USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 416 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-2.9) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 19 CYS SG : rot 67:sc= -0.287 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.103 K(o=-0.1,f=-2.4!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS :FLIP no HE2:sc= -0.111 F(o=-1.1,f=-0.11) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -57:sc= 0.0663 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 16.437 8.866 -5.423 1.00 0.00 N ATOM 2 CA GLY A -2 15.133 8.852 -4.785 1.00 0.00 C ATOM 3 C GLY A -2 13.996 8.874 -5.787 1.00 0.00 C ATOM 4 O GLY A -2 13.188 7.947 -5.839 1.00 0.00 O ATOM 0 H1 GLY A -2 17.180 8.850 -4.695 1.00 0.00 H new ATOM 0 H2 GLY A -2 16.533 8.030 -6.034 1.00 0.00 H new ATOM 0 H3 GLY A -2 16.533 9.728 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY A -2 15.047 7.962 -4.162 1.00 0.00 H new ATOM 0 HA3 GLY A -2 15.047 9.714 -4.123 1.00 0.00 H new ATOM 8 N SER A -1 13.932 9.936 -6.583 1.00 0.00 N ATOM 9 CA SER A -1 12.882 10.078 -7.585 1.00 0.00 C ATOM 10 C SER A -1 13.262 9.359 -8.875 1.00 0.00 C ATOM 11 O SER A -1 14.317 9.616 -9.455 1.00 0.00 O ATOM 12 CB SER A -1 12.617 11.557 -7.871 1.00 0.00 C ATOM 13 OG SER A -1 11.961 12.179 -6.779 1.00 0.00 O ATOM 0 H SER A -1 14.595 10.711 -6.554 1.00 0.00 H new ATOM 0 HA SER A -1 11.973 9.624 -7.190 1.00 0.00 H new ATOM 0 HB2 SER A -1 13.560 12.066 -8.071 1.00 0.00 H new ATOM 0 HB3 SER A -1 12.006 11.653 -8.769 1.00 0.00 H new ATOM 0 HG SER A -1 11.805 13.124 -6.986 1.00 0.00 H new ATOM 19 N SER A 0 12.393 8.456 -9.320 1.00 0.00 N ATOM 20 CA SER A 0 12.638 7.695 -10.540 1.00 0.00 C ATOM 21 C SER A 0 11.467 7.830 -11.508 1.00 0.00 C ATOM 22 O SER A 0 11.637 8.255 -12.650 1.00 0.00 O ATOM 23 CB SER A 0 12.873 6.220 -10.208 1.00 0.00 C ATOM 24 OG SER A 0 13.918 6.070 -9.262 1.00 0.00 O ATOM 0 H SER A 0 11.513 8.234 -8.854 1.00 0.00 H new ATOM 0 HA SER A 0 13.531 8.099 -11.018 1.00 0.00 H new ATOM 0 HB2 SER A 0 11.956 5.782 -9.814 1.00 0.00 H new ATOM 0 HB3 SER A 0 13.121 5.674 -11.118 1.00 0.00 H new ATOM 0 HG SER A 0 14.047 5.119 -9.065 1.00 0.00 H new ATOM 30 N GLY A 1 10.277 7.463 -11.042 1.00 0.00 N ATOM 31 CA GLY A 1 9.094 7.550 -11.879 1.00 0.00 C ATOM 32 C GLY A 1 8.506 6.189 -12.195 1.00 0.00 C ATOM 33 O GLY A 1 9.123 5.386 -12.895 1.00 0.00 O ATOM 0 H GLY A 1 10.111 7.107 -10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.342 8.160 -11.378 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.348 8.058 -12.810 1.00 0.00 H new ATOM 37 N SER A 2 7.311 5.928 -11.676 1.00 0.00 N ATOM 38 CA SER A 2 6.642 4.652 -11.902 1.00 0.00 C ATOM 39 C SER A 2 5.146 4.855 -12.125 1.00 0.00 C ATOM 40 O SER A 2 4.530 5.731 -11.520 1.00 0.00 O ATOM 41 CB SER A 2 6.869 3.715 -10.714 1.00 0.00 C ATOM 42 OG SER A 2 8.252 3.512 -10.482 1.00 0.00 O ATOM 0 H SER A 2 6.786 6.583 -11.096 1.00 0.00 H new ATOM 0 HA SER A 2 7.068 4.201 -12.798 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.405 4.135 -9.822 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.385 2.757 -10.904 1.00 0.00 H new ATOM 0 HG SER A 2 8.371 2.911 -9.717 1.00 0.00 H new ATOM 48 N SER A 3 4.568 4.037 -13.000 1.00 0.00 N ATOM 49 CA SER A 3 3.146 4.128 -13.307 1.00 0.00 C ATOM 50 C SER A 3 2.303 3.721 -12.102 1.00 0.00 C ATOM 51 O SER A 3 1.487 4.499 -11.610 1.00 0.00 O ATOM 52 CB