 16.936 -18.025 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.401 14.540 -16.166 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.378 15.009 -17.543 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -11.480 13.083 -17.820 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.783 14.212 -19.126 1.00 0.00 H new ATOM 758 N TYR A 56 -9.195 17.207 -15.430 1.00 0.00 N ATOM 759 CA TYR A 56 -8.534 17.447 -14.161 1.00 0.00 C ATOM 760 C TYR A 56 -9.258 18.506 -13.349 1.00 0.00 C ATOM 761 O TYR A 56 -10.020 19.317 -13.888 1.00 0.00 O ATOM 762 CB TYR A 56 -7.128 18.035 -14.389 1.00 0.00 C ATOM 763 CG TYR A 56 -6.334 17.672 -15.627 1.00 0.00 C ATOM 764 CD1 TYR A 56 -6.691 18.198 -16.885 1.00 0.00 C ATOM 765 CD2 TYR A 56 -5.220 16.822 -15.516 1.00 0.00 C ATOM 766 CE1 TYR A 56 -5.941 17.868 -18.025 1.00 0.00 C ATOM 767 CE2 TYR A 56 -4.467 16.499 -16.654 1.00 0.00 C ATOM 768 CZ TYR A 56 -4.826 17.019 -17.909 1.00 0.00 C ATOM 769 OH TYR A 56 -4.099 16.701 -19.016 1.00 0.00 O ATOM 0 H TYR A 56 -9.389 18.066 -15.946 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.513 16.486 -13.648 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.228 19.120 -14.378 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.521 17.761 -13.526 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.543 18.856 -16.972 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.944 16.417 -14.554 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.220 18.266 -18.990 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.609 15.849 -16.566 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.481 17.150 -19.799 1.00 0.00 H new ATOM 779 N GLN A 57 -8.970 18.471 -12.041 1.00 0.00 N ATOM 780 CA GLN A 57 -9.496 19.396 -11.063 1.00 0.00 C ATOM 781 C GLN A 57 -8.350 19.891 -10.184 1.00 0.00 C ATOM 782 O GLN A 57 -7.512 19.103 -9.743 1.00 0.00 O ATOM 783 CB GLN A 57 -10.642 18.784 -10.255 1.00 0.00 C ATOM 784 CG GLN A 57 -11.734 19.850 -10.144 1.00 0.00 C ATOM 785 CD GLN A 57 -12.693 19.951 -11.332 1.00 0.00 C ATOM 786 OE1 GLN A 57 -13.658 20.709 -11.265 1.00 0.00 O ATOM 787 NE2 GLN A 57 -12.465 19.199 -12.414 1.00 0.00 N ATOM 0 H GLN A 57 -8.346 17.773 -11.636 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.934 20.253 -11.575 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.025 17.890 -10.747 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.297 18.481 -9.266 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.319 19.651 -9.246 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.256 20.819 -10.005 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.656 18.578 -12.443 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.100 19.246 -13.211 1.00 0.00 H new ATOM 796 N GLU A 58 -8.334 21.205 -9.928 1.00 0.00 N ATOM 797 CA GLU A 58 -7.304 21.871 -9.145 1.00 0.00 C ATOM 798 C GLU A 58 -7.480 21.751 -7.637 1.00 0.00 C ATOM 799 O GLU A 58 -8.553 21.411 -7.150 1.00 0.00 O ATOM 800 CB GLU A 58 -7.283 23.364 -9.499 1.00 0.00 C ATOM 801 CG GLU A 58 -7.062 23.606 -11.001 1.00 0.00 C ATOM 802 CD GLU A 58 -6.995 25.089 -11.363 1.00 0.00 C ATOM 803 OE1 GLU A 58 -6.497 25.871 -10.524 1.00 0.00 O ATOM 804 OE2 GLU A 58 -7.442 25.415 -12.485 1.00 0.00 O ATOM 0 H GLU A 58 -9.054 21.841 -10.269 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.371 21.368 -9.400 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.225 23.820 -9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.493 23.858 -8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.136 23.120 -11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.870 23.137 -11.562 1.00 0.00 H new ATOM 811 N PHE A 59 -6.387 22.022 -6.912 1.00 0.00 N ATOM 812 CA PHE A 59 -6.338 22.029 -5.463 1.00 0.00 C ATOM 813 C PHE A 59 -5.101 22.834 -5.064 1.00 0.00 C ATOM 814 O PHE A 59 -3.987 22.432 -5.390 1.00 0.00 O ATOM 815 CB PHE A 59 -6.394 20.627 -4.864 1.00 0.00 C ATOM 816 CG PHE A 59 -7.156 20.698 -3.555 1.00 0.00 C ATOM 817 CD1 PHE A 59 -6.483 20.980 -2.354 1.00 0.00 C ATOM 818 CD2 PHE A 59 -8.551 20.502 -3.547 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.207 21.068 -1.154 1.00 0.00 C ATOM 820 CE2 PHE A 59 -9.271 20.584 -2.344 1.00 0.00 C ATOM 821 CZ PHE A 59 -8.599 20.879 -1.146 1.00 0.00 C ATOM 0 H PHE A 59 -5.490 22.248 -7.341 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.225 22.506 -5.047 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.885 19.939 -5.552 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.387 20.245 -4.697 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.413 21.128 -2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -9.069 20.288 -4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.690 21.283 -0.230 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -10.339 20.421 -2.340 1.00 0.00 H new ATOM 0 HZ PHE A 59 -9.151 20.960 -0.221 1.00 0.00 H new ATOM 831 N PRO A 60 -5.236 23.958 -4.351 1.00 0.00 N ATOM 832 CA PRO A 60 -4.098 24.782 -4.024 1.00 0.00 C ATOM 833 C PRO A 60 -3.335 24.290 -2.796 1.00 0.00 C ATOM 834 O PRO A 60 -3.946 23.754 -1.872 1.00 0.00 O ATOM 835 CB PRO A 60 -4.708 26.167 -3.903 1.00 0.00 C ATOM 836 CG PRO A 60 -6.028 25.876 -3.186 1.00 0.00 C ATOM 837 CD PRO A 60 -6.444 24.523 -3.780 1.00 0.00 C ATOM 0 HA PRO A 60 -3.308 24.760 -4.775 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.073 26.843 -3.330 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.867 26.629 -4.878 