USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 706 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 68 GLN : amide:sc= -3.18! C(o=-3.2!,f=-3.6!) USER MOD Set 1.2: A 72 GLN : amide:sc= -0.0513 X(o=-3.2,f=-3.3) USER MOD Set 2.1: A 25 GLN :FLIP amide:sc= -5.26! C(o=-9.3!,f=-8.3!) USER MOD Set 2.2: A 37 MET CE :methyl -136:sc= -3.06 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -141:sc= -0.909 (180deg=-1.78!) USER MOD Single : A 7 ASN : amide:sc= -3.68 K(o=-3.7,f=-7.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -179:sc= -0.0519 (180deg=-0.0548) USER MOD Single : A 19 SER OG : rot 180:sc= -1.72! USER MOD Single : A 23 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.8!) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.106 F(o=-1.6!,f=-0.11) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.0096) USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 15:sc= -1.97 USER MOD Single : A 54 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.08) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.392 K(o=-0.39,f=-2.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.145 X(o=-0.15,f=-0.39) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 66:sc= 0.809 USER MOD Single : A 90 LYS NZ :NH3+ 176:sc= 0.439 (180deg=0.43) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 1.135 22.439 -7.489 1.00 0.00 N ATOM 63 CA LYS A 5 1.995 21.324 -7.879 1.00 0.00 C ATOM 64 C LYS A 5 2.725 20.721 -6.684 1.00 0.00 C ATOM 65 O LYS A 5 3.098 19.552 -6.708 1.00 0.00 O ATOM 66 CB LYS A 5 3.016 21.797 -8.911 1.00 0.00 C ATOM 67 CG LYS A 5 3.730 23.079 -8.514 1.00 0.00 C ATOM 68 CD LYS A 5 5.032 22.786 -7.786 1.00 0.00 C ATOM 69 CE LYS A 5 5.593 24.034 -7.123 1.00 0.00 C ATOM 70 NZ LYS A 5 5.034 24.236 -5.757 1.00 0.00 N ATOM 0 HA LYS A 5 1.357 20.551 -8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.756 21.011 -9.065 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.512 21.952 -9.865 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.935 23.674 -9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.080 23.676 -7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.863 22.017 -7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.762 22.387 -8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.679 23.957 -7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.369 24.905 -7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.860 25.249 -5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.139 23.713 -5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.712 23.887 -5.049 1.00 0.00 H new ATOM 84 N ALA A 6 2.923 21.514 -5.642 1.00 0.00 N ATOM 85 CA ALA A 6 3.600 21.029 -4.446 1.00 0.00 C ATOM 86 C ALA A 6 2.851 19.833 -3.859 1.00 0.00 C ATOM 87 O ALA A 6 3.455 18.830 -3.471 1.00 0.00 O ATOM 88 CB ALA A 6 3.722 22.141 -3.415 1.00 0.00 C ATOM 0 H ALA A 6 2.628 22.489 -5.598 1.00 0.00 H new ATOM 0 HA ALA A 6 4.604 20.706 -4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.230 21.761 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.296 22.966 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.728 22.493 -3.140 1.00 0.00 H new ATOM 94 N ASN A 7 1.525 19.945 -3.815 1.00 0.00 N ATOM 95 CA ASN A 7 0.680 18.878 -3.293 1.00 0.00 C ATOM 96 C ASN A 7 0.655 17.695 -4.257 1.00 0.00 C ATOM 97 O ASN A 7 0.809 16.545 -3.849 1.00 0.00 O ATOM 98 CB ASN A 7 -0.741 19.401 -3.059 1.00 0.00 C ATOM 99 CG ASN A 7 -1.717 18.304 -2.677 1.00 0.00 C ATOM 100 OD1 ASN A 7 -1.401 17.426 -1.876 1.00 0.00 O ATOM 101 ND2 ASN A 7 -2.912 18.350 -3.254 1.00 0.00 N ATOM 0 H ASN A 7 1.013 20.767 -4.136 1.00 0.00 H new ATOM 0 HA ASN A 7 1.093 18.540 -2.343 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -0.721 20.153 -2.271 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -1.094 19.896 -3.963 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.610 17.639 -3.038 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.132 19.097 -3.913 1.00 0.00 H new ATOM 108 N LYS A 8 0.463 17.989 -5.540 1.00 0.00 N ATOM 109 CA LYS A 8 0.424 16.951 -6.565 1.00 0.00 C ATOM 110 C LYS A 8 1.739 16.186 -6.598 1.00 0.00 C ATOM 111 O LYS A 8 1.761 14.970 -6.789 1.00 0.00 O ATOM 112 CB LYS A 8 0.139 17.571 -7.934 1.00 0.00 C ATOM 113 CG LYS A 8 0.137 16.564 -9.074 1.00 0.00 C ATOM 114 CD LYS A 8 -1.148 15.752 -9.097 1.00 0.00 C ATOM 115 CE LYS A 8 -2.171 16.356 -10.045 1.00 0.00 C ATOM 116 NZ LYS A 8 -3.565 16.158 -9.559 1.00 0.00 N ATOM 0 H LYS A 8 0.332 18.937 -5.894 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.377 16.253 -6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.829 18.072 -7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.887 18.337 -8.139 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.255 17.087 -10.023 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.990 15.894 -8.971 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.928 14.729 -9.401 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.567 15.702 -8.092 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.975 17.422 -10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.063 15.904 -11.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.232 16.584 -10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.762 15.140 -9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.676 16.611 -8.629 1.00 0.00 H new ATOM 130 N ASP A 9 2.835 16.908 -6.399 1.00 0.00 N ATOM 131 CA ASP A 9 4.156 16.303 -6.392 1.00 0.00 C ATOM 132 C ASP A 9 4.286 15.358 -5.208 1.00 0.00 C ATOM 133 O ASP A 9 4.758 14.229 -5.348 1.00 0.00 O ATOM 134 CB ASP A 9 5.239 17.382 -6.325 1.00 0.00 C ATOM 135 CG ASP A 9 6.639 16.800 -6.355 1.00 0.00 C ATOM 136 OD1 ASP A 9 7.148 16.535 -7.464 1.00 0.00 O ATOM 137 OD2 ASP A 9 7.225 16.607 -5.269 1.00 0.00 O ATOM 0 H ASP A 9 2.832 17.916 -6.240 1.00 0.00 H new ATOM 0 HA ASP A 9 4.287 15.738 -7.315 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.116 18.069 -7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.111 17.965 -5.413 1.00 0.00 H new ATOM 142 N LEU A 10 3.858 15.826 -4.040 1.00 0.00 N ATOM 143 CA LEU A 10 3.920 15.020 -2.830 1.00 0.00 C ATOM 144 C LEU A 10 3.094 13.744 -2.981 1.00 0.00 C ATOM 145 O LEU A 10 3.542 12.659 -2.611 1.00 0.00 O ATOM 146 CB LEU A 10 3.421 15.827 -1.629 1.00 0.00 C ATOM 147 CG LEU A 10 4.146 15.545 -0.311 1.00 0.00 C ATOM 148 CD1 LEU A 10 3.832 14.141 0.181 1.00 0.00 C ATOM 149 CD2 LEU A 10 5.647 15.731 -0.478 1.00 0.00 C ATOM 0 H LEU A 10 3.465 16.758 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 10 4.960 14.739 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.517 16.888 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.359 15.626 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 10 3.793 16.256 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.356 13.958 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.758 14.043 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.156 13.414 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.147 15.526 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.016 15.044 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.855 16.756 -0.784 1.00 0.00 H new ATOM 161 N ILE A 11 1.878 13.879 -3.513 1.00 0.00 N ATOM 162 CA ILE A 11 1.001 12.727 -3.687 1.00 0.00 C ATOM 163 C ILE A 11 1.592 11.719 -4.670 1.00 0.00 C ATOM 164 O ILE A 11 1.694 10.531 -4.360 1.00 0.00 O ATOM 165 CB ILE A 11 -0.396 13.155 -4.182 1.00 0.00 C ATOM 166 CG1 ILE A 11 -0.978 14.234 -3.265 1.00 0.00 C ATOM 167 CG2 ILE A 11 -1.332 11.956 -4.255 1.00 0.00 C ATOM 168 CD1 ILE A 11 -1.920 15.184 -3.971 1.00 0.00 C ATOM 0 H ILE A 11 1.484 14.766 -3.827 1.00 0.00 H new ATOM 0 HA ILE A 11 0.905 12.256 -2.709 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.293 13.569 -5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.509 13.753 -2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.160 14.806 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.312 12.280 -4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.925 11.218 -4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.431 11.511 -3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.294 15.921 -3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.389 15.693 -4.775 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.758 14.624 -4.387 1.00 0.00 H new ATOM 180 N SER A 12 1.979 12.185 -5.855 1.00 0.00 N ATOM 181 CA SER A 12 2.553 11.303 -6.865 1.00 0.00 C ATOM 182 C SER A 12 3.858 10.693 -6.374 1.00 0.00 C ATOM 183 O SER A 12 4.134 9.518 -6.621 1.00 0.00 O ATOM 184 CB SER A 12 2.791 12.070 -8.168 1.00 0.00 C ATOM 185 OG SER A 12 3.554 11.301 -9.082 1.00 0.00 O ATOM 0 H SER A 12 1.906 13.162 -6.137 1.00 0.00 H new ATOM 0 HA SER A 12 1.844 10.496 -7.052 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.834 12.332 -8.619 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.309 13.005 -7.954 1.00 0.00 H new ATOM 0 HG SER A 12 3.690 11.813 -9.906 1.00 0.00 H new ATOM 191 N ALA A 13 4.654 11.486 -5.665 1.00 0.00 N ATOM 192 CA ALA A 13 5.918 11.001 -5.131 1.00 0.00 C ATOM 193 C ALA A 13 5.663 9.853 -4.167 1.00 0.00 C ATOM 194 O ALA A 13 6.328 8.821 -4.221 1.00 0.00 O ATOM 195 CB ALA A 13 6.675 12.126 -4.440 1.00 0.00 C ATOM 0 H ALA A 13 4.447 12.461 -5.449 1.00 0.00 H new ATOM 0 HA ALA A 13 6.533 10.638 -5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.617 11.743 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.877 12.922 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.074 12.519 -3.620 1.00 0.00 H new ATOM 201 N GLY A 14 4.681 10.034 -3.294 1.00 0.00 N ATOM 202 CA GLY A 14 4.343 8.995 -2.347 1.00 0.00 C ATOM 203 C GLY A 14 3.785 7.771 -3.044 1.00 0.00 C ATOM 204 O GLY A 14 3.946 6.647 -2.568 1.00 0.00 O ATOM 0 H GLY A 14 4.115 10.880 -3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.230 8.718 -1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.611 9.375 -1.634 1.00 0.00 H new ATOM 208 N LEU A 15 3.130 7.991 -4.184 1.00 0.00 N ATOM 209 CA LEU A 15 2.551 6.895 -4.951 1.00 0.00 C ATOM 210 C LEU A 15 3.644 6.051 -5.602 1.00 0.00 C ATOM 211 O LEU A 15 3.546 4.825 -5.648 1.00 0.00 O ATOM 212 CB LEU A 15 1.620 7.454 -6.035 1.00 0.00 C ATOM 213 CG LEU A 15 0.122 7.300 -5.761 1.00 0.00 C ATOM 214 CD1 LEU A 15 -0.555 8.663 -5.717 1.00 0.00 C ATOM 215 CD2 LEU A 15 -0.527 6.420 -6.820 1.00 0.00 C ATOM 0 H LEU A 15 2.989 8.915 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 15 1.982 6.262 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.840 8.513 -6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.852 6.960 -6.978 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.002 6.820 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.620 8.534 -5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.110 9.265 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.420 