SER A 3 2.804 3.241 -14.506 1.00 0.00 C ATOM 53 OG SER A 3 1.403 3.067 -14.628 1.00 0.00 O ATOM 0 H SER A 3 5.063 3.304 -13.508 1.00 0.00 H new ATOM 0 HA SER A 3 2.918 5.165 -13.554 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.199 3.689 -15.418 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.286 2.270 -14.393 1.00 0.00 H new ATOM 0 HG SER A 3 1.210 2.498 -15.402 1.00 0.00 H new ATOM 59 N GLY A 4 2.507 2.494 -11.633 1.00 0.00 N ATOM 60 CA GLY A 4 1.759 2.003 -10.490 1.00 0.00 C ATOM 61 C GLY A 4 2.648 1.706 -9.299 1.00 0.00 C ATOM 62 O GLY A 4 3.721 1.120 -9.446 1.00 0.00 O ATOM 0 H GLY A 4 3.177 1.831 -12.024 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.010 2.742 -10.205 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.222 1.098 -10.773 1.00 0.00 H new ATOM 66 N VAL A 5 2.204 2.113 -8.114 1.00 0.00 N ATOM 67 CA VAL A 5 2.967 1.887 -6.892 1.00 0.00 C ATOM 68 C VAL A 5 2.909 0.424 -6.470 1.00 0.00 C ATOM 69 O VAL A 5 1.900 -0.041 -5.942 1.00 0.00 O ATOM 70 CB VAL A 5 2.449 2.764 -5.737 1.00 0.00 C ATOM 71 CG1 VAL A 5 3.227 2.481 -4.461 1.00 0.00 C ATOM 72 CG2 VAL A 5 2.533 4.237 -6.107 1.00 0.00 C ATOM 0 H VAL A 5 1.319 2.601 -7.974 1.00 0.00 H new ATOM 0 HA VAL A 5 4.000 2.158 -7.109 1.00 0.00 H new ATOM 0 HB VAL A 5 1.402 2.517 -5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.847 3.110 -3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.110 1.432 -4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.283 2.698 -4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.163 4.842 -5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.570 4.502 -6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.927 4.425 -6.993 1.00 0.00 H new ATOM 82 N GLU A 6 4.000 -0.298 -6.707 1.00 0.00 N ATOM 83 CA GLU A 6 4.073 -1.711 -6.351 1.00 0.00 C ATOM 84 C GLU A 6 3.996 -1.895 -4.838 1.00 0.00 C ATOM 85 O GLU A 6 4.786 -1.318 -4.090 1.00 0.00 O ATOM 86 CB GLU A 6 5.367 -2.328 -6.886 1.00 0.00 C ATOM 87 CG GLU A 6 5.264 -2.806 -8.325 1.00 0.00 C ATOM 88 CD GLU A 6 6.462 -3.630 -8.753 1.00 0.00 C ATOM 89 OE1 GLU A 6 7.580 -3.343 -8.276 1.00 0.00 O ATOM 90 OE2 GLU A 6 6.283 -4.561 -9.565 1.00 0.00 O ATOM 0 H GLU A 6 4.845 0.072 -7.143 1.00 0.00 H new ATOM 0 HA GLU A 6 3.222 -2.219 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.168 -1.592 -6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.648 -3.169 -6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.358 -3.401 -8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.167 -1.943 -8.984 1.00 0.00 H new ATOM 97 N LEU A 7 3.039 -2.703 -4.395 1.00 0.00 N ATOM 98 CA LEU A 7 2.857 -2.964 -2.971 1.00 0.00 C ATOM 99 C LEU A 7 3.305 -4.378 -2.615 1.00 0.00 C ATOM 100 O LEU A 7 4.149 -4.571 -1.740 1.00 0.00 O ATOM 101 CB LEU A 7 1.392 -2.767 -2.580 1.00 0.00 C ATOM 102 CG LEU A 7 0.859 -1.337 -2.669 1.00 0.00 C ATOM 103 CD1 LEU A 7 -0.662 -1.334 -2.695 1.00 0.00 C ATOM 104 CD2 LEU A 7 1.376 -0.501 -1.507 1.00 0.00 C ATOM 0 H LEU A 7 2.377 -3.189 -5.001 1.00 0.00 H new ATOM 0 HA LEU A 7 3.473 -2.257 -2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.778 -3.402 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.259 -3.120 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 7 1.218 -0.894 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.023 -0.307 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.012 -1.896 