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.898 25.821 -2.105 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.772 26.649 -3.379 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.858 23.869 -3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.215 24.649 -4.540 1.00 0.00 H new ATOM 845 N ILE A 61 -2.001 24.469 -2.796 1.00 0.00 N ATOM 846 CA ILE A 61 -1.154 24.024 -1.693 1.00 0.00 C ATOM 847 C ILE A 61 -0.520 25.156 -0.918 1.00 0.00 C ATOM 848 O ILE A 61 -0.874 26.330 -1.009 1.00 0.00 O ATOM 849 CB ILE A 61 -0.138 22.950 -2.090 1.00 0.00 C ATOM 850 CG1 ILE A 61 -0.126 21.783 -1.077 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.194 23.448 -2.668 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.031 20.846 -1.334 1.00 0.00 C ATOM 0 H ILE A 61 -1.492 24.922 -3.555 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.845 23.540 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.499 22.488 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.058 22.179 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.064 21.232 -1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.827 22.595 -2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.005 24.027 -3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.697 24.077 -1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.012 20.036 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.948 20.432 -2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.969 21.393 -1.244 1.00 0.00 H new ATOM 864 N LYS A 62 0.454 24.685 -0.159 1.00 0.00 N ATOM 865 CA LYS A 62 1.288 25.421 0.777 1.00 0.00 C ATOM 866 C LYS A 62 2.565 24.650 1.120 1.00 0.00 C ATOM 867 O LYS A 62 2.743 23.510 0.688 1.00 0.00 O ATOM 868 CB LYS A 62 0.432 25.789 2.003 1.00 0.00 C ATOM 869 CG LYS A 62 0.862 27.095 2.685 1.00 0.00 C ATOM 870 CD LYS A 62 -0.289 27.748 3.469 1.00 0.00 C ATOM 871 CE LYS A 62 -1.343 28.429 2.575 1.00 0.00 C ATOM 872 NZ LYS A 62 -2.565 27.620 2.412 1.00 0.00 N ATOM 0 H LYS A 62 0.703 23.696 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 62 1.643 26.347 0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.610 25.876 1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.483 24.977 2.728 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.692 26.893 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.228 27.793 1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.779 26.988 4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.125 28.487 4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.607 29.395 3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.909 28.624 1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.400 28.236 2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.551 27.153 1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.607 26.900 3.161 1.00 0.00 H new ATOM 886 N SER A 63 3.442 25.279 1.914 1.00 0.00 N ATOM 887 CA SER A 63 4.722 24.739 2.349 1.00 0.00 C ATOM 888 C SER A 63 4.618 24.181 3.768 1.00 0.00 C ATOM 889 O SER A 63 5.268 24.674 4.688 1.00 0.00 O ATOM 890 CB SER A 63 5.788 25.835 2.232 1.00 0.00 C ATOM 891 OG SER A 63 7.079 25.290 2.408 1.00 0.00 O ATOM 0 H SER A 63 3.265 26.214 2.281 1.00 0.00 H new ATOM 0 HA SER A 63 5.013 23.906 1.709 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.719 26.315 1.256 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.608 26.607 2.980 1.00 0.00 H new ATOM 0 HG SER A 63 7.748 26.002 2.329 1.00 0.00 H new ATOM 897 N GLY A 64 3.794 23.143 3.942 1.00 0.00 N ATOM 898 CA GLY A 64 3.611 22.500 5.230 1.00 0.00 C ATOM 899 C GLY A 64 2.574 21.388 5.138 1.00 0.00 C ATOM 900 O GLY A 64 2.894 20.222 5.361 1.00 0.00 O ATOM 0 H GLY A 64 3.240 22.732 3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.560 22.090 5.575 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.295 23.237 5.968 1.00 0.00 H new ATOM 904 N GLY A 65 1.329 21.762 4.821 1.00 0.00 N ATOM 905 CA GLY A 65 0.212 20.846 4.677 1.00 0.00 C ATOM 906 C GLY A 65 -0.760 21.359 3.621 1.00 0.00 C ATOM 907 O GLY A 65 -0.429 22.249 2.837 1.00 0.00 O ATOM 0 H GLY A 65 1.073 22.735 4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.577 19.858 4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.302 20.736 5.632 1.00 0.00 H new ATOM 911 N VAL A 66 -1.968 20.784 3.616 1.00 0.00 N ATOM 912 CA VAL A 66 -3.026 21.120 2.675 1.00 0.00 C ATOM 913 C VAL A 66 -3.825 22.346 3.136 1.00 0.00 C ATOM 914 O VAL A 66 -3.794 22.711 4.311 1.00 0.00 O ATOM 915 CB VAL A 66 -3.891 19.869 2.424 1.00 0.00 C ATOM 916 CG1 VAL A 66 -4.653 19.384 3.664 1.00 0.00 C ATOM 917 CG2 VAL A 66 -4.888 20.107 1.289 1.00 0.00 C ATOM 0 H VAL A 66 -2.236 20.059 4.281 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.594 21.417 1.719 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.184 19.086 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.239 18.501 3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.943 19.133 4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.319 20.173 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.484 19.208 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.544 20.937 1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.347 20.345 0.373 1.00 0.00 H new ATOM 927 N TYR A 67 -4.529 22.968 2.178 1.00 0.00 N ATOM 928 CA TYR A 67 -5.382 24.143 2.308 1.00 0.00 C ATOM 929 C TYR A 67 -6.188 24.179 3.609 1.00 0.00 C ATOM 930 O TYR A 67 -6.901 23.230 3.932 1.00 0.00 