9.167 -6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.592 6.322 -6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.392 6.873 -7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.062 5.434 -6.808 1.00 0.00 H new ATOM 227 N LYS A 16 4.680 6.713 -6.115 1.00 0.00 N ATOM 228 CA LYS A 16 5.774 6.010 -6.774 1.00 0.00 C ATOM 229 C LYS A 16 6.625 5.243 -5.764 1.00 0.00 C ATOM 230 O LYS A 16 6.971 4.082 -5.988 1.00 0.00 O ATOM 231 CB LYS A 16 6.632 6.994 -7.591 1.00 0.00 C ATOM 232 CG LYS A 16 7.671 7.763 -6.785 1.00 0.00 C ATOM 233 CD LYS A 16 9.011 7.046 -6.760 1.00 0.00 C ATOM 234 CE LYS A 16 10.038 7.819 -5.949 1.00 0.00 C ATOM 235 NZ LYS A 16 11.282 7.031 -5.727 1.00 0.00 N ATOM 0 H LYS A 16 4.783 7.727 -6.087 1.00 0.00 H new ATOM 0 HA LYS A 16 5.345 5.280 -7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.142 6.440 -8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.971 7.709 -8.081 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.799 8.758 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.312 7.898 -5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.885 6.050 -6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.374 6.914 -7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.284 8.747 -6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.607 8.095 -4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.949 7.588 -5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.050 6.149 -5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.717 6.804 -6.644 1.00 0.00 H new ATOM 249 N GLU A 17 6.949 5.889 -4.649 1.00 0.00 N ATOM 250 CA GLU A 17 7.751 5.252 -3.613 1.00 0.00 C ATOM 251 C GLU A 17 7.027 4.032 -3.061 1.00 0.00 C ATOM 252 O GLU A 17 7.614 2.959 -2.913 1.00 0.00 O ATOM 253 CB GLU A 17 8.046 6.243 -2.485 1.00 0.00 C ATOM 254 CG GLU A 17 9.471 6.772 -2.497 1.00 0.00 C ATOM 255 CD GLU A 17 9.565 8.198 -1.992 1.00 0.00 C ATOM 256 OE1 GLU A 17 9.033 8.478 -0.898 1.00 0.00 O ATOM 257 OE2 GLU A 17 10.171 9.038 -2.693 1.00 0.00 O ATOM 0 H GLU A 17 6.670 6.848 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 17 8.695 4.931 -4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.355 7.083 -2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.855 5.758 -1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.099 6.129 -1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.865 6.723 -3.512 1.00 0.00 H new ATOM 264 N PHE A 18 5.744 4.203 -2.762 1.00 0.00 N ATOM 265 CA PHE A 18 4.939 3.117 -2.229 1.00 0.00 C ATOM 266 C PHE A 18 4.904 1.943 -3.198 1.00 0.00 C ATOM 267 O PHE A 18 5.136 0.799 -2.808 1.00 0.00 O ATOM 268 CB PHE A 18 3.517 3.598 -1.939 1.00 0.00 C ATOM 269 CG PHE A 18 2.844 2.852 -0.823 1.00 0.00 C ATOM 270 CD1 PHE A 18 3.302 2.964 0.480 1.00 0.00 C ATOM 271 CD2 PHE A 18 1.749 2.041 -1.076 1.00 0.00 C ATOM 272 CE1 PHE A 18 2.684 2.280 1.508 1.00 0.00 C ATOM 273 CE2 PHE A 18 1.124 1.355 -0.051 1.00 0.00 C ATOM 274 CZ PHE A 18 1.593 1.476 1.243 1.00 0.00 C ATOM 0 H PHE A 18 5.242 5.083 -2.880 1.00 0.00 H new ATOM 0 HA PHE A 18 5.396 2.784 -1.297 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.545 4.659 -1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.918 3.499 -2.844 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.153 3.594 0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.379 1.944 -2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.054 2.374 2.518 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.271 0.726 -0.261 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.107 0.942 2.046 1.00 0.00 H new ATOM 284 N SER A 19 4.614 2.228 -4.462 1.00 0.00 N ATOM 285 CA SER A 19 4.545 1.190 -5.486 1.00 0.00 C ATOM 286 C SER A 19 5.836 0.382 -5.551 1.00 0.00 C ATOM 287 O SER A 19 5.802 -0.841 -5.682 1.00 0.00 O ATOM 288 CB SER A 19 4.255 1.815 -6.852 1.00 0.00 C ATOM 289 OG SER A 19 2.861 1.872 -7.102 1.00 0.00 O ATOM 0 H SER A 19 4.423 3.170 -4.804 1.00 0.00 H new ATOM 0 HA SER A 19 3.735 0.512 -5.217 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.676 2.820 -6.892 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.744 1.233 -7.633 1.00 0.00 H new ATOM 0 HG SER A 19 2.702 2.277 -7.980 1.00 0.00 H new ATOM 295 N VAL A 20 6.973 1.062 -5.445 1.00 0.00 N ATOM 296 CA VAL A 20 8.261 0.379 -5.480 1.00 0.00 C ATOM 297 C VAL A 20 8.392 -0.549 -4.283 1.00 0.00 C ATOM 298 O VAL A 20 8.885 -1.670 -4.396 1.00 0.00 O ATOM 299 CB VAL A 20 9.443 1.367 -5.468 1.00 0.00 C ATOM 300 CG1 VAL A 20 10.727 0.670 -5.893 1.00 0.00 C ATOM 301 CG2 VAL A 20 9.157 2.564 -6.360 1.00 0.00 C ATOM 0 H VAL A 20 7.029 2.075 -5.335 1.00 0.00 H new ATOM 0 HA VAL A 20 8.295 -0.188 -6.410 1.00 0.00 H new ATOM 0 HB VAL A 20 9.573 1.731 -4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.551 1.384 -5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.943 -0.147 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.609 0.273 -6.901 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.006 3.247 -6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.994 2.225 -7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.266 3.080 -6.002 1.00 0.00 H new ATOM 311 N LEU A 21 7.946 -0.061 -3.133 1.00 0.00 N ATOM 312 CA LEU A 21 8.005 -0.828 -1.894 1.00 0.00 C ATOM 313 C LEU A 21 7.086 -2.049 -1.948 1.00 0.00 C ATOM 314 O LEU A 21 7.484 -3.153 -1.574 1.00 0.00 O ATOM 315 CB LEU A 21 7.627 0.064 -0.708 1.00 0.00 C ATOM 316 CG LEU A 21 7.350 -0.671 0.608 1.00 0.00 C ATOM 317 CD1 LEU A 21 8.419 -1.720 0.873 1.00 0.00 C ATOM 318 CD2 LEU A 21 7.273 0.318 1.762 1.00 0.00 C ATOM 0 H LEU A 21 7.537 0.868 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 21 9.027 -1.185 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.433 0.779 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.741 0.639 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 21 6.389 -1.178 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.203 -2.230 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.427 -2.445 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.394 -1.237 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.076 -0.220 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.219 0.853 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.469 1.030 1.578 1.00 0.00 H new ATOM 330 N LEU A 22 5.852 -1.844 -2.400 1.00 0.00 N ATOM 331 CA LEU A 22 4.878 -2.930 -2.484 1.00 0.00 C ATOM 332 C LEU A 22 5.305 -3.992 -3.496 1.00 0.00 C ATOM 333 O LEU A 22 5.158 -5.189 -3.249 1.00 0.00 O ATOM 334 CB LEU A 22 3.498 -2.385 -2.858 1.00 0.00 C ATOM 335 CG LEU A 22 2.962 -1.275 -1.948 1.00 0.00 C ATOM 336 CD1 LEU A 22 1.601 -0.799 -2.434 1.00 0.00 C ATOM 337 CD2 LEU A 22 2.880 -1.753 -0.505 1.00 0.00 C ATOM 0 H LEU A 22 5.503 -0.938 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 22 4.827 -3.398 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.540 -2.006 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.786 -3.211 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 22 3.655 -0.435 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.235 -0.011 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.692 -0.412 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.899 -1.633 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.497 -0.949 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.211 -2.612 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.873 -2.041 -0.160 1.00 0.00 H new ATOM 349 N ASN A 23 5.823 -3.550 -4.637 1.00 0.00 N ATOM 350 CA ASN A 23 6.257 -4.470 -5.685 1.00 0.00 C ATOM 351 C ASN A 23 7.599 -5.114 -5.342 1.00 0.00 C ATOM 352 O ASN A 23 7.893 -6.226 -5.781 1.00 0.00 O ATOM 353 CB ASN A 23 6.358 -3.736 -7.025 1.00 0.00 C ATOM 354 CG ASN A 23 5.812 -4.557 -8.176 1.00 0.00 C ATOM 355 OD1 ASN A 23 5.506 -5.739 -8.022 1.00 0.00 O ATOM 356 ND2 ASN A 23 5.687 -3.933 -9.341 1.00 0.00 N ATOM 0 H ASN A 23 5.953 -2.563 -4.860 1.00 0.00 H new ATOM 0 HA ASN A 23 5.512 -5.262 -5.762 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.812 -2.795 -6.963 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.401 -3.487 -7.222 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.325 -4.435 -10.152 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.953 -2.952 -9.425 1.00 0.00 H new ATOM 363 N GLN A 24 8.414 -4.403 -4.569 1.00 0.00 N ATOM 364 CA GLN A 24 9.733 -4.899 -4.182 1.00 0.00 C ATOM 365 C GLN A 24 9.657 -6.183 -3.353 1.00 0.00 C ATOM 366 O GLN A 24 10.688 -6.770 -3.022 1.00 0.00 O ATOM 367 CB GLN A 24 10.497 -3.824 -3.405 1.00 0.00 C ATOM 368 CG GLN A 24 11.477 -3.036 -4.261 1.00 0.00 C ATOM 369 CD GLN A 24 12.450 -2.220 -3.433 1.00 0.00 C ATOM 370 OE1 GLN A 24 12.111 -0.958 -3.195 1.00 0.00 O flip ATOM 371 NE2 GLN A 24 13.494 -2.717 -3.011 1.00 0.00 N flip ATOM 0 H GLN A 24 8.185 -3.481 -4.197 1.00 0.00 H new ATOM 0 HA GLN A 24 10.265 -5.137 -5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.782 -3.134 -2.957 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.040 -4.296 -2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.035 -3.725 -4.896 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.922 -2.371 -4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.715 -3.691 -3.218 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.138 -2.155 -2.455 1.00 0.00 H new ATOM 380 N GLN A 25 8.447 -6.635 -3.033 1.00 0.00 N ATOM 381 CA GLN A 25 8.285 -7.862 -2.266 1.00 0.00 C ATOM 382 C GLN A 25 8.412 -9.072 -3.184 1.00 0.00 C ATOM 383 O GLN A 25 8.091 -8.995 -4.370 1.00 0.00 O ATOM 384 CB GLN A 25 6.932 -7.875 -1.551 1.00 0.00 C ATOM 385 CG GLN A 25 6.657 -6.612 -0.750 1.00 0.00 C ATOM 386 CD GLN A 25 7.235 -6.671 0.650 1.00 0.00 C ATOM 387 OE1 GLN A 25 6.426 -6.314 1.639 1.00 0.00 O flip ATOM 388 NE2 GLN A 25 8.395 -7.035 0.840 1.00 0.00 N flip ATOM 0 H GLN A 25 7.574 -6.174 -3.291 1.00 0.00 H new ATOM 0 HA GLN A 25 9.071 -7.908 -1.512 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.141 -8.007 -2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.891 -8.735 -0.883 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.076 -5.754 -1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.580 -6.453 -0.688 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.982 -7.301 0.049 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.769 -7.071 1.788 1.00 0.00 H new ATOM 397 N VAL A 26 8.898 -10.183 -2.643 1.00 0.00 N ATOM 398 CA VAL A 26 9.080 -11.397 -3.432 1.00 0.00 C ATOM 399 C VAL A 26 7.764 -12.149 -3.617 1.00 0.00 C ATOM 400 O VAL A 26 7.068 -12.450 -2.648 1.00 0.00 O ATOM 401 CB VAL A 26 10.110 -12.340 -2.781 1.00 0.00 C ATOM 402 CG1 VAL A 26 10.406 -13.522 -3.692 1.00 0.00 C ATOM 403 CG2 VAL A 26 11.389 -11.587 -2.444 1.00 0.00 C ATOM 0 H VAL A 26 9.173 -10.269 -1.664 1.00 0.00 H new ATOM 0 HA VAL A 26 9.449 -11.081 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 26 