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.042 -1.797 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.986 0.514 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.047 -0.943 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.465 -0.474 -1.534 1.00 0.00 H new ATOM 116 N HIS A 8 2.736 -5.364 -3.302 1.00 0.00 N ATOM 117 CA HIS A 8 3.079 -6.761 -3.061 1.00 0.00 C ATOM 118 C HIS A 8 4.582 -6.923 -2.851 1.00 0.00 C ATOM 119 O HIS A 8 5.022 -7.481 -1.846 1.00 0.00 O ATOM 120 CB HIS A 8 2.619 -7.631 -4.231 1.00 0.00 C ATOM 121 CG HIS A 8 3.087 -7.136 -5.565 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.611 -5.981 -6.149 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.995 -7.646 -6.429 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.204 -5.803 -7.315 1.00 0.00 C ATOM 125 NE2 HIS A 8 4.050 -6.799 -7.509 1.00 0.00 N ATOM 0 H HIS A 8 2.036 -5.221 -4.030 1.00 0.00 H new ATOM 0 HA HIS A 8 2.566 -7.084 -2.155 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.982 -8.648 -4.082 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.530 -7.679 -4.232 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.569 -8.551 -6.294 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.028 -4.983 -7.995 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.647 -6.919 -8.327 1.00 0.00 H new ATOM 133 N LYS A 9 5.364 -6.432 -3.806 1.00 0.00 N ATOM 134 CA LYS A 9 6.817 -6.521 -3.727 1.00 0.00 C ATOM 135 C LYS A 9 7.310 -6.152 -2.331 1.00 0.00 C ATOM 136 O LYS A 9 8.133 -6.857 -1.745 1.00 0.00 O ATOM 137 CB LYS A 9 7.463 -5.602 -4.766 1.00 0.00 C ATOM 138 CG LYS A 9 7.539 -6.214 -6.154 1.00 0.00 C ATOM 139 CD LYS A 9 8.763 -7.102 -6.306 1.00 0.00 C ATOM 140 CE LYS A 9 9.964 -6.315 -6.809 1.00 0.00 C ATOM 141 NZ LYS A 9 11.246 -7.016 -6.523 1.00 0.00 N ATOM 0 H LYS A 9 5.015 -5.968 -4.645 1.00 0.00 H new ATOM 0 HA LYS A 9 7.104 -7.552 -3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.897 -4.672 -4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.469 -5.345 -4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.639 -6.798 -6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.569 -5.421 -6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.003 -7.560 -5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.542 -7.913 -7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.869 -6.155 -7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.976 -5.331 -6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.040 -6.448 -6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.349 -7.146 -5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.246 -7.945 -6.991 1.00 0.00 H new ATOM 155 N LEU A 10 6.800 -5.045 -1.803 1.00 0.00 N ATOM 156 CA LEU A 10 7.188 -4.583 -0.474 1.00 0.00 C ATOM 157 C LEU A 10 6.887 -5.643 0.580 1.00 0.00 C ATOM 158 O LEU A 10 5.848 -6.303 0.535 1.00 0.00 O ATOM 159 CB LEU A 10 6.456 -3.284 -0.131 1.00 0.00 C ATOM 160 CG LEU A 10 6.867 -2.050 -0.934 1.00 0.00 C ATOM 161 CD1 LEU A 10 5.915 -0.895 -0.663 1.00 0.00 C ATOM 162 CD2 LEU A 10 8.299 -1.652 -0.605 1.00 0.00 C ATOM 0 H LEU A 10 6.118 -4.451 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 10 8.262 -4.397 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.387 -3.445 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.610 -3.072 0.927 1.00 0.00 H new ATOM 0 HG LEU A 10 6.814 -2.296 