O ATOM 931 CB TYR A 67 -6.335 24.180 1.104 1.00 0.00 C ATOM 932 CG TYR A 67 -7.353 25.307 1.101 1.00 0.00 C ATOM 933 CD1 TYR A 67 -6.935 26.644 1.244 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.724 25.020 0.946 1.00 0.00 C ATOM 935 CE1 TYR A 67 -7.882 27.682 1.234 1.00 0.00 C ATOM 936 CE2 TYR A 67 -9.668 26.061 0.930 1.00 0.00 C ATOM 937 CZ TYR A 67 -9.248 27.395 1.075 1.00 0.00 C ATOM 938 OH TYR A 67 -10.159 28.411 1.056 1.00 0.00 O ATOM 0 H TYR A 67 -4.510 22.628 1.216 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.733 25.019 2.335 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.738 24.252 0.195 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.871 23.232 1.059 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.886 26.872 1.361 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.050 23.996 0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.558 28.706 1.349 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -10.717 25.836 0.806 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.740 29.219 0.692 1.00 0.00 H new ATOM 948 N THR A 68 -6.063 25.297 4.334 1.00 0.00 N ATOM 949 CA THR A 68 -6.741 25.568 5.593 1.00 0.00 C ATOM 950 C THR A 68 -6.761 27.074 5.875 1.00 0.00 C ATOM 951 O THR A 68 -7.779 27.599 6.326 1.00 0.00 O ATOM 952 CB THR A 68 -6.160 24.737 6.746 1.00 0.00 C ATOM 953 OG1 THR A 68 -6.862 25.011 7.941 1.00 0.00 O ATOM 954 CG2 THR A 68 -4.678 25.022 6.952 1.00 0.00 C ATOM 0 H THR A 68 -5.460 26.066 4.041 1.00 0.00 H new ATOM 0 HA THR A 68 -7.780 25.249 5.506 1.00 0.00 H new ATOM 0 HB THR A 68 -6.271 23.685 6.483 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.486 24.476 8.671 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.302 24.416 7.776 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.130 24.777 6.042 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.540 26.078 7.186 1.00 0.00 H new ATOM 962 N GLY A 69 -5.647 27.769 5.600 1.00 0.00 N ATOM 963 CA GLY A 69 -5.504 29.199 5.821 1.00 0.00 C ATOM 964 C GLY A 69 -6.182 29.993 4.706 1.00 0.00 C ATOM 965 O GLY A 69 -7.299 30.476 4.887 1.00 0.00 O ATOM 0 H GLY A 69 -4.810 27.336 5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.942 29.468 6.782 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.447 29.460 5.868 1.00 0.00 H new ATOM 969 N GLY A 70 -5.495 30.126 3.563 1.00 0.00 N ATOM 970 CA GLY A 70 -5.972 30.856 2.399 1.00 0.00 C ATOM 971 C GLY A 70 -5.149 32.123 2.198 1.00 0.00 C ATOM 972 O GLY A 70 -5.440 33.157 2.797 1.00 0.00 O ATOM 0 H GLY A 70 -4.571 29.716 3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.904 30.225 1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.023 31.113 2.528 1.00 0.00 H new ATOM 976 N SER A 71 -4.125 32.030 1.341 1.00 0.00 N ATOM 977 CA SER A 71 -3.224 33.119 0.995 1.00 0.00 C ATOM 978 C SER A 71 -2.596 32.813 -0.369 1.00 0.00 C ATOM 979 O SER A 71 -2.472 31.639 -0.724 1.00 0.00 O ATOM 980 CB SER A 71 -2.155 33.268 2.086 1.00 0.00 C ATOM 981 OG SER A 71 -1.422 32.071 2.233 1.00 0.00 O ATOM 0 H SER A 71 -3.899 31.161 0.856 1.00 0.00 H new ATOM 0 HA SER A 71 -3.765 34.063 0.930 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.480 34.085 1.831 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.628 33.529 3.033 1.00 0.00 H new ATOM 0 HG SER A 71 -0.744 32.186 2.932 1.00 0.00 H new ATOM 987 N PRO A 72 -2.188 33.832 -1.145 1.00 0.00 N ATOM 988 CA PRO A 72 -1.542 33.636 -2.434 1.00 0.00 C ATOM 989 C PRO A 72 -0.187 32.950 -2.259 1.00 0.00 C ATOM 990 O PRO A 72 0.439 33.051 -1.203 1.00 0.00 O ATOM 991 CB PRO A 72 -1.393 35.033 -3.044 1.00 0.00 C ATOM 992 CG PRO A 72 -1.340 35.942 -1.818 1.00 0.00 C ATOM 993 CD PRO A 72 -2.299 35.252 -0.850 1.00 0.00 C ATOM 0 HA PRO A 72 -2.127 32.988 -3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.488 35.115 -3.646 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.232 35.281 -3.694 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.332 36.012 -1.409 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.661 36.957 -2.052 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.030 35.461 0.185 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.321 35.604 -0.991 1.00 0.00 H new ATOM 1001 N GLY A 73 0.256 32.246 -3.305 1.00 0.00 N ATOM 1002 CA GLY A 73 1.515 31.519 -3.287 1.00 0.00 C ATOM 1003 C GLY A 73 2.019 31.081 -4.664 1.00 0.00 C ATOM 1004 O GLY A 73 3.226 30.901 -4.805 1.00 0.00 O ATOM 0 H GLY A 73 -0.253 32.168 -4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.274 32.146 -2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.400 30.635 -2.659 1.00 0.00 H new ATOM 1008 N ALA A 74 1.126 30.899 -5.654 1.00 0.00 N ATOM 1009 CA ALA A 74 1.426 30.469 -7.021 1.00 0.00 C ATOM 1010 C ALA A 74 1.406 28.947 -7.137 1.00 0.00 C ATOM 1011 O ALA A 74 1.057 28.444 -8.200 1.00 0.00 O ATOM 1012 CB ALA A 74 2.745 31.034 -7.558 1.00 0.00 C ATOM 0 H ALA A 74 0.129 31.057 -5.509 1.00 0.00 H new ATOM 0 HA ALA A 74 0.634 30.881 -7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.907 30.677 -8.575 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.701 32.123 -7.559 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.567 30.705 -6.923 1.00 0.00 H new ATOM 1018 N ASP A 75 1.771 28.236 -6.059 1.00 0.00 N ATOM 1019 CA ASP A 75 1.842 26.784 -5.969 1.00 0.00 C ATOM 1020 C ASP A 75 0.479 26.121 -5.758 1.00 0.00 C ATOM 1021 O ASP A 75 -0.240 26.431 -4.804 1.00 0.00 O ATOM 