9.685 -12.723 -1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.135 -14.176 -3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.487 -14.078 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.808 -13.160 -4.638 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.103 -12.270 -1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.818 -11.172 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.163 -10.778 -1.749 1.00 0.00 H new ATOM 413 N PHE A 27 7.436 -12.458 -4.869 1.00 0.00 N ATOM 414 CA PHE A 27 6.210 -13.185 -5.183 1.00 0.00 C ATOM 415 C PHE A 27 6.496 -14.360 -6.115 1.00 0.00 C ATOM 416 O PHE A 27 6.375 -14.233 -7.333 1.00 0.00 O ATOM 417 CB PHE A 27 5.191 -12.261 -5.852 1.00 0.00 C ATOM 418 CG PHE A 27 4.854 -11.027 -5.063 1.00 0.00 C ATOM 419 CD1 PHE A 27 5.653 -9.895 -5.136 1.00 0.00 C ATOM 420 CD2 PHE A 27 3.728 -10.996 -4.257 1.00 0.00 C ATOM 421 CE1 PHE A 27 5.332 -8.758 -4.421 1.00 0.00 C ATOM 422 CE2 PHE A 27 3.402 -9.861 -3.542 1.00 0.00 C ATOM 423 CZ PHE A 27 4.204 -8.742 -3.624 1.00 0.00 C ATOM 0 H PHE A 27 8.002 -12.216 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 27 5.803 -13.560 -4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.577 -11.960 -6.826 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.274 -12.823 -6.033 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.535 -9.903 -5.759 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.098 -11.870 -4.187 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.962 -7.883 -4.485 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.520 -9.849 -2.919 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.950 -7.853 -3.065 1.00 0.00 H new ATOM 433 N ASN A 28 6.872 -15.502 -5.546 1.00 0.00 N ATOM 434 CA ASN A 28 7.166 -16.686 -6.345 1.00 0.00 C ATOM 435 C ASN A 28 6.544 -17.929 -5.720 1.00 0.00 C ATOM 436 O ASN A 28 5.638 -18.538 -6.287 1.00 0.00 O ATOM 437 CB ASN A 28 8.679 -16.870 -6.483 1.00 0.00 C ATOM 438 CG ASN A 28 9.274 -15.980 -7.555 1.00 0.00 C ATOM 439 OD1 ASN A 28 9.705 -14.860 -7.281 1.00 0.00 O ATOM 440 ND2 ASN A 28 9.298 -16.473 -8.788 1.00 0.00 N ATOM 0 H ASN A 28 6.980 -15.632 -4.540 1.00 0.00 H new ATOM 0 HA ASN A 28 6.734 -16.545 -7.335 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.157 -16.653 -5.528 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.896 -17.912 -6.718 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.684 -15.918 -9.552 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.930 -17.407 -8.971 1.00 0.00 H new ATOM 447 N ASP A 29 7.037 -18.293 -4.543 1.00 0.00 N ATOM 448 CA ASP A 29 6.533 -19.458 -3.823 1.00 0.00 C ATOM 449 C ASP A 29 6.117 -19.077 -2.404 1.00 0.00 C ATOM 450 O ASP A 29 6.885 -18.460 -1.670 1.00 0.00 O ATOM 451 CB ASP A 29 7.596 -20.558 -3.781 1.00 0.00 C ATOM 452 CG ASP A 29 8.944 -20.047 -3.310 1.00 0.00 C ATOM 453 OD1 ASP A 29 9.415 -19.025 -3.852 1.00 0.00 O ATOM 454 OD2 ASP A 29 9.531 -20.671 -2.400 1.00 0.00 O ATOM 0 H ASP A 29 7.788 -17.797 -4.064 1.00 0.00 H new ATOM 0 HA ASP A 29 5.657 -19.833 -4.352 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.262 -21.356 -3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.703 -20.993 -4.775 1.00 0.00 H new ATOM 459 N ALA A 30 4.882 -19.407 -2.042 1.00 0.00 N ATOM 460 CA ALA A 30 4.352 -19.054 -0.728 1.00 0.00 C ATOM 461 C ALA A 30 4.967 -19.891 0.390 1.00 0.00 C ATOM 462 O ALA A 30 4.453 -20.948 0.757 1.00 0.00 O ATOM 463 CB ALA A 30 2.839 -19.203 -0.726 1.00 0.00 C ATOM 0 H ALA A 30 4.230 -19.917 -2.638 1.00 0.00 H new ATOM 0 HA ALA A 30 4.620 -18.015 -0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.449 -18.938 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.407 -18.542 -1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.575 -20.235 -0.955 1.00 0.00 H new ATOM 469 N LEU A 31 6.073 -19.386 0.932 1.00 0.00 N ATOM 470 CA LEU A 31 6.776 -20.055 2.021 1.00 0.00 C ATOM 471 C LEU A 31 6.501 -19.365 3.356 1.00 0.00 C ATOM 472 O LEU A 31 6.127 -20.010 4.336 1.00 0.00 O ATOM 473 CB LEU A 31 8.283 -20.098 1.748 1.00 0.00 C ATOM 474 CG LEU A 31 8.893 -18.798 1.211 1.00 0.00 C ATOM 475 CD1 LEU A 31 10.198 -18.484 1.925 1.00 0.00 C ATOM 476 CD2 LEU A 31 9.116 -18.894 -0.290 1.00 0.00 C ATOM 0 H LEU A 31 6.502 -18.511 0.632 1.00 0.00 H new ATOM 0 HA LEU A 31 6.403 -21.078 2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.795 -20.364 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.482 -20.895 1.032 1.00 0.00 H new ATOM 0 HG LEU A 31 8.193 -17.985 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.615 -17.558 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.010 -18.371 2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.905 -19.298 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.549 -17.962 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.796 -19.719 -0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.163 -19.070 -0.789 1.00 0.00 H new ATOM 488 N VAL A 32 6.696 -18.052 3.386 1.00 0.00 N ATOM 489 CA VAL A 32 6.479 -17.267 4.596 1.00 0.00 C ATOM 490 C VAL A 32 4.993 -17.144 4.924 1.00 0.00 C ATOM 491 O VAL A 32 4.138 -17.332 4.059 1.00 0.00 O ATOM 492 CB VAL A 32 7.088 -15.856 4.460 1.00 0.00 C ATOM 493 CG1 VAL A 32 6.417 -15.087 3.332 1.00 0.00 C ATOM 494 CG2 VAL A 32 6.982 -15.094 5.772 1.00 0.00 C ATOM 0 H VAL A 32 7.006 -17.506 2.582 1.00 0.00 H new ATOM 0 HA VAL A 32 6.976 -17.796 5.409 1.00 0.00 H new ATOM 0 HB VAL A 32 8.145 -15.963 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.861 -14.095 3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.557 -15.623 2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.351 -14.992 3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.418 -14.102 5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.933 -14.998 6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.519 -15.635 6.551 1.00 0.00 H new ATOM 504 N SER A 33 4.695 -16.828 6.182 1.00 0.00 N ATOM 505 CA SER A 33 3.314 -16.680 6.630 1.00 0.00 C ATOM 506 C SER A 33 2.647 -15.477 5.969 1.00 0.00 C ATOM 507 O SER A 33 3.317 -14.527 5.564 1.00 0.00 O ATOM 508 CB SER A 33 3.265 -16.531 8.152 1.00 0.00 C ATOM 509 OG SER A 33 1.927 -16.464 8.614 1.00 0.00 O ATOM 0 H SER A 33 5.392 -16.670 6.909 1.00 0.00 H new ATOM 0 HA SER A 33 2.768 -17.577 6.339 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.773 -17.374 8.620 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.802 -15.630 8.450 1.00 0.00 H new ATOM 0 HG SER A 33 1.922 -16.371 9.590 1.00 0.00 H new ATOM 515 N GLU A 34 1.323 -15.528 5.860 1.00 0.00 N ATOM 516 CA GLU A 34 0.560 -14.447 5.244 1.00 0.00 C ATOM 517 C GLU A 34 0.465 -13.239 6.167 1.00 0.00 C ATOM 518 O GLU A 34 0.683 -12.103 5.746 1.00 0.00 O ATOM 519 CB GLU A 34 -0.845 -14.929 4.880 1.00 0.00 C ATOM 520 CG GLU A 34 -1.686 -13.877 4.176 1.00 0.00 C ATOM 521 CD GLU A 34 -2.974 -14.442 3.613 1.00 0.00 C ATOM 522 OE1 GLU A 34 -2.905 -15.229 2.646 1.00 0.00 O ATOM 523 OE2 GLU A 34 -4.054 -14.098 4.140 1.00 0.00 O ATOM 0 H GLU A 34 0.755 -16.308 6.191 1.00 0.00 H new ATOM 0 HA GLU A 34 1.086 -14.146 4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.764 -15.806 4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.358 -15.244 5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.921 -13.076 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.104 -13.433 3.368 1.00 0.00 H new ATOM 530 N GLU A 35 0.130 -13.493 7.424 1.00 0.00 N ATOM 531 CA GLU A 35 -0.006 -12.428 8.412 1.00 0.00 C ATOM 532 C GLU A 35 1.257 -11.576 8.483 1.00 0.00 C ATOM 533 O GLU A 35 1.188 -10.371 8.725 1.00 0.00 O ATOM 534 CB GLU A 35 -0.320 -13.019 9.789 1.00 0.00 C ATOM 535 CG GLU A 35 -1.734 -12.733 10.265 1.00 0.00 C ATOM 536 CD GLU A 35 -2.659 -13.921 10.092 1.00 0.00 C ATOM 537 OE1 GLU A 35 -2.376 -14.984 10.683 1.00 0.00 O ATOM 538 OE2 GLU A 35 -3.666 -13.788 9.365 1.00 0.00 O ATOM 0 H GLU A 35 -0.053 -14.429 7.786 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.831 -11.786 8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.168 -14.098 9.755 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.387 -12.620 10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.709 -12.447 11.317 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.134 -11.882 9.713 1.00 0.00 H new ATOM 545 N ASP A 36 2.411 -12.202 8.271 1.00 0.00 N ATOM 546 CA ASP A 36 3.677 -11.483 8.315 1.00 0.00 C ATOM 547 C ASP A 36 3.718 -10.408 7.239 1.00 0.00 C ATOM 548 O ASP A 36 3.907 -9.228 7.536 1.00 0.00 O ATOM 549 CB ASP A 36 4.850 -12.450 8.145 1.00 0.00 C ATOM 550 CG ASP A 36 5.392 -12.940 9.473 1.00 0.00 C ATOM 551 OD1 ASP A 36 4.736 -13.797 10.102 1.00 0.00 O ATOM 552 OD2 ASP A 36 6.472 -12.468 9.885 1.00 0.00 O ATOM 0 H ASP A 36 2.494 -13.198 8.069 1.00 0.00 H new ATOM 0 HA ASP A 36 3.764 -11.002 9.289 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.529 -13.304 7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.647 -11.956 7.590 1.00 0.00 H new ATOM 557 N MET A 37 3.517 -10.812 5.988 1.00 0.00 N ATOM 558 CA MET A 37 3.510 -9.860 4.887 1.00 0.00 C ATOM 559 C MET A 37 2.406 -8.841 5.107 1.00 0.00 C ATOM 560 O MET A 37 2.600 -7.639 4.916 1.00 0.00 O ATOM 561 CB MET A 37 3.306 -10.578 3.553 1.00 0.00 C ATOM 562 CG MET A 37 3.943 -9.863 2.372 1.00 0.00 C ATOM 563 SD MET A 37 5.533 -10.575 1.905 1.00 0.00 S ATOM 564 CE MET A 37 6.648 -9.253 2.367 1.00 0.00 C ATOM 0 H MET A 37 3.359 -11.782 5.715 1.00 0.00 H new ATOM 0 HA MET A 37 4.473 -9.351 4.855 1.00 0.00 H new ATOM 0 HB2 MET A 37 3.720 -11.584 3.624 1.00 0.00 H new ATOM 0 HB3 MET A 37 2.237 -10.686 3.368 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.266 -9.905 1.519 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.079 -8.810 2.620 1.00 0.00 H new ATOM 0 HE1 MET A 37 7.384 -9.105 1.577 1.00 0.00 H new ATOM 0 HE2 MET A 37 6.081 -8.333 2.512 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.159 -9.515 3.294 1.00 0.00 H new ATOM 574 N VAL A 38 1.237 -9.337 5.503 1.00 0.00 N ATOM 575 CA VAL A 38 0.086 -8.483 5.743 1.00 0.00 C ATOM 576 C VAL A 38 0.409 -7.412 6.779 1.00 0.00 C ATOM 577 O VAL A 38 0.072 -6.242 6.592 1.00 0.00 O ATOM 578 CB VAL A 38 -1.124 -9.310 6.224 1.00 0.00 C ATOM 579 CG1 VAL A 38 -2.345 -8.424 6.424 1.00 0.00 C ATOM 580 CG2 VAL A 38 -1.426 -10.431 5.242 1.00 0.00 C ATOM 0 H VAL A 38 1.065 -10.330 5.664 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.165 -8.001 4.798 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.872 -9.754 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.184 -9.032 6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.123 -7.662 7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.604 -7.943 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.282 -11.005 5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.653 -10.007 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.559 -11.087 5.160 1.00 0.00 H new ATOM 590 N THR A 39 1.071 -7.799 7.869 1.00 0.00 N ATOM 591 CA THR A 39 1.430 -6.841 8.905 1.00 0.00 C ATOM 592 C THR A 39 2.424 -5.825 8.357 1.00 0.00 C ATOM 593 O THR A 39 2.394 -4.650 8.719 1.00 0.00 O ATOM 594 CB THR A 39 2.015 -7.575 10.121 1.00 0.00 C ATOM 595 OG1 THR A 39 1.534 -7.007 11.326 1.00 0.00 O ATOM 596 CG2 THR A 39 3.531 -7.564 10.185 1.00 0.00 C ATOM 0 H THR A 39 1.365 -8.758 8.053 1.00 0.00 H new ATOM 0 HA THR A 39 0.534 -6.307 9.223 1.00 0.00 H new ATOM 0 HB THR A 39 1.690 -8.609 10.003 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.916 -7.488 12.090 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.862 -8.103 11.073 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.936 -8.047 9.296 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.886 -6.534 10.233 1.00 0.00 H new ATOM 604 N VAL A 40 3.300 -6.293 7.475 1.00 0.00 N ATOM 605 CA VAL A 40 4.305 -5.434 6.864 1.00 0.00 C ATOM 606 C VAL A 40 3.649 -4.318 6.057 1.00 0.00 C ATOM 607 O VAL A 40 4.035 -3.155 6.162 1.00 0.00 O ATOM 608 CB VAL A 40 5.248 -6.238 5.948 1.00 0.00 C ATOM 609 CG1 VAL A 40 6.370 -5.355 5.424 1.00 0.00 C ATOM 610 CG2 VAL A 40 5.810 -7.444 6.688 1.00 0.00 C ATOM 0 H VAL A 40 3.334 -7.265 7.167 1.00 0.00 H new ATOM 0 HA VAL A 40 4.889 -4.997 7.674 1.00 0.00 H new ATOM 0 HB VAL A 40 4.674 -6.598 5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.024 -5.942 4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.946 -4.528 4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.945 -4.961 6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.474 -8.000 6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.368 -7.107 7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.991 -8.089 7.007 1.00 0.00 H new ATOM 620 N VAL A 41 2.648 -4.679 5.257 1.00 0.00 N ATOM 621 CA VAL A 41 1.936 -3.702 4.443 1.00 0.00 C ATOM 622 C VAL A 41 1.192 -2.707 5.325 1.00 0.00 C ATOM 623 O VAL A 41 1.194 -1.504 5.061 1.00 0.00 O ATOM 624 CB VAL A 41 0.921 -4.375 3.494 1.00 0.00 C ATOM 625 CG1 VAL A 41 0.248 -3.339 2.606 1.00 0.00 C ATOM 626 CG2 VAL A 41 1.594 -5.445 2.650 1.00 0.00 C ATOM 0 H VAL A 41 2.314 -5.638 5.157 1.00 0.00 H new ATOM 0 HA VAL A 41 2.687 -3.184 3.846 1.00 0.00 H new ATOM 0 HB VAL A 41 0.156 -4.855 4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.463 -3.834 1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.278 -2.614 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.002 -2.826 2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.858 -5.904 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.385 -4.993 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.022 -6.207 3.302 1.00 0.00 H new ATOM 636 N GLU A 42 0.556 -3.215 6.375 1.00 0.00 N ATOM 637 CA GLU A 42 -0.189 -2.368 7.296 1.00 0.00 C ATOM 638 C GLU A 42 0.753 -1.441 8.056 1.00 0.00 C ATOM 639 O GLU A 42 0.469 -0.255 8.227 1.00 0.00 O ATOM 640 CB GLU A 42 -0.992 -3.226 8.277 1.00 0.00 C ATOM 641 CG GLU A 42 -2.461 -2.842 8.356 1.00 0.00 C ATOM 642 CD GLU A 42 -2.840 -2.254 9.700 1.00 0.00 C ATOM 643 OE1 GLU A 42 -2.825 -3.002 10.701 1.00 0.00 O ATOM 644 OE2 GLU A 42 -3.152 -1.046 9.754 1.00 0.00 O ATOM 0 H GLU A 42 0.542 -4.208 6.608 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.881 -1.757 6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.913 -4.272 7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.548 -3.141 9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.686 -2.120 7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.073 -3.723 8.164 1.00 0.00 H new ATOM 651 N ASP A 43 1.876 -1.989 8.505 1.00 0.00 N ATOM 652 CA ASP A 43 2.864 -1.213 9.243 1.00 0.00 C ATOM 653 C ASP A 43 3.391 -0.064 8.391 1.00 0.00 C ATOM 654 O ASP A 43 3.443 1.082 8.838 1.00 0.00 O ATOM 655 CB ASP A 43 4.021 -2.109 9.686 1.00 0.00 C ATOM 656 CG ASP A 43 3.825 -2.657 11.086 1.00 0.00 C ATOM 657 OD1 ASP A 43 3.220 -3.742 11.219 1.00 0.00 O ATOM 658 OD2 ASP A 43 4.274 -2.000 12.049 1.00 0.00 O ATOM 0 H ASP A 43 2.125 -2.969 8.370 1.00 0.00 H new ATOM 0 HA ASP A 43 2.380 -0.797 10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.124 -2.938 8.986 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.951 -1.542 9.648 1.00 0.00 H new ATOM 663 N TRP A 44 3.776 -0.378 7.157 1.00 0.00 N ATOM 664 CA TRP A 44 4.295 0.629 6.240 1.00 0.00 C ATOM 665 C TRP A 44 3.227 1.669 5.925 1.00 0.00 C ATOM 666 O TRP A 44 3.477 2.872 5.988 1.00 0.00 O ATOM 667 CB TRP A 44 4.769 -0.031 4.942 1.00 0.00 C ATOM 668 CG TRP A 44 5.990 -0.881 5.113 1.00 0.00 C ATOM 669 CD1 TRP A 44 6.900 -0.816 6.128 1.00 0.00 C ATOM 670 CD2 TRP A 44 6.437 -1.925 4.239 1.00 0.00 C ATOM 671 NE1 TRP A 44 7.887 -1.753 5.939 1.00 0.00 N ATOM 672 CE2 TRP A 44 7.625 -2.447 4.786 1.00 0.00 C ATOM 673 CE3 TRP A 44 5.947 -2.467 3.049 1.00 0.00 C ATOM 674 CZ2 TRP A 44 8.329 -3.485 4.181 1.00 0.00 C ATOM 675 CZ3 TRP A 44 6.647 -3.498 2.450 1.00 0.00 C ATOM 676 CH2 TRP A 44 7.826 -3.998 3.017 1.00 0.00 C ATOM 0 H TRP A 44 3.738 -1.321 6.771 1.00 0.00 H new ATOM 0 HA TRP A 44 5.139 1.125 6.720 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.963 -0.645 4.541 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.977 0.744 4.205 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.851 -0.128 6.959 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.685 -1.907 6.556 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.038 -2.088 2.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 9.239 -3.871 4.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.278 -3.925 1.529 1.00 0.00 H new ATOM 0 HH2 TRP A 44 8.349 -4.805 2.525 1.00 0.00 H new ATOM 687 N MET A 45 2.036 1.190 5.581 1.00 0.00 N ATOM 688 CA MET A 45 0.921 2.067 5.245 1.00 0.00 C ATOM 689 C MET A 45 0.613 3.035 6.380 1.00 0.00 C ATOM 690 O MET A 45 0.477 4.238 6.162 1.00 0.00 O ATOM 691 CB MET A 45 -0.318 1.231 4.913 1.00 0.00 C ATOM 692 CG MET A 45 -1.564 2.057 4.633 1.00 0.00 C ATOM 693 SD MET A 45 -3.072 1.253 5.208 1.00 0.00 S ATOM 694 CE MET A 45 -3.447 0.199 3.809 1.00 0.00 C ATOM 0 H MET A 45 1.818 0.195 5.528 1.00 0.00 H new ATOM 0 HA MET A 45 1.205 2.656 4.373 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.103 0.611 4.043 1.00 0.00 H new ATOM 0 HB3 MET A 45 -0.521 0.555 5.744 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.468 3.029 5.117 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.640 2.241 3.561 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.357 -0.366 4.012 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.592 0.812 2.920 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.621 -0.492 3.642 1.00 0.00 H new ATOM 704 N ASN A 46 0.503 2.506 7.589 1.00 0.00 N ATOM 705 CA ASN A 46 0.206 3.327 8.757 1.00 0.00 C ATOM 706 C ASN A 46 1.320 4.337 9.011 1.00 0.00 C ATOM 707 O ASN A 46 1.059 5.493 9.340 1.00 0.00 O ATOM 708 CB ASN A 46 0.009 2.445 9.991 1.00 0.00 C ATOM 709 CG ASN A 46 -1.104 2.948 10.890 1.00 0.00 C ATOM 710 OD1 ASN A 46 -1.195 4.141 11.177 1.00 0.00 O ATOM 711 ND2 ASN A 46 -1.959 2.036 11.339 1.00 0.00 N ATOM 0 H ASN A 46 0.615 1.512 7.789 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.716 3.874 8.560 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.216 1.427 9.674 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.939 2.404 10.557 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.729 2.315 11.947 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.846 1.057 11.075 1.00 0.00 H new ATOM 718 N PHE A 47 2.562 3.893 8.855 1.00 0.00 N ATOM 719 CA PHE A 47 3.712 4.762 9.066 1.00 0.00 C ATOM 720 C PHE A 47 3.743 5.880 8.031 1.00 0.00 C ATOM 721 O PHE A 47 4.160 7.001 8.324 1.00 0.00 O ATOM 722 CB PHE A 47 5.010 3.954 9.002 1.00 0.00 C ATOM 723 CG PHE A 47 6.245 4.780 9.225 1.00 0.00 C ATOM 724 CD1 PHE A 47 6.645 5.120 10.506 1.00 0.00 C ATOM 725 CD2 PHE A 47 7.003 5.218 8.150 1.00 0.00 C ATOM 726 CE1 PHE A 47 7.780 5.881 10.714 1.00 0.00 C ATOM 727 CE2 PHE A 47 8.138 5.980 8.351 1.00 0.00 C ATOM 728 CZ PHE A 47 8.528 6.313 9.635 1.00 0.00 C ATOM 0 H PHE A 47 2.797 2.938 8.584 1.00 0.00 H new ATOM 0 HA PHE A 47 3.622 5.209 10.056 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.973 3.162 9.750 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.078 3.469 8.028 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.063 4.787 11.353 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.703 4.961 7.145 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.082 6.138 11.719 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.720 6.315 7.505 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.415 6.909 9.794 1.00 0.00 H new ATOM 738 N TYR A 48 3.297 5.569 6.817 1.00 0.00 N ATOM 739 CA TYR A 48 3.276 6.550 5.740 1.00 0.00 C ATOM 740 C TYR A 48 2.193 7.598 5.978 1.00 0.00 C ATOM 741 O TYR A 48 2.438 8.795 5.837 1.00 0.00 O ATOM 742 CB TYR A 48 3.055 5.858 4.394 1.00 0.00 C ATOM 743 CG TYR A 48 4.303 5.777 3.546 1.00 0.00 C ATOM 744 CD1 TYR A 48 5.341 4.917 3.883 1.00 0.00 C ATOM 745 CD2 TYR A 48 4.445 6.562 2.408 1.00 0.00 C ATOM 746 CE1 TYR A 48 6.484 4.842 3.112 1.00 0.00 C ATOM 747 CE2 TYR A 48 5.585 6.492 1.630 1.00 0.00 C ATOM 748 CZ TYR A 48 6.601 5.631 1.986 1.00 0.00 C ATOM 749 OH TYR A 48 7.739 5.557 1.215 1.00 0.00 O ATOM 0 H TYR A 48 2.946 4.647 6.556 1.00 0.00 H new ATOM 0 HA TYR A 48 4.242 7.055 5.723 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.679 4.850 4.570 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.284 6.394 3.841 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.252 4.297 4.763 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.651 7.238 2.127 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.282 4.169 3.389 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.679 7.108 0.748 1.00 0.00 H new ATOM 0 HH TYR A 48 8.116 4.654 1.274 1.00 0.00 H new ATOM 759 N ILE A 49 0.996 7.144 6.340 1.00 0.00 N ATOM 760 CA ILE A 49 -0.114 8.055 6.596 1.00 0.00 C ATOM 761 C ILE A 49 0.218 9.007 7.740 1.00 0.00 C ATOM 762 O ILE A 49 0.076 10.223 7.611 1.00 0.00 O ATOM 763 CB ILE A 49 -1.411 7.286 6.928 1.00 0.00 C ATOM 764 CG1 ILE A 49 -1.803 6.379 5.760 1.00 0.00 C ATOM 765 CG2 ILE A 49 -2.544 8.253 7.251 1.00 0.00 C ATOM 766 CD1 ILE A 49 -2.191 7.137 4.509 1.00 0.00 C ATOM 0 H ILE A 49 0.771 6.157 6.462 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.274 8.630 5.684 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.228 6.667 7.807 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.969 5.716 5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.637 5.747 6.065 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.448 7.690 7.482 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.267 8.864 8.111 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.728 8.898 