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.223 -0.025 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.903 -1.182 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.935 -0.648 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.575 -0.772 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.378 -1.425 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.971 -2.474 -0.851 1.00 0.00 H new ATOM 174 N LYS A 11 7.801 -5.801 1.531 1.00 0.00 N ATOM 175 CA LYS A 11 7.634 -6.779 2.600 1.00 0.00 C ATOM 176 C LYS A 11 6.641 -6.278 3.644 1.00 0.00 C ATOM 177 O LYS A 11 6.085 -5.186 3.514 1.00 0.00 O ATOM 178 CB LYS A 11 8.981 -7.077 3.262 1.00 0.00 C ATOM 179 CG LYS A 11 9.845 -8.046 2.474 1.00 0.00 C ATOM 180 CD LYS A 11 10.898 -8.697 3.355 1.00 0.00 C ATOM 181 CE LYS A 11 10.332 -9.891 4.110 1.00 0.00 C ATOM 182 NZ LYS A 11 11.383 -10.899 4.420 1.00 0.00 N ATOM 0 H LYS A 11 8.666 -5.264 1.583 1.00 0.00 H new ATOM 0 HA LYS A 11 7.242 -7.697 2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.526 -6.142 3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.805 -7.487 4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.216 -8.816 2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.331 -7.517 1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.739 -9.019 2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.283 -7.965 4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.871 -9.550 5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.546 -10.357 3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.958 -11.697 4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.805 -11.244 3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.121 -10.462 5.008 1.00 0.00 H new ATOM 196 N LEU A 12 6.425 -7.080 4.681 1.00 0.00 N ATOM 197 CA LEU A 12 5.500 -6.718 5.749 1.00 0.00 C ATOM 198 C LEU A 12 5.963 -5.452 6.463 1.00 0.00 C ATOM 199 O LEU A 12 5.168 -4.550 6.727 1.00 0.00 O ATOM 200 CB LEU A 12 5.374 -7.865 6.752 1.00 0.00 C ATOM 201 CG LEU A 12 4.373 -8.964 6.393 1.00 0.00 C ATOM 202 CD1 LEU A 12 2.964 -8.397 6.313 1.00 0.00 C ATOM 203 CD2 LEU A 12 4.759 -9.628 5.079 1.00 0.00 C ATOM 0 H LEU A 12 6.878 -7.985 4.805 1.00 0.00 H new ATOM 0 HA LEU A 12 4.525 -6.526 5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.356 -8.322 6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.093 -7.447 7.718 1.00 0.00 H new ATOM 0 HG LEU A 12 4.394 -9.719 7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.265 -9.193 6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.689 -7.969 7.277 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.927 -7.621 5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.036 -10.407 4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.767 -8.883 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.751 -10.070 5.172 1.00 0.00 H new ATOM 215 N ALA A 13 7.255 -5.390 6.770 1.00 0.00 N ATOM 216 CA ALA A 13 7.824 -4.233 7.449 1.00 0.00 C ATOM 217 C ALA A 13 7.598 -2.958 6.644 1.00 0.00 C ATOM 218 O ALA A 13 7.212 -1.927 7.194 1.00 0.00 O ATOM 219 CB ALA A 13 9.310 -4.446 7.699 1.00 0.00 C ATOM 0 H ALA A 13 7.927 -6.128 6.559 1.00 0.00 H new ATOM 0 HA ALA A 13 7.318 -4.120 8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.722 -3.574 8.207 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.451 -5.329 8.322 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.822 -4.588 6.747 1.00 0.00 H new ATOM 225 N GLU A 14 7.842 -3.036 5.340 1.00 0.00 N ATOM 226 CA GLU A 14 7.667 -1.886 4.460 1.00 0.00 C ATOM 227 C GLU A 14 6.193 -1.503 4.354 1.00 0.00 C ATOM 228 O GLU A 14 5.841 -0.324 4.415 1.00 0.00 O ATOM 229 CB GLU A 14 8.228 -2.190 3.069 1.00 0.00 C ATOM 230 CG GLU A 14 9.731 -2.408 3.054 1.00 0.00 C ATOM 231 CD GLU A 14 10.116 -3.840 3.373 1.00 0.00 C ATOM 232 OE1 GLU A 14 9.841 -4.290 4.505 1.00 0.00 O ATOM 233 OE2 GLU A 14 10.691 -4.511 2.491 1.00 0.00 O ATOM 0 H GLU A 14 8.161 -3.883 4.869 1.00 0.00 H new ATOM 0 HA GLU A 14 8.214 -1.046 4.888 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.736 -3.079 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.982 -1.366 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.123 -2.140 2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.198 -1.740 3.778 1.00 0.00 H new ATOM 240 N LEU A 15 5.338 -2.506 4.193 1.00 0.00 N ATOM 241 CA LEU A 15 3.902 -2.276 4.077 1.00 0.00 C ATOM 242 C LEU A 15 3.350 -1.630 5.344 1.00 0.00 C ATOM 243 O LEU A 15 2.621 -0.640 5.283 1.00 0.00 O ATOM 244 CB LEU A 15 3.174 -3.593 3.804 1.00 0.00 C ATOM 245 CG LEU A 15 3.410 -4.217 2.427 1.00 0.00 C ATOM 246 CD1 LEU A 15 2.758 -5.588 2.344 1.00 0.00 C ATOM 247 CD2 LEU A 15 2.879 -3.305 1.331 1.00 0.00 C ATOM 0 H LEU A 15 5.614 -3.487 4.140 1.00 0.00 H new ATOM 0 HA LEU A 15 3.735 -1.596 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.473 -4.315 4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.104 -3.426 3.927 1.00 0.00 H new ATOM 0 HG LEU A 15 4.484 -4.339 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.936 -6.017 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.185 -6.241 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.685 -5.491 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.055 -3.764 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.809 -3.152 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.392 -2.344 1.377 1.00 0.00 H new ATOM 259 N LYS A 16 3.704 -2.197 6.493 1.00 0.00 N ATOM 260 CA LYS A 16 3.248 -1.676 7.776 1.00 0.00 C ATOM 261 C LYS A 16 3.681 -0.225 7.960 1.00 0.00 C ATOM 262 O LYS A 16 2.917 0.602 8.456 1.00 0.00 O ATOM 263 CB LYS A 16 3.795 -2.532 8.921 1.00 0.00 C ATOM 264 CG LYS A 16 3.095 -3.871 9.067 1.00 0.00 C ATOM 265 CD LYS A 16 3.525 -4.590 10.335 1.00 0.00 C ATOM 266 CE LYS A 16 2.596 -5.749 10.661 1.00 0.00 C ATOM 267 NZ LYS A 16 2.585 -6.059 12.118 1.00 0.00 N ATOM 0 H LYS A 16 4.306 -3.018 6.561 1.00 0.00 H new ATOM 0 HA LYS A 16 2.159 -1.716 7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.859 -2.704 8.759 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.700 -1.978 9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.016 -3.719 9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.317 -4.495 8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.543 -4.961 10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.537 -3.886 11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.585 -5.507 10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.908 -6.632 10.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.940 -6.854 12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.545 -6.315 12.