1022 CB ASP A 75 2.757 26.401 -4.802 1.00 0.00 C ATOM 1023 CG ASP A 75 4.140 27.043 -4.891 1.00 0.00 C ATOM 1024 OD1 ASP A 75 5.022 26.413 -5.512 1.00 0.00 O ATOM 1025 OD2 ASP A 75 4.298 28.149 -4.330 1.00 0.00 O ATOM 0 H ASP A 75 2.037 28.690 -5.185 1.00 0.00 H new ATOM 0 HA ASP A 75 2.231 26.427 -6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.285 26.697 -3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.867 25.317 -4.775 1.00 0.00 H new ATOM 1030 N ARG A 76 0.139 25.189 -6.654 1.00 0.00 N ATOM 1031 CA ARG A 76 -1.107 24.447 -6.593 1.00 0.00 C ATOM 1032 C ARG A 76 -0.979 23.112 -7.321 1.00 0.00 C ATOM 1033 O ARG A 76 -0.547 23.065 -8.473 1.00 0.00 O ATOM 1034 CB ARG A 76 -2.282 25.313 -7.069 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.130 26.058 -8.398 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.237 27.125 -8.498 1.00 0.00 C ATOM 1037 NE ARG A 76 -2.740 28.484 -8.214 1.00 0.00 N ATOM 1038 CZ ARG A 76 -2.639 29.097 -7.021 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -3.068 28.525 -5.887 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -2.102 30.324 -6.967 1.00 0.00 N ATOM 0 H ARG A 76 0.731 24.933 -7.444 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.328 24.196 -5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.161 24.673 -7.143 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.489 26.051 -6.294 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.148 26.526 -8.458 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.202 25.360 -9.232 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.670 27.102 -9.498 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.037 26.881 -7.799 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.435 29.026 -9.022 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.487 27.595 -5.912 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.975 29.019 -5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.778 30.777 -7.822 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.017 30.805 -6.071 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.353 22.028 -6.622 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.313 20.679 -7.159 1.00 0.00 C ATOM 1056 C VAL A 77 -2.615 20.442 -7.904 1.00 0.00 C ATOM 1057 O VAL A 77 -3.665 20.941 -7.508 1.00 0.00 O ATOM 1058 CB VAL A 77 -1.064 19.604 -6.094 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.328 19.763 -5.475 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -2.128 19.572 -4.986 1.00 0.00 C ATOM 0 H VAL A 77 -1.693 22.075 -5.661 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.462 20.595 -7.835 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.130 18.650 -6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.482 18.990 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.085 19.668 -6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.409 20.745 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.884 18.787 -4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.150 20.535 -4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.105 19.372 -5.426 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.552 19.667 -8.984 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.723 19.406 -9.795 1.00 0.00 C ATOM 1072 C VAL A 78 -3.774 17.906 -10.088 1.00 0.00 C ATOM 1073 O VAL A 78 -2.829 17.334 -10.633 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.667 20.354 -11.003 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.866 20.140 -11.931 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.611 21.824 -10.514 1.00 0.00 C ATOM 0 H VAL A 78 -1.700 19.212 -9.312 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.673 19.621 -9.306 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.765 20.133 -11.574 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.799 20.825 -12.776 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.865 19.113 -12.295 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.789 20.330 -11.383 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.571 22.492 -11.374 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.500 22.045 -9.923 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.722 21.970 -9.900 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.899 17.290 -9.699 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.166 15.867 -9.838 1.00 0.00 C ATOM 1088 C ILE A 79 -6.172 15.591 -10.953 1.00 0.00 C ATOM 1089 O ILE A 79 -6.779 16.509 -11.497 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.687 15.310 -8.493 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.069 15.876 -8.101 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.692 15.591 -7.356 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.795 14.957 -7.112 1.00 0.00 C ATOM 0 H ILE A 79 -5.671 17.795 -9.264 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.236 15.366 -10.107 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.793 14.235 -8.639 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.946 16.864 -7.657 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.678 16.002 -8.996 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.084 15.188 -6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.737 15.117 -7.583 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.549 16.667 -7.256 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.764 15.388 -6.859 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.941 