6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.457 6.430 3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.045 7.779 4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.351 7.748 4.179 1.00 0.00 H new ATOM 778 N ASN A 50 0.660 8.448 8.863 1.00 0.00 N ATOM 779 CA ASN A 50 1.011 9.248 10.029 1.00 0.00 C ATOM 780 C ASN A 50 2.148 10.213 9.708 1.00 0.00 C ATOM 781 O ASN A 50 2.123 11.373 10.119 1.00 0.00 O ATOM 782 CB ASN A 50 1.412 8.342 11.194 1.00 0.00 C ATOM 783 CG ASN A 50 0.956 8.885 12.534 1.00 0.00 C ATOM 784 OD1 ASN A 50 -0.178 8.657 12.957 1.00 0.00 O ATOM 785 ND2 ASN A 50 1.840 9.609 13.211 1.00 0.00 N ATOM 0 H ASN A 50 0.783 7.443 8.989 1.00 0.00 H new ATOM 0 HA ASN A 50 0.134 9.830 10.314 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.985 7.351 11.043 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.496 8.225 11.203 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.590 10.001 14.119 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.769 9.773 12.823 1.00 0.00 H new ATOM 792 N TYR A 51 3.142 9.728 8.972 1.00 0.00 N ATOM 793 CA TYR A 51 4.287 10.552 8.600 1.00 0.00 C ATOM 794 C TYR A 51 3.869 11.664 7.643 1.00 0.00 C ATOM 795 O TYR A 51 4.276 12.816 7.798 1.00 0.00 O ATOM 796 CB TYR A 51 5.375 9.695 7.952 1.00 0.00 C ATOM 797 CG TYR A 51 6.724 10.375 7.894 1.00 0.00 C ATOM 798 CD1 TYR A 51 7.077 11.166 6.809 1.00 0.00 C ATOM 799 CD2 TYR A 51 7.642 10.227 8.926 1.00 0.00 C ATOM 800 CE1 TYR A 51 8.309 11.791 6.753 1.00 0.00 C ATOM 801 CE2 TYR A 51 8.875 10.850 8.878 1.00 0.00 C ATOM 802 CZ TYR A 51 9.203 11.631 7.790 1.00 0.00 C ATOM 803 OH TYR A 51 10.430 12.252 7.739 1.00 0.00 O ATOM 0 H TYR A 51 3.178 8.771 8.622 1.00 0.00 H new ATOM 0 HA TYR A 51 4.684 11.004 9.509 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.471 8.762 8.508 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.065 9.433 6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.378 11.295 5.996 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.388 9.616 9.779 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.570 12.401 5.901 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.578 10.726 9.689 1.00 0.00 H new ATOM 0 HH TYR A 51 10.939 12.037 8.548 1.00 0.00 H new ATOM 813 N TYR A 52 3.059 11.310 6.652 1.00 0.00 N ATOM 814 CA TYR A 52 2.588 12.275 5.667 1.00 0.00 C ATOM 815 C TYR A 52 1.753 13.364 6.329 1.00 0.00 C ATOM 816 O TYR A 52 1.761 14.515 5.892 1.00 0.00 O ATOM 817 CB TYR A 52 1.776 11.574 4.578 1.00 0.00 C ATOM 818 CG TYR A 52 2.617 11.113 3.408 1.00 0.00 C ATOM 819 CD1 TYR A 52 3.764 10.358 3.610 1.00 0.00 C ATOM 820 CD2 TYR A 52 2.264 11.437 2.105 1.00 0.00 C ATOM 821 CE1 TYR A 52 4.538 9.938 2.545 1.00 0.00 C ATOM 822 CE2 TYR A 52 3.033 11.020 1.034 1.00 0.00 C ATOM 823 CZ TYR A 52 4.168 10.271 1.260 1.00 0.00 C ATOM 824 OH TYR A 52 4.935 9.854 0.197 1.00 0.00 O ATOM 0 H TYR A 52 2.715 10.360 6.510 1.00 0.00 H new ATOM 0 HA TYR A 52 3.459 12.743 5.208 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.266 10.714 5.012 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.004 12.253 4.216 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.056 10.095 4.616 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.375 12.024 1.925 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.428 9.352 2.719 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.746 11.280 0.026 1.00 0.00 H new ATOM 0 HH TYR A 52 5.550 9.151 0.493 1.00 0.00 H new ATOM 834 N ARG A 53 1.040 12.999 7.390 1.00 0.00 N ATOM 835 CA ARG A 53 0.208 13.956 8.113 1.00 0.00 C ATOM 836 C ARG A 53 1.037 15.161 8.549 1.00 0.00 C ATOM 837 O ARG A 53 0.545 16.288 8.583 1.00 0.00 O ATOM 838 CB ARG A 53 -0.437 13.291 9.331 1.00 0.00 C ATOM 839 CG ARG A 53 -1.775 12.637 9.028 1.00 0.00 C ATOM 840 CD ARG A 53 -2.569 12.369 10.298 1.00 0.00 C ATOM 841 NE ARG A 53 -2.652 10.942 10.598 1.00 0.00 N ATOM 842 CZ ARG A 53 -3.575 10.404 11.393 1.00 0.00 C ATOM 843 NH1 ARG A 53 -4.494 11.169 11.970 1.00 0.00 N ATOM 844 NH2 ARG A 53 -3.578 9.096 11.612 1.00 0.00 N ATOM 0 H ARG A 53 1.021 12.052 7.767 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.581 14.299 7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.245 12.538 9.727 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.576 14.039 10.112 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.354 13.281 8.366 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.610 11.700 8.497 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.102 12.889 11.134 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.574 12.776 10.190 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.963 10.321 10.174 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.496 12.176 11.806 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.198 10.750 12.578 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.874 8.504 11.172 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.284 8.682 12.221 1.00 0.00 H new ATOM 858 N GLN A 54 2.299 14.911 8.884 1.00 0.00 N ATOM 859 CA GLN A 54 3.203 15.971 9.317 1.00 0.00 C ATOM 860 C GLN A 54 3.830 16.686 8.119 1.00 0.00 C ATOM 861 O GLN A 54 4.413 17.760 8.264 1.00 0.00 O ATOM 862 CB GLN A 54 4.300 15.396 10.217 1.00 0.00 C ATOM 863 CG GLN A 54 4.247 15.914 11.645 1.00 0.00 C ATOM 864 CD GLN A 54 5.626 16.119 12.241 1.00 0.00 C ATOM 865 OE1 GLN A 54 5.922 15.631 13.332 1.00 0.00 O ATOM 866 NE2 GLN A 54 6.478 16.844 11.526 1.00 0.00 N ATOM 0 H GLN A 54 2.719 13.982 8.864 1.00 0.00 H new ATOM 0 HA GLN A 54 2.621 16.699 9.882 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.216 14.309 10.230 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.273 15.635 9.788 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.702 16.858 11.665 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.689 15.210 12.263 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.190 17.229 10.627 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.421 17.016 11.876 1.00 0.00 H new ATOM 875 N GLN A 55 3.705 16.089 6.933 1.00 0.00 N ATOM 876 CA GLN A 55 4.257 16.675 5.715 1.00 0.00 C ATOM 877 C GLN A 55 3.229 17.570 5.023 1.00 0.00 C ATOM 878 O GLN A 55 3.307 17.802 3.816 1.00 0.00 O ATOM 879 CB GLN A 55 4.712 15.571 4.758 1.00 0.00 C ATOM 880 CG GLN A 55 6.096 15.025 5.068 1.00 0.00 C ATOM 881 CD GLN A 55 7.203 15.856 4.448 1.00 0.00 C ATOM 882 OE1 GLN A 55 7.918 16.577 5.143 1.00 0.00 O ATOM 883 NE2 GLN A 55 7.350 15.756 3.132 1.00 0.00 N ATOM 0 H GLN A 55 3.226 15.200 6.792 1.00 0.00 H new ATOM 0 HA GLN A 55 5.115 17.287 5.993 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.992 14.753 4.793 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.704 15.959 3.740 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.235 14.990 6.149 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.168 14.000 4.704 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.734 15.145 2.595 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.079 16.290 2.658 1.00 0.00 H new ATOM 892 N VAL A 56 2.270 18.072 5.795 1.00 0.00 N ATOM 893 CA VAL A 56 1.231 18.941 5.255 1.00 0.00 C ATOM 894 C VAL A 56 1.453 20.390 5.686 1.00 0.00 C ATOM 895 O VAL A 56 2.468 20.705 6.303 1.00 0.00 O ATOM 896 CB VAL A 56 -0.189 18.493 5.681 1.00 0.00 C ATOM 897 CG1 VAL A 56 -1.209 18.891 4.630 1.00 0.00 C ATOM 898 CG2 VAL A 56 -0.255 16.992 5.921 1.00 0.00 C ATOM 0 H VAL A 56 2.191 17.892 6.796 1.00 0.00 H new ATOM 0 HA VAL A 56 1.300 18.867 4.170 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.422 18.997 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.201 18.568 4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.201 19.974 4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.958 18.417 3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.267 16.715 6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.011 16.465 5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.443 16.719 6.712 1.00 0.00 H new ATOM 908 N THR A 57 0.481 21.249 5.348 1.00 0.00 N ATOM 909 CA THR A 57 0.493 22.687 5.664 1.00 0.00 C ATOM 910 C THR A 57 0.384 23.508 4.382 1.00 0.00 C ATOM 911 O THR A 57 1.370 23.717 3.676 1.00 0.00 O ATOM 912 CB THR A 57 1.735 23.119 6.465 1.00 0.00 C ATOM 913 OG1 THR A 57 1.550 24.415 7.003 1.00 0.00 O ATOM 914 CG2 THR A 57 3.015 23.147 5.652 1.00 0.00 C ATOM 0 H THR A 57 -0.353 20.959 4.837 1.00 0.00 H new ATOM 0 HA THR A 57 -0.372 22.875 6.300 1.00 0.00 H new ATOM 0 HB THR A 57 1.843 22.365 7.245 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.347 24.675 7.511 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.843 23.461 6.288 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.217 22.151 5.258 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.906 23.849 4.825 1.00 0.00 H new ATOM 922 N GLY A 58 -0.825 23.975 4.088 1.00 0.00 N ATOM 923 CA GLY A 58 -1.050 24.777 2.894 1.00 0.00 C ATOM 924 C GLY A 58 -2.513 25.180 2.722 1.00 0.00 C ATOM 925 O GLY A 58 -2.946 25.479 1.611 1.00 0.00 O ATOM 0 H GLY A 58 -1.657 23.813 4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.433 25.675 2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.727 24.215 2.018 1.00 0.00 H new ATOM 929 N GLU A 59 -3.259 25.182 3.838 1.00 0.00 N ATOM 930 CA GLU A 59 -4.680 25.541 3.889 1.00 0.00 C ATOM 931 C GLU A 59 -5.547 24.292 4.049 1.00 0.00 C ATOM 932 O GLU A 59 -5.197 23.218 3.561 1.00 0.00 O ATOM 933 CB GLU A 59 -5.120 26.373 2.676 1.00 0.00 C ATOM 934 CG GLU A 59 -5.620 25.567 1.494 1.00 0.00 C ATOM 935 CD GLU A 59 -5.258 26.195 0.163 1.00 0.00 C ATOM 936 OE1 GLU A 59 -5.941 27.158 -0.245 1.00 0.00 O ATOM 937 OE2 GLU A 59 -4.291 25.723 -0.473 1.00 0.00 O ATOM 0 H GLU A 59 -2.879 24.928 4.750 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.820 26.174 4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.909 27.057 2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.279 26.985 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.202 24.561 1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.703 25.466 1.561 1.00 0.00 H new ATOM 944 N PRO A 60 -6.687 24.416 4.753 1.00 0.00 N ATOM 945 CA PRO A 60 -7.600 23.298 4.995 1.00 0.00 C ATOM 946 C PRO A 60 -7.847 22.475 3.739 1.00 0.00 C ATOM 947 O PRO A 60 -7.697 21.254 3.749 1.00 0.00 O ATOM 948 CB PRO A 60 -8.899 23.975 5.467 1.00 0.00 C ATOM 949 CG PRO A 60 -8.665 25.449 5.340 1.00 0.00 C ATOM 950 CD PRO A 60 -7.178 25.645 5.377 1.00 0.00 C ATOM 0 HA PRO A 60 -7.194 22.594 5.721 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.747 23.660 4.858 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.129 23.704 6.497 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.084 25.830 4.409 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.149 25.991 6.153 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.871 26.533 4.824 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.808 