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.262 -5.224 12.648 1.00 0.00 H new ATOM 281 N GLN A 17 4.911 0.076 7.555 1.00 0.00 N ATOM 282 CA GLN A 17 5.444 1.428 7.674 1.00 0.00 C ATOM 283 C GLN A 17 4.596 2.420 6.885 1.00 0.00 C ATOM 284 O GLN A 17 4.287 3.508 7.369 1.00 0.00 O ATOM 285 CB GLN A 17 6.892 1.472 7.183 1.00 0.00 C ATOM 286 CG GLN A 17 7.497 2.867 7.198 1.00 0.00 C ATOM 287 CD GLN A 17 8.969 2.869 6.836 1.00 0.00 C ATOM 288 OE1 GLN A 17 9.404 2.130 5.952 1.00 0.00 O ATOM 289 NE2 GLN A 17 9.746 3.701 7.519 1.00 0.00 N ATOM 0 H GLN A 17 5.556 -0.597 7.142 1.00 0.00 H new ATOM 0 HA GLN A 17 5.415 1.712 8.726 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.499 0.815 7.807 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.935 1.077 6.168 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.954 3.502 6.498 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.370 3.303 8.189 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.344 4.296 8.243 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.745 3.745 7.319 1.00 0.00 H new ATOM 298 N GLU A 18 4.224 2.036 5.668 1.00 0.00 N ATOM 299 CA GLU A 18 3.413 2.893 4.812 1.00 0.00 C ATOM 300 C GLU A 18 2.063 3.188 5.460 1.00 0.00 C ATOM 301 O GLU A 18 1.576 4.319 5.417 1.00 0.00 O ATOM 302 CB GLU A 18 3.202 2.235 3.447 1.00 0.00 C ATOM 303 CG GLU A 18 4.349 2.462 2.477 1.00 0.00 C ATOM 304 CD GLU A 18 4.574 3.931 2.174 1.00 0.00 C ATOM 305 OE1 GLU A 18 3.883 4.464 1.281 1.00 0.00 O ATOM 306 OE2 GLU A 18 5.441 4.547 2.828 1.00 0.00 O ATOM 0 H GLU A 18 4.471 1.138 5.253 1.00 0.00 H new ATOM 0 HA GLU A 18 3.945 3.834 4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.063 1.163 3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.283 2.620 3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.262 2.037 2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.145 1.930 1.548 1.00 0.00 H new ATOM 313 N CYS A 19 1.465 2.165 6.060 1.00 0.00 N ATOM 314 CA CYS A 19 0.171 2.314 6.716 1.00 0.00 C ATOM 315 C CYS A 19 0.258 3.307 7.870 1.00 0.00 C ATOM 316 O CYS A 19 -0.654 4.108 8.083 1.00 0.00 O ATOM 317 CB CYS A 19 -0.322 0.960 7.229 1.00 0.00 C ATOM 318 SG CYS A 19 -0.477 -0.304 5.946 1.00 0.00 S ATOM 0 H CYS A 19 1.855 1.224 6.106 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.539 2.698 5.983 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.365 0.602 7.995 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.291 1.096 7.709 1.00 0.00 H new ATOM 0 HG CYS A 19 0.703 -0.617 5.500 1.00 0.00 H new ATOM 324 N LEU A 20 1.358 3.250 8.612 1.00 0.00 N ATOM 325 CA LEU A 20 1.563 4.144 9.746 1.00 0.00 C ATOM 326 C LEU A 20 1.611 5.599 9.291 1.00 0.00 C ATOM 327 O LEU A 20 0.968 6.466 9.883 1.00 0.00 O ATOM 328 CB LEU A 20 2.858 3.784 10.476 1.00 0.00 C ATOM 329 CG LEU A 20 2.735 2.741 11.587 1.00 0.00 C ATOM 330 CD1 LEU A 20 4.019 2.671 12.399 1.00 0.00 C ATOM 331 CD2 LEU A 20 1.550 3.058 12.488 1.00 0.00 C ATOM 0 H LEU A 20 2.122 2.594 8.449 1.00 0.00 H new ATOM 0 HA LEU A 20 0.722 4.024 10.429 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.576 3.420 9.741 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.275 4.695 10.905 1.00 0.00 H new ATOM 0 HG LEU A 20 2.566 1.767 11.127 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.912 1.923 13.185 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.848 2.396 11.746 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.219 3.644 12.848 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.478 2.305 13.273 