13.977 -7.566 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.197 14.852 -6.207 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.349 14.306 -11.273 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.278 13.812 -12.271 1.00 0.00 C ATOM 1107 C ASN A 80 -8.645 13.801 -11.616 1.00 0.00 C ATOM 1108 O ASN A 80 -8.769 13.899 -10.394 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.907 12.388 -12.712 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.855 12.388 -13.813 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -4.679 12.140 -13.553 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -6.293 12.655 -15.047 1.00 0.00 N ATOM 0 H ASN A 80 -5.824 13.558 -10.821 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.257 14.444 -13.159 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.534 11.828 -11.854 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.801 11.873 -13.064 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.640 12.660 -15.830 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.281 12.854 -15.206 1.00 0.00 H new ATOM 1119 N THR A 81 -9.676 13.668 -12.449 1.00 0.00 N ATOM 1120 CA THR A 81 -11.041 13.671 -12.000 1.00 0.00 C ATOM 1121 C THR A 81 -11.448 12.468 -11.166 1.00 0.00 C ATOM 1122 O THR A 81 -12.558 12.447 -10.634 1.00 0.00 O ATOM 1123 CB THR A 81 -11.913 14.036 -13.213 1.00 0.00 C ATOM 1124 OG1 THR A 81 -11.884 15.436 -13.405 1.00 0.00 O ATOM 1125 CG2 THR A 81 -13.352 13.552 -13.165 1.00 0.00 C ATOM 0 H THR A 81 -9.573 13.555 -13.457 1.00 0.00 H new ATOM 0 HA THR A 81 -11.199 14.436 -11.240 1.00 0.00 H new ATOM 0 HB THR A 81 -11.471 13.502 -14.054 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.438 15.672 -14.179 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.872 13.866 -14.070 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.368 12.464 -13.096 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.850 13.978 -12.294 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.560 11.482 -11.029 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.850 10.333 -10.216 1.00 0.00 C ATOM 1135 C ASN A 82 -10.077 10.585 -8.928 1.00 0.00 C ATOM 1136 O ASN A 82 -10.660 10.914 -7.897 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.433 9.041 -10.940 1.00 0.00 C ATOM 1138 CG ASN A 82 -10.557 7.816 -10.033 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -9.555 7.205 -9.668 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -11.789 7.457 -9.666 1.00 0.00 N ATOM 0 H ASN A 82 -9.642 11.469 -11.474 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.912 10.197 -10.010 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -11.055 8.903 -11.824 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.404 9.134 -11.286 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -11.925 6.648 -9.060 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.594 7.992 -9.991 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.755 10.432 -9.027 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.833 10.565 -7.903 1.00 0.00 C ATOM 1149 C CYS A 83 -6.334 10.708 -8.214 1.00 0.00 C ATOM 1150 O CYS A 83 -5.572 11.056 -7.315 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.058 9.403 -6.920 1.00 0.00 C ATOM 1152 SG CYS A 83 -8.871 9.879 -5.376 1.00 0.00 S ATOM 0 H CYS A 83 -8.290 10.208 -9.907 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.087 11.534 -7.474 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.658 8.638 -7.412 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.095 8.950 -6.685 1.00 0.00 H new ATOM 1157 N GLU A 84 -5.895 10.466 -9.457 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.465 10.461 -9.784 1.00 0.00 C ATOM 1159 C GLU A 84 -3.761 11.803 -9.967 1.00 0.00 C ATOM 1160 O GLU A 84 -4.196 12.632 -10.753 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.274 9.596 -11.043 1.00 0.00 C ATOM 1162 CG GLU A 84 -2.822 9.505 -11.544 1.00 0.00 C ATOM 1163 CD GLU A 84 -1.833 9.026 -10.476 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -2.144 8.006 -9.823 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -0.781 9.689 -10.336 1.00 0.00 O ATOM 0 H GLU A 84 -6.508 10.272 -10.249 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.980 10.062 -8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.636 8.589 -10.834 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.896 9.999 -11.842 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.782 8.825 -12.395 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.509 10.485 -11.904 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.650 11.993 -9.235 1.00 0.00 N ATOM 1173 CA TYR A 85 -1.801 13.181 -9.280 1.00 0.00 C ATOM 1174 C TYR A 85 -1.334 13.357 -10.727 1.00 0.00 C ATOM 1175 O TYR A 85 -0.557 12.548 -11.228 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.627 13.015 -8.286 1.00 0.00 C ATOM 1177 CG TYR A 85 0.605 13.886 -8.513 1.00 0.00 C ATOM 1178 CD1 TYR A 85 1.642 13.414 -9.345 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.740 15.151 -7.902 1.00 0.00 C ATOM 1180 CE1 TYR A 85 2.789 14.193 -9.578 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.880 15.933 -8.151 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.906 15.460 -8.985 1.00 0.00 C ATOM 1183 OH TYR A 85 4.011 16.229 -9.214 1.00 0.00 O ATOM 0 H TYR A 85 -2.312 11.294 -8.574 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.339 14.079 -8.977 