25.760 6.396 1.00 0.00 H new ATOM 958 N GLN A 61 -8.208 23.148 2.655 1.00 0.00 N ATOM 959 CA GLN A 61 -8.450 22.461 1.398 1.00 0.00 C ATOM 960 C GLN A 61 -7.166 21.787 0.922 1.00 0.00 C ATOM 961 O GLN A 61 -7.202 20.744 0.271 1.00 0.00 O ATOM 962 CB GLN A 61 -8.985 23.434 0.337 1.00 0.00 C ATOM 963 CG GLN A 61 -7.924 24.333 -0.286 1.00 0.00 C ATOM 964 CD GLN A 61 -7.824 24.162 -1.790 1.00 0.00 C ATOM 965 OE1 GLN A 61 -7.202 23.218 -2.279 1.00 0.00 O ATOM 966 NE2 GLN A 61 -8.435 25.077 -2.533 1.00 0.00 N ATOM 0 H GLN A 61 -8.338 24.159 2.622 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.209 21.695 1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.467 22.860 -0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.753 24.060 0.790 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.155 25.373 -0.057 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.957 24.114 0.166 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.939 25.843 -2.086 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.400 25.014 -3.550 1.00 0.00 H new ATOM 975 N GLU A 62 -6.029 22.383 1.276 1.00 0.00 N ATOM 976 CA GLU A 62 -4.733 21.836 0.899 1.00 0.00 C ATOM 977 C GLU A 62 -4.419 20.603 1.718 1.00 0.00 C ATOM 978 O GLU A 62 -4.056 19.559 1.176 1.00 0.00 O ATOM 979 CB GLU A 62 -3.617 22.862 1.076 1.00 0.00 C ATOM 980 CG GLU A 62 -2.283 22.393 0.520 1.00 0.00 C ATOM 981 CD GLU A 62 -2.056 22.852 -0.906 1.00 0.00 C ATOM 982 OE1 GLU A 62 -2.720 23.820 -1.332 1.00 0.00 O ATOM 983 OE2 GLU A 62 -1.215 22.242 -1.600 1.00 0.00 O ATOM 0 H GLU A 62 -5.982 23.243 1.822 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.789 21.568 -0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.903 23.791 0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.503 23.087 2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.478 22.768 1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.239 21.305 0.560 1.00 0.00 H new ATOM 990 N ARG A 63 -4.554 20.731 3.028 1.00 0.00 N ATOM 991 CA ARG A 63 -4.271 19.610 3.916 1.00 0.00 C ATOM 992 C ARG A 63 -5.256 18.468 3.683 1.00 0.00 C ATOM 993 O ARG A 63 -4.856 17.333 3.424 1.00 0.00 O ATOM 994 CB ARG A 63 -4.323 20.062 5.378 1.00 0.00 C ATOM 995 CG ARG A 63 -3.907 18.984 6.366 1.00 0.00 C ATOM 996 CD ARG A 63 -3.117 19.567 7.526 1.00 0.00 C ATOM 997 NE ARG A 63 -3.785 20.726 8.117 1.00 0.00 N ATOM 998 CZ ARG A 63 -3.191 21.579 8.949 1.00 0.00 C ATOM 999 NH1 ARG A 63 -1.918 21.413 9.284 1.00 0.00 N ATOM 1000 NH2 ARG A 63 -3.871 22.604 9.446 1.00 0.00 N ATOM 0 H ARG A 63 -4.853 21.586 3.497 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.267 19.247 3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.674 20.928 5.505 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.337 20.386 5.613 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.793 18.476 6.747 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.304 18.233 5.855 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.976 18.802 8.289 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.125 19.858 7.179 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.763 20.890 7.878 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.389 20.628 8.904 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.469 22.070 9.922 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.849 22.739 9.191 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.416 23.257 10.083 1.00 0.00 H new ATOM 1014 N ASP A 64 -6.539 18.774 3.793 1.00 0.00 N ATOM 1015 CA ASP A 64 -7.591 17.776 3.610 1.00 0.00 C ATOM 1016 C ASP A 64 -7.520 17.118 2.232 1.00 0.00 C ATOM 1017 O ASP A 64 -7.680 15.905 2.107 1.00 0.00 O ATOM 1018 CB ASP A 64 -8.967 18.417 3.805 1.00 0.00 C ATOM 1019 CG ASP A 64 -9.939 17.494 4.513 1.00 0.00 C ATOM 1020 OD1 ASP A 64 -9.780 17.286 5.734 1.00 0.00 O ATOM 1021 OD2 ASP A 64 -10.860 16.979 3.845 1.00 0.00 O ATOM 0 H ASP A 64 -6.882 19.710 4.009 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.437 17.000 4.360 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.858 19.336 4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.376 18.695 2.834 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.295 17.924 1.201 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.221 17.401 -0.162 1.00 0.00 C ATOM 1028 C LYS A 65 -5.982 16.534 -0.357 1.00 0.00 C ATOM 1029 O LYS A 65 -6.016 15.543 -1.086 1.00 0.00 O ATOM 1030 CB LYS A 65 -7.236 18.538 -1.183 1.00 0.00 C ATOM 1031 CG LYS A 65 -7.317 18.059 -2.625 1.00 0.00 C ATOM 1032 CD LYS A 65 -8.333 18.860 -3.425 1.00 0.00 C ATOM 1033 CE LYS A 65 -7.657 19.898 -4.305 1.00 0.00 C ATOM 1034 NZ LYS A 65 -8.643 20.683 -5.097 1.00 0.00 N ATOM 0 H LYS A 65 -7.162 18.932 1.279 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.101 16.777 -0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.085 19.189 -0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.335 19.139 -1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.336 18.144 -3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.589 17.004 -2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.923 18.185 -4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.025 19.355 -2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.070 20.574 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.961 19.402 -4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.141 21.380 -5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.186 20.041 -5.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.292 21.177 -4.452 1.00 0.00 H new ATOM 1048 N ALA A 66 -4.890 16.901 0.300 1.00 0.00 N ATOM 1049 CA ALA A 66 -3.655 16.139 0.194 1.00 0.00 C ATOM 1050 C ALA A 66 -3.753 14.854 1.005 1.00 0.00 C ATOM 1051 O ALA A 66 -3.316 13.787 0.567 1.00 0.00 O ATOM 1052 CB ALA A 66 -2.471 16.973 0.662 1.00 0.00 C ATOM 0 H ALA A 66 -4.835 17.718 0.909 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.500 15.878 -0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.556 16.387 0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.389 17.867 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.619 17.263 1.702 1.00 0.00 H new ATOM 1058 N LEU A 67 -4.342 14.967 2.187 1.00 0.00 N ATOM 1059 CA LEU A 67 -4.515 13.825 3.072 1.00 0.00 C ATOM 1060 C LEU A 67 -5.553 12.859 2.513 1.00 0.00 C ATOM 1061 O LEU A 67 -5.387 11.641 2.595 1.00 0.00 O ATOM 1062 CB LEU A 67 -4.927 14.292 4.471 1.00 0.00 C ATOM 1063 CG LEU A 67 -3.778 14.436 5.470 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -4.268 15.072 6.761 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -3.144 13.081 5.749 1.00 0.00 C ATOM 0 H LEU A 67 -4.710 15.844 2.556 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.561 13.302 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.433 15.253 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.652 13.585 4.874 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.022 15.088 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.436 15.166 7.459 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.676 16.060 6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.044 14.447 7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.328 13.201 6.462 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.893 12.407 6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.756 12.663 4.820 1.00 0.00 H new ATOM 1077 N GLN A 68 -6.624 13.401 1.935 1.00 0.00 N ATOM 1078 CA GLN A 68 -7.669 12.565 1.364 1.00 0.00 C ATOM 1079 C GLN A 68 -7.140 11.816 0.149 1.00 0.00 C ATOM 1080 O GLN A 68 -7.325 10.602 0.024 1.00 0.00 O ATOM 1081 CB GLN A 68 -8.902 13.403 0.998 1.00 0.00 C ATOM 1082 CG GLN A 68 -8.693 14.343 -0.177 1.00 0.00 C ATOM 1083 CD GLN A 68 -8.907 13.663 -1.515 1.00 0.00 C ATOM 1084 OE1 GLN A 68 -9.706 12.734 -1.632 1.00 0.00 O ATOM 1085 NE2 GLN A 68 -8.193 14.125 -2.535 1.00 0.00 N ATOM 0 H GLN A 68 -6.787 14.405 1.852 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.974 11.834 2.113 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.728 12.731 0.768 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.200 13.988 1.868 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.378 15.186 -0.089 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.682 14.748 -0.138 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.542 14.897 -2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.296 13.708 -3.460 1.00 0.00 H new ATOM 1094 N GLU A 69 -6.458 12.538 -0.733 1.00 0.00 N ATOM 1095 CA GLU A 69 -5.884 11.928 -1.925 1.00 0.00 C ATOM 1096 C GLU A 69 -4.862 10.872 -1.526 1.00 0.00 C ATOM 1097 O GLU A 69 -4.721 9.847 -2.192 1.00 0.00 O ATOM 1098 CB GLU A 69 -5.230 12.988 -2.814 1.00 0.00 C ATOM 1099 CG GLU A 69 -5.768 13.005 -4.236 1.00 0.00 C ATOM 1100 CD GLU A 69 -4.980 12.105 -5.168 1.00 0.00 C ATOM 1101 OE1 GLU A 69 -5.252 10.887 -5.188 1.00 0.00 O ATOM 1102 OE2 GLU A 69 -4.090 12.621 -5.877 1.00 0.00 O ATOM 0 H GLU A 69 -6.290 13.540 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.685 11.453 -2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.381 13.970 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.155 12.813 -2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.812 12.691 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.745 14.026 -4.617 1.00 0.00 H new ATOM 1109 N LEU A 70 -4.155 11.129 -0.429 1.00 0.00 N ATOM 1110 CA LEU A 70 -3.151 10.194 0.058 1.00 0.00 C ATOM 1111 C LEU A 70 -3.798 8.865 0.436 1.00 0.00 C ATOM 1112 O LEU A 70 -3.360 7.803 -0.006 1.00 0.00 O ATOM 1113 CB LEU A 70 -2.413 10.782 1.262 1.00 0.00 C ATOM 1114 CG LEU A 70 -1.011 10.218 1.500 1.00 0.00 C ATOM 1115 CD1 LEU A 70 -1.064 8.707 1.658 1.00 0.00 C ATOM 1116 CD2 LEU A 70 -0.080 10.603 0.359 1.00 0.00 C ATOM 0 H LEU A 70 -4.259 11.972 0.135 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.431 10.017 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.336 11.861 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.013 10.612 2.156 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.620 10.647 2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.058 8.323 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.697 8.452 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.476 8.261 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.913 10.193 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.468 10.203 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.017 11.689 0.291 1.00 0.00 H new ATOM 1128 N ARG A 71 -4.840 8.919 1.260 1.00 0.00 N ATOM 1129 CA ARG A 71 -5.527 7.706 1.689 1.00 0.00 C ATOM 1130 C ARG A 71 -6.036 6.923 0.483 1.00 0.00 C ATOM 1131 O ARG A 71 -5.946 5.696 0.447 1.00 0.00 O ATOM 1132 CB ARG A 71 -6.694 8.057 2.614 1.00 0.00 C ATOM 1133 CG ARG A 71 -7.146 6.900 3.489 1.00 0.00 C ATOM 1134 CD ARG A 71 -6.429 6.904 4.829 1.00 0.00 C ATOM 