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.689 4.040 12.939 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.633 3.056 11.898 1.00 0.00 H new ATOM 343 N ALA A 21 2.374 5.859 8.234 1.00 0.00 N ATOM 344 CA ALA A 21 2.501 7.207 7.697 1.00 0.00 C ATOM 345 C ALA A 21 1.148 7.749 7.247 1.00 0.00 C ATOM 346 O ALA A 21 0.847 8.928 7.436 1.00 0.00 O ATOM 347 CB ALA A 21 3.489 7.224 6.540 1.00 0.00 C ATOM 0 H ALA A 21 2.913 5.153 7.733 1.00 0.00 H new ATOM 0 HA ALA A 21 2.876 7.853 8.491 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.574 8.238 6.149 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.465 6.887 6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.137 6.559 5.751 1.00 0.00 H new ATOM 353 N ARG A 22 0.337 6.881 6.650 1.00 0.00 N ATOM 354 CA ARG A 22 -0.983 7.274 6.172 1.00 0.00 C ATOM 355 C ARG A 22 -1.946 7.474 7.338 1.00 0.00 C ATOM 356 O ARG A 22 -2.871 8.282 7.261 1.00 0.00 O ATOM 357 CB ARG A 22 -1.536 6.217 5.214 1.00 0.00 C ATOM 358 CG ARG A 22 -0.712 6.052 3.948 1.00 0.00 C ATOM 359 CD ARG A 22 -1.447 5.217 2.910 1.00 0.00 C ATOM 360 NE ARG A 22 -0.910 5.417 1.567 1.00 0.00 N ATOM 361 CZ ARG A 22 0.290 4.994 1.185 1.00 0.00 C ATOM 362 NH1 ARG A 22 1.074 4.352 2.040 1.00 0.00 N ATOM 363 NH2 ARG A 22 0.709 5.214 -0.055 1.00 0.00 N ATOM 0 H ARG A 22 0.571 5.902 6.486 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.883 8.220 5.640 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.586 5.259 5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.557 6.485 4.941 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.482 7.033 3.531 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.239 5.578 4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.375 4.162 3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.506 5.476 2.920 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.488 5.908 0.885 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.756 4.182 2.994 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.995 4.028 1.744 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.109 5.708 -0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.631 4.889 -0.347 1.00 0.00 H new ATOM 377 N GLY A 23 -1.724 6.730 8.418 1.00 0.00 N ATOM 378 CA GLY A 23 -2.580 6.840 9.584 1.00 0.00 C ATOM 379 C GLY A 23 -3.610 5.729 9.654 1.00 0.00 C ATOM 380 O GLY A 23 -4.756 5.959 10.040 1.00 0.00 O ATOM 0 H GLY A 23 -0.966 6.053 8.505 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.966 6.820 10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.090 7.803 9.567 1.00 0.00 H new ATOM 384 N LEU A 24 -3.201 4.522 9.278 1.00 0.00 N ATOM 385 CA LEU A 24 -4.097 3.371 9.298 1.00 0.00 C ATOM 386 C LEU A 24 -3.656 2.356 10.348 1.00 0.00 C ATOM 387 O LEU A 24 -2.661 2.561 11.042 1.00 0.00 O ATOM 388 CB LEU A 24 -4.141 2.710 7.919 1.00 0.00 C ATOM 389 CG LEU A 24 -4.651 3.582 6.772 1.00 0.00 C ATOM 390 CD1 LEU A 24 -4.203 3.019 5.433 1.00 0.00 C ATOM 391 CD2 LEU A 24 -6.167 3.698 6.824 1.00 0.00 C ATOM 0 H LEU A 24 -2.256 4.315 8.956 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.096 3.723 9.557 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.136 2.368 7.670 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.772 1.824 7.983 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.226 4.580 6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.576 3.653 