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.003 13.215 -7.283 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.312 11.972 -8.306 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.554 12.443 -9.809 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.033 15.518 -7.243 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.579 13.817 -10.212 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.968 16.909 -7.696 1.00 0.00 H new ATOM 0 HH TYR A 85 4.369 16.030 -10.104 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.818 14.409 -11.402 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.454 14.674 -12.784 1.00 0.00 C ATOM 1195 C ALA A 86 -0.098 15.369 -12.792 1.00 0.00 C ATOM 1196 O ALA A 86 0.801 14.969 -13.528 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.532 15.513 -13.472 1.00 0.00 C ATOM 0 H ALA A 86 -2.466 15.088 -11.003 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.380 13.743 -13.345 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.242 15.701 -14.506 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.479 14.974 -13.453 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.644 16.462 -12.948 1.00 0.00 H new ATOM 1203 N GLY A 87 0.040 16.408 -11.959 1.00 0.00 N ATOM 1204 CA GLY A 87 1.276 17.154 -11.839 1.00 0.00 C ATOM 1205 C GLY A 87 1.119 18.363 -10.923 1.00 0.00 C ATOM 1206 O GLY A 87 0.028 18.922 -10.792 1.00 0.00 O ATOM 0 H GLY A 87 -0.708 16.747 -11.354 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.058 16.502 -11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.599 17.485 -12.826 1.00 0.00 H new ATOM 1210 N ALA A 88 2.231 18.744 -10.283 1.00 0.00 N ATOM 1211 CA ALA A 88 2.325 19.888 -9.394 1.00 0.00 C ATOM 1212 C ALA A 88 2.801 21.046 -10.263 1.00 0.00 C ATOM 1213 O ALA A 88 3.823 20.919 -10.935 1.00 0.00 O ATOM 1214 CB ALA A 88 3.319 19.607 -8.264 1.00 0.00 C ATOM 0 H ALA A 88 3.114 18.242 -10.379 1.00 0.00 H new ATOM 0 HA ALA A 88 1.369 20.114 -8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.378 20.475 -7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.985 18.741 -7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.303 19.405 -8.687 1.00 0.00 H new ATOM 1220 N ILE A 89 2.069 22.166 -10.261 1.00 0.00 N ATOM 1221 CA ILE A 89 2.411 23.332 -11.065 1.00 0.00 C ATOM 1222 C ILE A 89 2.470 24.577 -10.185 1.00 0.00 C ATOM 1223 O ILE A 89 1.849 24.620 -9.123 1.00 0.00 O ATOM 1224 CB ILE A 89 1.431 23.472 -12.246 1.00 0.00 C ATOM 1225 CG1 ILE A 89 -0.024 23.628 -11.766 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.568 22.269 -13.191 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.985 23.986 -12.904 1.00 0.00 C ATOM 0 H ILE A 89 1.225 22.284 -9.701 1.00 0.00 H new ATOM 0 HA ILE A 89 3.404 23.205 -11.497 1.00 0.00 H new ATOM 0 HB ILE A 89 1.689 24.381 -12.790 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.350 22.699 -11.299 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.069 24.402 -11.000 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.871 22.378 -14.022 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.587 22.223 -13.576 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.343 21.352 -12.647 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.996 24.084 -12.509 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.679 24.930 -13.355 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.965 23.200 -13.658 1.00 0.00 H new ATOM 1239 N THR A 90 3.228 25.590 -10.625 1.00 0.00 N ATOM 1240 CA THR A 90 3.385 26.826 -9.878 1.00 0.00 C ATOM 1241 C THR A 90 3.786 28.002 -10.761 1.00 0.00 C ATOM 1242 O THR A 90 4.380 27.798 -11.818 1.00 0.00 O ATOM 1243 CB THR A 90 4.454 26.636 -8.786 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.510 27.790 -7.975 1.00 0.00 O ATOM 1245 CG2 THR A 90 5.849 26.374 -9.377 1.00 0.00 C ATOM 0 H THR A 90 3.743 25.568 -11.505 1.00 0.00 H new ATOM 0 HA THR A 90 2.415 27.058 -9.439 1.00 0.00 H new ATOM 0 HB THR A 90 4.168 25.764 -8.198 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.299 27.745 -7.395 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.569 26.247 -8.568 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.823 25.470 -9.985 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.146 27.220 -9.997 1.00 0.00 H new ATOM 1253 N HIS A 91 3.447 29.229 -10.329 1.00 0.00 N ATOM 1254 CA HIS A 91 3.872 30.425 -11.070 1.00 0.00 C ATOM 1255 C HIS A 91 5.339 30.746 -10.744 1.00 0.00 C ATOM 1256 O HIS A 91 5.951 31.534 -11.462 1.00 0.00 O ATOM 1257 CB HIS A 91 3.070 31.734 -10.900 1.00 0.00 C ATOM 1258 CG HIS A 91 1.570 31.664 -10.886 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.784 32.807 -10.834 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.683 30.621 -10.914 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.499 32.410 -10.822 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.630 31.084 -10.869 1.00 0.00 N ATOM 0 H HIS A 91 2.894 29.415 -9.492 1.00 0.00 H new ATOM 0 HA HIS A 91 3.690 30.122 -12.101 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.388 32.198 -9.966 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.362 32.408 -11.706 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.964 29.579 -10.964 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.335 33.092 -10.779 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.491 30.537 -10.871 1.00 0.00 H new ATOM 1270 N THR A 92 5.898 