1135 NE ARG A 71 -6.974 5.904 5.745 1.00 0.00 N ATOM 1136 CZ ARG A 71 -6.328 5.450 6.817 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -5.115 5.904 7.110 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -6.895 4.541 7.598 1.00 0.00 N ATOM 0 H ARG A 71 -5.225 9.783 1.642 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.817 7.084 2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.403 8.892 3.252 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.536 8.396 2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.222 6.963 3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.955 5.958 2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.367 6.712 4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.511 7.892 5.281 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.904 5.532 5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.674 6.604 6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.624 5.553 7.932 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.827 4.189 7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.400 4.194 8.419 1.00 0.00 H new ATOM 1152 N GLN A 72 -6.565 7.639 -0.502 1.00 0.00 N ATOM 1153 CA GLN A 72 -7.079 6.999 -1.709 1.00 0.00 C ATOM 1154 C GLN A 72 -5.956 6.312 -2.480 1.00 0.00 C ATOM 1155 O GLN A 72 -6.077 5.150 -2.867 1.00 0.00 O ATOM 1156 CB GLN A 72 -7.778 8.017 -2.615 1.00 0.00 C ATOM 1157 CG GLN A 72 -8.543 9.090 -1.860 1.00 0.00 C ATOM 1158 CD GLN A 72 -9.977 9.231 -2.334 1.00 0.00 C ATOM 1159 OE1 GLN A 72 -10.772 8.298 -2.226 1.00 0.00 O ATOM 1160 NE2 GLN A 72 -10.312 10.402 -2.862 1.00 0.00 N ATOM 0 H GLN A 72 -6.650 8.655 -0.491 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.806 6.248 -1.398 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.033 8.495 -3.250 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.467 7.489 -3.274 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.538 8.853 -0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.031 10.045 -1.976 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.619 11.147 -2.931 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.262 10.557 -3.198 1.00 0.00 H new ATOM 1169 N GLU A 73 -4.867 7.040 -2.706 1.00 0.00 N ATOM 1170 CA GLU A 73 -3.727 6.500 -3.441 1.00 0.00 C ATOM 1171 C GLU A 73 -3.131 5.281 -2.735 1.00 0.00 C ATOM 1172 O GLU A 73 -2.542 4.410 -3.376 1.00 0.00 O ATOM 1173 CB GLU A 73 -2.652 7.575 -3.639 1.00 0.00 C ATOM 1174 CG GLU A 73 -1.872 7.914 -2.380 1.00 0.00 C ATOM 1175 CD GLU A 73 -0.374 7.767 -2.556 1.00 0.00 C ATOM 1176 OE1 GLU A 73 0.111 6.616 -2.589 1.00 0.00 O ATOM 1177 OE2 GLU A 73 0.317 8.803 -2.660 1.00 0.00 O ATOM 0 H GLU A 73 -4.749 8.003 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.089 6.180 -4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.954 7.238 -4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.126 8.482 -4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.099 8.938 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.203 7.266 -1.568 1.00 0.00 H new ATOM 1184 N LEU A 74 -3.292 5.218 -1.418 1.00 0.00 N ATOM 1185 CA LEU A 74 -2.767 4.096 -0.647 1.00 0.00 C ATOM 1186 C LEU A 74 -3.664 2.875 -0.776 1.00 0.00 C ATOM 1187 O LEU A 74 -3.178 1.778 -1.022 1.00 0.00 O ATOM 1188 CB LEU A 74 -2.597 4.485 0.827 1.00 0.00 C ATOM 1189 CG LEU A 74 -1.353 5.328 1.169 1.00 0.00 C ATOM 1190 CD1 LEU A 74 -0.515 4.637 2.233 1.00 0.00 C ATOM 1191 CD2 LEU A 74 -0.501 5.604 -0.065 1.00 0.00 C ATOM 0 H LEU A 74 -3.778 5.924 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.788 3.840 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.482 5.038 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.566 3.572 1.421 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.706 6.284 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.359 5.247 2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.111 4.504 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.191 3.663 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.366 6.201 0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.167 4.660 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.092 6.149 -0.801 1.00 0.00 H new ATOM 1203 N ASN A 75 -4.967 3.053 -0.604 1.00 0.00 N ATOM 1204 CA ASN A 75 -5.889 1.929 -0.713 1.00 0.00 C ATOM 1205 C ASN A 75 -5.833 1.324 -2.111 1.00 0.00 C ATOM 1206 O ASN A 75 -5.943 0.110 -2.278 1.00 0.00 O ATOM 1207 CB ASN A 75 -7.316 2.366 -0.375 1.00 0.00 C ATOM 1208 CG ASN A 75 -7.919 1.554 0.754 1.00 0.00 C ATOM 1209 OD1 ASN A 75 -7.203 0.928 1.535 1.00 0.00 O ATOM 1210 ND2 ASN A 75 -9.243 1.560 0.844 1.00 0.00 N ATOM 0 H ASN A 75 -5.405 3.949 -0.392 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.585 1.167 0.005 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.314 3.421 -0.099 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.942 2.270 -1.262 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.706 1.031 1.583 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.797 2.094 0.174 1.00 0.00 H new ATOM 1217 N THR A 76 -5.641 2.177 -3.109 1.00 0.00 N ATOM 1218 CA THR A 76 -5.548 1.709 -4.484 1.00 0.00 C ATOM 1219 C THR A 76 -4.244 0.942 -4.676 1.00 0.00 C ATOM 1220 O THR A 76 -4.249 -0.186 -5.161 1.00 0.00 O ATOM 1221 CB THR A 76 -5.647 2.869 -5.479 1.00 0.00 C ATOM 1222 OG1 THR A 76 -5.535 2.396 -6.811 1.00 0.00 O ATOM 1223 CG2 THR A 76 -4.588 3.928 -5.284 1.00 0.00 C ATOM 0 H THR A 76 -5.548 3.186 -2.994 1.00 0.00 H new ATOM 0 HA THR A 76 -6.388 1.043 -4.680 1.00 0.00 H new ATOM 0 HB THR A 76 -6.622 3.319 -5.294 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.602 3.151 -7.433 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.722 4.717 -6.024 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.676 4.351 -4.283 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.601 3.482 -5.404 1.00 0.00 H new ATOM 1231 N LEU A 77 -3.129 1.563 -4.298 1.00 0.00 N ATOM 1232 CA LEU A 77 -1.817 0.936 -4.432 1.00 0.00 C ATOM 1233 C LEU A 77 -1.721 -0.353 -3.612 1.00 0.00 C ATOM 1234 O LEU A 77 -1.160 -1.348 -4.072 1.00 0.00 O ATOM 1235 CB LEU A 77 -0.720 1.911 -3.996 1.00 0.00 C ATOM 1236 CG LEU A 77 -0.483 3.094 -4.939 1.00 0.00 C ATOM 1237 CD1 LEU A 77 0.479 4.091 -4.313 1.00 0.00 C ATOM 1238 CD2 LEU A 77 0.049 2.608 -6.279 1.00 0.00 C ATOM 0 H LEU A 77 -3.108 2.500 -3.896 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.680 0.678 -5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.973 2.299 -3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.214 1.358 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.436 3.596 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.635 4.925 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.060 4.463 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.432 3.601 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.212 3.462 -6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.991 2.082 -6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.675 1.932 -6.734 1.00 0.00 H new ATOM 1250 N ALA A 78 -2.267 -0.333 -2.395 1.00 0.00 N ATOM 1251 CA ALA A 78 -2.231 -1.508 -1.521 1.00 0.00 C ATOM 1252 C ALA A 78 -3.295 -2.538 -1.912 1.00 0.00 C ATOM 1253 O ALA A 78 -3.254 -3.688 -1.472 1.00 0.00 O ATOM 1254 CB ALA A 78 -2.415 -1.088 -0.070 1.00 0.00 C ATOM 0 H ALA A 78 -2.737 0.478 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.255 -1.979 -1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.387 -1.970 0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.614 -0.406 0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.376 -0.587 0.045 1.00 0.00 H new ATOM 1260 N ASN A 79 -4.264 -2.099 -2.701 1.00 0.00 N ATOM 1261 CA ASN A 79 -5.370 -2.959 -3.113 1.00 0.00 C ATOM 1262 C ASN A 79 -4.887 -4.206 -3.863 1.00 0.00 C ATOM 1263 O ASN A 79 -5.191 -5.329 -3.456 1.00 0.00 O ATOM 1264 CB ASN A 79 -6.346 -2.173 -3.993 1.00 0.00 C ATOM 1265 CG ASN A 79 -7.740 -2.111 -3.402 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -8.722 -2.453 -4.062 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -7.836 -1.673 -2.152 1.00 0.00 N ATOM 0 H ASN A 79 -4.309 -1.150 -3.071 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.874 -3.294 -2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.969 -1.160 -4.133 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.393 -2.635 -4.979 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.749 -1.610 -1.702 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.996 -1.400 -1.641 1.00 0.00 H new ATOM 1274 N PRO A 80 -4.141 -4.043 -4.967 1.00 0.00 N ATOM 1275 CA PRO A 80 -3.643 -5.178 -5.755 1.00 0.00 C ATOM 1276 C PRO A 80 -2.577 -5.998 -5.030 1.00 0.00 C ATOM 1277 O PRO A 80 -2.391 -7.181 -5.318 1.00 0.00 O ATOM 1278 CB PRO A 80 -3.050 -4.515 -7.000 1.00 0.00 C ATOM 1279 CG PRO A 80 -2.697 -3.136 -6.563 1.00 0.00 C ATOM 1280 CD PRO A 80 -3.727 -2.750 -5.539 1.00 0.00 C ATOM 0 HA PRO A 80 -4.439 -5.892 -5.966 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.172 -5.054 -7.356 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.768 -4.499 -7.820 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.694 -3.106 -6.138 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.707 -2.445 -7.406 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.310 -2.089 -4.779 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.567 -2.224 -5.993 1.00 0.00 H new ATOM 1288 N PHE A 81 -1.873 -5.368 -4.095 1.00 0.00 N ATOM 1289 CA PHE A 81 -0.819 -6.042 -3.346 1.00 0.00 C ATOM 1290 C PHE A 81 -1.395 -7.009 -2.316 1.00 0.00 C ATOM 1291 O PHE A 81 -0.961 -8.157 -2.219 1.00 0.00 O ATOM 1292 CB PHE A 81 0.069 -5.000 -2.655 1.00 0.00 C ATOM 1293 CG PHE A 81 1.161 -5.578 -1.791 1.00 0.00 C ATOM 1294 CD1 PHE A 81 1.556 -6.902 -1.918 1.00 0.00 C ATOM 1295 CD2 PHE A 81 1.795 -4.785 -0.849 1.00 0.00 C ATOM 1296 CE1 PHE A 81 2.557 -7.421 -1.121 1.00 0.00 C ATOM 1297 CE2 PHE A 81 2.799 -5.299 -0.050 1.00 0.00 C ATOM 1298 CZ PHE A 81 3.180 -6.619 -0.186 1.00 0.00 C ATOM 0 H PHE A 81 -2.014 -4.391 -3.838 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.221 -6.624 -4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.524 -4.367 -3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.560 -4.356 -2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.075 -7.534 -2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.501 -3.752 -0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.852 -8.454 -1.229 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.285 -4.669 0.680 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.964 -7.023 0.438 1.00 0.00 H new ATOM 1308 N LEU A 82 -2.362 -6.539 -1.540 1.00 0.00 N ATOM 1309 CA LEU A 82 -2.975 -7.367 -0.511 1.00 0.00 C ATOM 1310 C LEU A 82 -3.729 -8.548 -1.109 1.00 0.00 C ATOM 1311 O LEU A 82 -3.649 -9.663 -0.592 1.00 0.00 O ATOM 1312 CB LEU A 82 -3.913 -6.528 0.362 1.00 0.00 C ATOM 1313 CG LEU A 82 -3.315 -6.056 1.688 1.00 0.00 C ATOM 1314 CD1 LEU A 82 -4.361 -5.321 2.513 1.00 0.00 C ATOM 1315 CD2 LEU A 82 -2.753 -7.234 2.469 1.00 0.00 C ATOM 0 H LEU A 82 -2.738 -5.593 -1.603 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.172 -7.766 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.230 -5.654 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.808 -7.113 0.573 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.500 -5.366 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.918 -4.992 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.719 -4.454 1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.197 -5.989 2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.332 -6.879 3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.551 -7.948 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.973 -7.720 1.883 1.00 0.00 H new ATOM 1327 N ALA A 83 -4.452 -8.321 -2.201 1.00 0.00 N ATOM 1328 CA ALA A 83 -5.195 -9.395 -2.842 1.00 0.00 C ATOM 1329 C ALA A 83 -4.244 -10.348 -3.547 1.00 0.00 C ATOM 1330 O ALA A 83 -4.440 -11.564 -3.533 1.00 0.00 O ATOM 1331 CB ALA A 83 -6.212 -8.830 -3.822 1.00 0.00 C ATOM 0 H ALA A 83 -4.538 -7.412 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.733 -9.950 -2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.758 -9.648 -4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.911 -8.185 -3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.696 -8.251 -4.588 1.00 0.00 H new ATOM 1337 N LYS A 84 -3.206 -9.788 -4.156 1.00 0.00 N ATOM 1338 CA LYS A 84 -2.216 -10.589 -4.859 1.00 0.00 C ATOM 1339 C LYS A 84 -1.511 -11.536 -3.895 1.00 0.00 C ATOM 1340 O LYS A 84 -1.201 -12.674 -4.246 1.00 0.00 O ATOM 1341 CB LYS A 84 -1.194 -9.687 -5.554 1.00 0.00 C ATOM 1342 CG LYS A 84 -0.101 -10.453 -6.283 1.00 0.00 C ATOM 1343 CD LYS A 84 0.640 -9.565 -7.272 1.00 0.00 C ATOM 1344 CE LYS A 84 2.144 -9.621 -7.056 1.00 0.00 C ATOM 1345 NZ LYS A 84 2.814 -10.512 -8.044 1.00 0.00 N ATOM 0 H LYS A 84 -3.029 -8.784 -4.176 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.730 -11.182 -5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.713 -9.046 -6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.735 -9.034 -4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.605 -10.860 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.539 -11.300 -6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.406 -9.878 -8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.295 -8.536 -7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.560 -8.616 -7.133 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.353 -9.976 -6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.838 -10.523 -7.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.436 -11.477 -7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.636 -10.159 -9.006 1.00 0.00 H new ATOM 1359 N TYR A 85 -1.262 -11.064 -2.674 1.00 0.00 N ATOM 1360 CA TYR A 85 -0.594 -11.886 -1.674 1.00 0.00 C ATOM 1361 C TYR A 85 -1.544 -12.925 -1.094 1.00 0.00 C ATOM 1362 O TYR A 85 -1.147 -14.059 -0.830 1.00 0.00 O ATOM 1363 CB TYR A 85 -0.013 -11.023 -0.553 1.00 0.00 C ATOM 1364 CG TYR A 85 1.195 -11.653 0.103 1.00 0.00 C ATOM 1365 CD1 TYR A 85 2.426 -11.674 -0.543 1.00 0.00 C ATOM 1366 CD2 TYR A 85 1.103 -12.239 1.359 1.00 0.00 C ATOM 1367 CE1 TYR A 85 3.529 -12.261 0.045 1.00 0.00 C ATOM 1368 CE2 TYR A 85 2.204 -12.825 1.954 1.00 0.00 C ATOM 1369 CZ TYR A 85 3.414 -12.834 1.293 1.00 0.00 C ATOM 1370 OH TYR A 85 4.512 -13.421 1.881 1.00 0.00 O ATOM 0 H TYR A 85 -1.511 -10.126 -2.359 1.00 0.00 H new ATOM 0 HA TYR A 85 0.225 -12.406 -2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.264 -10.049 -0.957 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.781 -10.849 0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.521 -11.224 -1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.156 -12.237 1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.478 -12.271 -0.471 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.117 -13.274 2.932 1.00 0.00 H new ATOM 0 HH TYR A 85 5.183 -12.735 2.078 1.00 0.00 H new ATOM 1380 N ARG A 86 -2.798 -12.537 -0.897 1.00 0.00 N ATOM 1381 CA ARG A 86 -3.796 -13.448 -0.350 1.00 0.00 C ATOM 1382 C ARG A 86 -4.028 -14.618 -1.300 1.00 0.00 C ATOM 1383 O ARG A 86 -4.032 -15.777 -0.886 1.00 0.00 O ATOM 1384 CB ARG A 86 -5.110 -12.711 -0.085 1.00 0.00 C ATOM 1385 CG ARG A 86 -5.450 -12.583 1.391 1.00 0.00 C ATOM 1386 CD ARG A 86 -6.946 -12.424 1.607 1.00 0.00 C ATOM 1387 NE ARG A 86 -7.370 -12.931 2.911 1.00 0.00 N ATOM 1388 CZ ARG A 86 -7.221 -12.261 4.051 1.00 0.00 C ATOM 1389 NH1 ARG A 86 -6.660 -11.058 4.054 1.00 0.00 N ATOM 1390 NH2 ARG A 86 -7.635 -12.795 5.192 1.00 0.00 N ATOM 0 H ARG A 86 -3.147 -11.602 -1.107 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.421 -13.837 0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.053 -11.715 -0.524 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.920 -13.236 -0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.096 -13.465 1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.927 -11.724 1.813 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.214 -11.371 1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.484 -12.953 0.820 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.806 -13.852 2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.340 -10.642 3.179 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.549 -10.549 4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.067 -13.719 5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.521 -12.282 6.066 1.00 0.00 H new ATOM 1404 N ASP A 87 -4.206 -14.305 -2.578 1.00 0.00 N ATOM 1405 CA ASP A 87 -4.422 -15.331 -3.587 1.00 0.00 C ATOM 1406 C ASP A 87 -3.140 -16.127 -3.800 1.00 0.00 C ATOM 1407 O ASP A 87 -3.174 -17.336 -4.025 1.00 0.00 O ATOM 1408 CB ASP A 87 -4.873 -14.699 -4.905 1.00 0.00 C ATOM 1409 CG ASP A 87 -6.382 -14.677 -5.048 1.00 0.00 C ATOM 1410 OD1 ASP A 87 -7.039 -13.934 -4.289 1.00 0.00 O ATOM 1411 OD2 ASP A 87 -6.907 -15.402 -5.919 1.00 0.00 O ATOM 0 H ASP A 87 -4.205 -13.351 -2.938 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.206 -16.004 -3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.490 -13.680 -4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.440 -15.253 -5.738 1.00 0.00 H new ATOM 1416 N PHE A 88 -2.012 -15.433 -3.714 1.00 0.00 N ATOM 1417 CA PHE A 88 -0.706 -16.057 -3.884 1.00 0.00 C ATOM 1418 C PHE A 88 -0.415 -17.029 -2.739 1.00 0.00 C ATOM 1419 O PHE A 88 0.138 -18.107 -2.953 1.00 0.00 O ATOM 1420 CB PHE A 88 0.374 -14.969 -3.950 1.00 0.00 C ATOM 1421 CG PHE A 88 1.786 -15.486 -3.928 1.00 0.00 C ATOM 1422 CD1 PHE A 88 2.364 -15.918 -2.744 1.00 0.00 C ATOM 1423 CD2 PHE A 88 2.541 -15.530 -5.091 1.00 0.00 C ATOM 1424 CE1 PHE A 88 3.663 -16.385 -2.721 1.00 0.00 C ATOM 1425 CE2 PHE A 88 3.842 -15.995 -5.071 1.00 0.00 C ATOM 1426 CZ PHE A 88 4.402 -16.422 -3.885 1.00 0.00 C ATOM 0 H PHE A 88 -1.976 -14.431 -3.526 1.00 0.00 H new ATOM 0 HA PHE A 88 -0.704 -16.625 -4.814 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.229 -14.386 -4.859 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.237 -14.288 -3.110 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.791 -15.889 -1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.107 -15.197 -6.022 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.100 -16.721 -1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.420 -16.024 -5.983 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.419 -16.785 -3.868 1.00 0.00 H new ATOM 1436 N LEU A 89 -0.786 -16.632 -1.526 1.00 0.00 N ATOM 1437 CA LEU A 89 -0.561 -17.457 -0.341 1.00 0.00 C ATOM 1438 C LEU A 89 -1.528 -18.641 -0.277 1.00 0.00 C ATOM 1439 O LEU A 89 -1.147 -19.741 0.125 1.00 0.00 O ATOM 1440 CB LEU A 89 -0.704 -16.602 0.925 1.00 0.00 C ATOM 1441 CG LEU A 89 0.179 -16.990 2.129 1.00 0.00 C ATOM 1442 CD1 LEU A 89 1.033 -18.218 1.844 1.00 0.00 C ATOM 1443 CD2 LEU A 89 1.060 -15.820 2.534 1.00 0.00 C ATOM 0 H LEU A 89 -1.245 -15.741 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 89 0.451 -17.857 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.485 -15.567 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.746 -16.637 1.243 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.489 -17.243 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.637 -18.452 2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.387 -19.065 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.687 -18.017 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.678 -16.107 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.701 -15.541 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.434 -14.972 2.810 1.00 0.00 H new ATOM 1455 N LYS A 90 -2.778 -18.415 -0.671 1.00 0.00 N ATOM 1456 CA LYS A 90 -3.790 -19.469 -0.651 1.00 0.00 C ATOM 1457 C LYS A 90 -3.839 -20.244 -1.968 1.00 0.00 C ATOM 1458 O LYS A 90 -4.559 -21.235 -2.083 1.00 0.00 O ATOM 1459 CB LYS A 90 -5.166 -18.872 -0.352 1.00 0.00 C ATOM 1460 CG LYS A 90 -5.511 -18.851 1.128 1.00 0.00 C ATOM 1461 CD LYS A 90 -5.247 -17.485 1.745 1.00 0.00 C ATOM 1462 CE LYS A 90 -6.441 -16.996 2.549 1.00 0.00 C ATOM 1463 NZ LYS A 90 -6.023 -16.347 3.823 1.00 0.00 N ATOM 0 H LYS A 90 -3.115 -17.513 -1.008 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.513 -20.170 0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -5.203 -17.854 -0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.925 -19.444 -0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.560 -19.115 1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.924 -19.606 1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.370 -17.540 2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.019 -16.767 0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.015 -16.288 1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.100 -17.836 2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.860 -15.967 4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.556 -17.048 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.361 -15.572 3.617 1.00 0.00 H new ATOM 1477 N SER A 91 -3.092 -19.781 -2.965 1.00 0.00 N ATOM 1478 CA SER A 91 -3.082 -20.428 -4.273 1.00 0.00 C ATOM 1479 C SER A 91 -2.541 -21.856 -4.202 1.00 0.00 C ATOM 1480 O SER A 91 -3.169 -22.787 -4.706 1.00 0.00 O ATOM 1481 CB SER A 91 -2.251 -19.604 -5.261 1.00 0.00 C ATOM 1482 OG SER A 91 -1.796 -20.402 -6.342 1.00 0.00 O ATOM 0 H SER A 91 -2.487 -18.963 -2.893 1.00 0.00 H new ATOM 0 HA SER A 91 -4.114 -20.483 -4.618 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.850 -18.778 -5.643 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.397 -19.166 -4.745 1.00 0.00 H new ATOM 0 HG SER A 91 -1.270 -19.850 -6.957 1.00 0.00 H new