30.159 -9.670 1.00 0.00 N ATOM 1271 CA THR A 92 7.276 30.358 -9.240 1.00 0.00 C ATOM 1272 C THR A 92 8.225 29.952 -10.371 1.00 0.00 C ATOM 1273 O THR A 92 8.434 28.765 -10.616 1.00 0.00 O ATOM 1274 CB THR A 92 7.530 29.564 -7.946 1.00 0.00 C ATOM 1275 OG1 THR A 92 6.564 29.919 -6.977 1.00 0.00 O ATOM 1276 CG2 THR A 92 8.925 29.837 -7.374 1.00 0.00 C ATOM 0 H THR A 92 5.382 29.518 -9.068 1.00 0.00 H new ATOM 0 HA THR A 92 7.460 31.409 -9.019 1.00 0.00 H new ATOM 0 HB THR A 92 7.460 28.504 -8.191 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.725 29.412 -6.154 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.064 29.257 -6.461 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.681 29.549 -8.105 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.024 30.899 -7.148 1.00 0.00 H new ATOM 1284 N GLY A 93 8.784 30.957 -11.056 1.00 0.00 N ATOM 1285 CA GLY A 93 9.695 30.793 -12.176 1.00 0.00 C ATOM 1286 C GLY A 93 8.909 30.755 -13.484 1.00 0.00 C ATOM 1287 O GLY A 93 9.049 29.810 -14.256 1.00 0.00 O ATOM 0 H GLY A 93 8.603 31.936 -10.832 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.412 31.614 -12.196 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.267 29.873 -12.059 1.00 0.00 H new ATOM 1291 N ALA A 94 8.093 31.789 -13.730 1.00 0.00 N ATOM 1292 CA ALA A 94 7.273 31.934 -14.928 1.00 0.00 C ATOM 1293 C ALA A 94 7.179 33.411 -15.320 1.00 0.00 C ATOM 1294 O ALA A 94 7.832 34.259 -14.714 1.00 0.00 O ATOM 1295 CB ALA A 94 5.885 31.337 -14.670 1.00 0.00 C ATOM 0 H ALA A 94 7.986 32.567 -13.079 1.00 0.00 H new ATOM 0 HA ALA A 94 7.731 31.396 -15.758 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.271 31.444 -15.564 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.984 30.280 -14.422 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.412 31.861 -13.840 1.00 0.00 H new ATOM 1301 N SER A 95 6.370 33.714 -16.345 1.00 0.00 N ATOM 1302 CA SER A 95 6.149 35.066 -16.844 1.00 0.00 C ATOM 1303 C SER A 95 5.634 35.986 -15.733 1.00 0.00 C ATOM 1304 O SER A 95 6.144 37.091 -15.554 1.00 0.00 O ATOM 1305 CB SER A 95 5.163 35.031 -18.018 1.00 0.00 C ATOM 1306 OG SER A 95 5.563 34.074 -18.976 1.00 0.00 O ATOM 0 H SER A 95 5.843 33.006 -16.857 1.00 0.00 H new ATOM 0 HA SER A 95 7.101 35.468 -17.191 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.164 34.793 -17.653 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.107 36.016 -18.482 1.00 0.00 H new ATOM 0 HG SER A 95 4.921 34.065 -19.717 1.00 0.00 H new ATOM 1312 N GLY A 96 4.627 35.515 -14.986 1.00 0.00 N ATOM 1313 CA GLY A 96 4.015 36.232 -13.881 1.00 0.00 C ATOM 1314 C GLY A 96 2.777 35.453 -13.454 1.00 0.00 C ATOM 1315 O GLY A 96 2.748 34.857 -12.379 1.00 0.00 O ATOM 0 H GLY A 96 4.210 34.598 -15.146 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.715 36.324 -13.050 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.745 37.244 -14.184 1.00 0.00 H new ATOM 1319 N ASN A 97 1.755 35.480 -14.317 1.00 0.00 N ATOM 1320 CA ASN A 97 0.491 34.782 -14.129 1.00 0.00 C ATOM 1321 C ASN A 97 0.618 33.350 -14.664 1.00 0.00 C ATOM 1322 O ASN A 97 -0.062 32.448 -14.178 1.00 0.00 O ATOM 1323 CB ASN A 97 -0.645 35.548 -14.821 1.00 0.00 C ATOM 1324 CG ASN A 97 -0.493 35.600 -16.342 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -1.071 34.779 -17.052 1.00 0.00 O ATOM 1326 ND2 ASN A 97 0.278 36.567 -16.846 1.00 0.00 N ATOM 0 H ASN A 97 1.792 36.006 -15.190 1.00 0.00 H new ATOM 0 HA ASN A 97 0.250 34.731 -13.067 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.596 35.078 -14.573 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.680 36.565 -14.430 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.405 36.644 -17.855 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.740 37.228 -16.222 1.00 0.00 H new ATOM 1333 N ASN A 98 1.494 33.158 -15.664 1.00 0.00 N ATOM 1334 CA ASN A 98 1.794 31.891 -16.316 1.00 0.00 C ATOM 1335 C ASN A 98 2.266 30.842 -15.303 1.00 0.00 C ATOM 1336 O ASN A 98 2.700 31.179 -14.203 1.00 0.00 O ATOM 1337 CB ASN A 98 2.855 32.161 -17.394 1.00 0.00 C ATOM 1338 CG ASN A 98 3.247 30.922 -18.199 1.00 0.00 C ATOM 1339 OD1 ASN A 98 2.388 30.145 -18.609 1.00 0.00 O ATOM 1340 ND2 ASN A 98 4.551 30.737 -18.422 1.00 0.00 N ATOM 0 H ASN A 98 2.036 33.929 -16.054 1.00 0.00 H new ATOM 0 HA ASN A 98 0.896 31.481 -16.777 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.479 32.923 -18.077 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.746 32.571 -16.919 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.868 29.925 -18.952 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.230 31.408 -18.063 1.00 0.00 H new ATOM 1347 N PHE A 99 2.182 29.568 -15.702 1.00 0.00 N ATOM 1348 CA PHE A 99 2.546 28.402 -14.913 1.00 0.00 C ATOM 1349 C PHE A 99 3.737 27.651 -15.514 1.00 0.00 C ATOM 1350 O PHE A 99 4.066 27.814 -16.688 1.00 0.00 O ATOM 1351 CB PHE A 99 1.344 27.446 -14.908 1.00 0.00 C ATOM 1352 CG PHE A 99 0.423 27.663 -13.735 1.00 0.00 C ATOM 1353 CD1 PHE A 99 0.771 27.105 -12.496 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.757 28.416 -13.866 1.00 0.00 C ATOM 1355 CE1 PHE A 99 -0.063 27.274 -11.385 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.593 28.594 -12.751 1.00 0.00 C ATOM 1357 CZ PHE A 99 -1.241 28.023 -11.514 1.00 0.00 C ATOM 0 H PHE A 99 1.841 29.318 -16.630 1.00 0.00 H new ATOM 0 HA PHE A 99 2.820 28.736 -13.912 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.781 27.574 -15.833 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.705 26.418 -14.894 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.687 26.542 -12.399 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.019 28.855 -14.817 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.199 26.831 -10.436 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.503 29.168 -12.843 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.883 28.163 -10.657 1.00 0.00 H new ATOM 1367 N VAL A 100 4.366 26.824 -14.670 1.00 0.00 N ATOM 1368 CA VAL A 100 5.490 25.952 -14.984 1.00 0.00 C ATOM 1369 C VAL A 100 5.343 24.690 -14.132 1.00 0.00 C ATOM 1370 O VAL A 100 4.592 24.677 -13.157 1.00 0.00 O ATOM 1371 CB VAL A 100 6.869 26.610 -14.798 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.145 27.641 -15.895 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.068 27.211 -13.406 1.00 0.00 C ATOM 0 H VAL A 100 4.082 26.746 -13.693 1.00 0.00 H new ATOM 0 HA VAL A 100 5.456 25.713 -16.047 1.00 0.00 H new ATOM 0 HB VAL A 100 7.603 25.809 -14.889 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.126 28.088 -15.736 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.123 27.151 -16.869 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.382 28.419 -15.863 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.060 27.659 -13.341 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.312 27.976 -13.229 1.00 0.00 H new ATOM 0 HG23 VAL A 100 6.974 26.427 -12.654 1.00 0.00 H new ATOM 1383 N GLY A 101 6.077 23.635 -14.503 1.00 0.00 N ATOM 1384 CA GLY A 101 6.047 22.345 -13.828 1.00 0.00 C ATOM 1385 C GLY A 101 7.051 22.265 -12.680 1.00 0.00 C ATOM 1386 O GLY A 101 8.035 23.005 -12.668 1.00 0.00 O ATOM 0 H GLY A 101 6.718 23.661 -15.296 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.044 22.163 -13.443 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.260 21.556 -14.549 1.00 0.00 H new ATOM 1390 N CYS A 102 6.789 21.367 -11.718 1.00 0.00 N ATOM 1391 CA CYS A 102 7.644 21.136 -10.558 1.00 0.00 C ATOM 1392 C CYS A 102 8.459 19.848 -10.727 1.00 0.00 C ATOM 1393 O CYS A 102 8.453 19.248 -11.803 1.00 0.00 O ATOM 1394 CB CYS A 102 6.813 21.131 -9.273 1.00 0.00 C ATOM 1395 SG CYS A 102 5.688 22.533 -9.021 1.00 0.00 S ATOM 0 H CYS A 102 5.960 20.773 -11.731 1.00 0.00 H new ATOM 0 HA CYS A 102 8.359 21.955 -10.480 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.223 20.214 -9.253 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.498 21.088 -8.426 1.00 0.00 H new ATOM 1400 N SER A 103 9.153 19.412 -9.662 1.00 0.00 N ATOM 1401 CA SER A 103 9.993 18.214 -9.691 1.00 0.00 C ATOM 1402 C SER A 103 9.126 16.973 -9.469 1.00 0.00 C ATOM 1403 O SER A 103 9.075 16.410 -8.378 1.00 0.00 O ATOM 1404 CB SER A 103 11.145 18.318 -8.684 1.00 0.00 C ATOM 1405 OG SER A 103 11.739 19.600 -8.728 1.00 0.00 O ATOM 0 H SER A 103 9.144 19.885 -8.758 1.00 0.00 H new ATOM 0 HA SER A 103 10.458 18.124 -10.673 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.774 18.119 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 103 11.895 17.558 -8.903 1.00 0.00 H new ATOM 0 HG SER A 103 11.142 20.252 -8.305 1.00 0.00 H new ATOM 1411 N GLY A 104 8.451 16.547 -10.536 1.00 0.00 N ATOM 1412 CA GLY A 104 7.538 15.415 -10.555 1.00 0.00 C ATOM 1413 C GLY A 104 6.668 15.476 -11.812 1.00 0.00 C ATOM 1414 O GLY A 104 6.194 14.447 -12.292 1.00 0.00 O ATOM 0 H GLY A 104 8.532 17.002 -11.445 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.100 14.481 -10.535 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.909 15.427 -9.665 1.00 0.00 H new ATOM 1418 N THR A 105 6.468 16.691 -12.339 1.00 0.00 N ATOM 1419 CA THR A 105 5.702 16.986 -13.531 1.00 0.00 C ATOM 1420 C THR A 105 6.588 16.666 -14.735 1.00 0.00 C ATOM 1421 O THR A 105 7.690 17.199 -14.847 1.00 0.00 O ATOM 1422 CB THR A 105 5.338 18.474 -13.463 1.00 0.00 C ATOM 1423 OG1 THR A 105 4.492 18.670 -12.353 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.647 19.003 -14.717 1.00 0.00 C ATOM 0 H THR A 105 6.862 17.531 -11.914 1.00 0.00 H new ATOM 0 HA THR A 105 4.786 16.401 -13.615 1.00 0.00 H new ATOM 0 HB THR A 105 6.272 19.029 -13.373 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.416 19.629 -12.165 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.423 20.062 -14.590 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.304 18.872 -15.577 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.720 18.453 -14.881 1.00 0.00 H new ATOM 1432 N ASN A 106 6.092 15.786 -15.614 1.00 0.00 N ATOM 1433 CA ASN A 106 6.754 15.310 -16.823 1.00 0.00 C ATOM 1434 C ASN A 106 7.918 14.387 -16.450 1.00 0.00 C ATOM 1435 O ASN A 106 7.616 13.227 -16.092 1.00 0.00 O ATOM 1436 CB ASN A 106 7.179 16.458 -17.758 1.00 0.00 C ATOM 1437 CG ASN A 106 6.033 17.403 -18.128 1.00 0.00 C ATOM 1438 OD1 ASN A 106 4.858 17.069 -17.982 1.00 0.00 O ATOM 1439 ND2 ASN A 106 6.384 18.596 -18.613 1.00 0.00 N ATOM 1440 OXT ASN A 106 9.049 14.905 -16.331 1.00 0.00 O ATOM 0 H ASN A 106 5.170 15.369 -15.489 1.00 0.00 H new ATOM 0 HA ASN A 106 6.034 14.729 -17.399 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.972 17.032 -17.278 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.599 16.035 -18.671 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.666 19.270 -18.878 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.370 18.834 -18.718 1.00 0.00 H new TER 1447 ASN A 106