4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.114 2.989 5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.598 2.010 5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.513 4.322 6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.611 2.706 6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.465 4.149 7.771 1.00 0.00 H new ATOM 403 N GLU A 25 -4.403 1.262 10.456 1.00 0.00 N ATOM 404 CA GLU A 25 -4.087 0.215 11.420 1.00 0.00 C ATOM 405 C GLU A 25 -3.150 -0.823 10.809 1.00 0.00 C ATOM 406 O GLU A 25 -3.293 -1.197 9.645 1.00 0.00 O ATOM 407 CB GLU A 25 -5.368 -0.464 11.908 1.00 0.00 C ATOM 408 CG GLU A 25 -5.273 -0.996 13.328 1.00 0.00 C ATOM 409 CD GLU A 25 -5.649 0.042 14.367 1.00 0.00 C ATOM 410 OE1 GLU A 25 -6.760 0.605 14.267 1.00 0.00 O ATOM 411 OE2 GLU A 25 -4.834 0.293 15.278 1.00 0.00 O ATOM 0 H GLU A 25 -5.230 1.078 9.888 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.584 0.679 12.269 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.191 0.248 11.850 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.611 -1.287 11.236 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.927 -1.862 13.432 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.256 -1.340 13.516 1.00 0.00 H new ATOM 418 N THR A 26 -2.188 -1.285 11.604 1.00 0.00 N ATOM 419 CA THR A 26 -1.226 -2.277 11.142 1.00 0.00 C ATOM 420 C THR A 26 -1.702 -3.691 11.455 1.00 0.00 C ATOM 421 O THR A 26 -0.945 -4.513 11.972 1.00 0.00 O ATOM 422 CB THR A 26 0.157 -2.060 11.784 1.00 0.00 C ATOM 423 OG1 THR A 26 0.072 -2.237 13.202 1.00 0.00 O ATOM 424 CG2 THR A 26 0.685 -0.668 11.472 1.00 0.00 C ATOM 0 H THR A 26 -2.056 -0.987 12.571 1.00 0.00 H new ATOM 0 HA THR A 26 -1.140 -2.155 10.062 1.00 0.00 H new ATOM 0 HB THR A 26 0.846 -2.795 11.368 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.956 -2.099 13.602 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.663 -0.537 11.936 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.776 -0.547 10.393 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.005 0.079 11.864 1.00 0.00 H new ATOM 432 N LYS A 27 -2.962 -3.970 11.137 1.00 0.00 N ATOM 433 CA LYS A 27 -3.540 -5.286 11.382 1.00 0.00 C ATOM 434 C LYS A 27 -3.726 -6.051 10.075 1.00 0.00 C ATOM 435 O LYS A 27 -3.405 -5.547 8.999 1.00 0.00 O ATOM 436 CB LYS A 27 -4.884 -5.150 12.101 1.00 0.00 C ATOM 437 CG LYS A 27 -4.860 -4.158 13.252 1.00 0.00 C ATOM 438 CD LYS A 27 -3.988 -4.650 14.394 1.00 0.00 C ATOM 439 CE LYS A 27 -4.476 -4.123 15.735 1.00 0.00 C ATOM 440 NZ LYS A 27 -5.660 -4.877 16.231 1.00 0.00 N ATOM 0 H LYS A 27 -3.603 -3.302 10.709 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.851 -5.845 12.015 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.642 -4.841 11.381 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.184 -6.127 12.480 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.488 -3.197 12.897 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.875 -3.994 13.613 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.987 -5.740 14.409 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.958 -4.332 14.230 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.670 -4.190 16.466 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.732 -3.068 15.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.961 -4.487 17.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.438 -4.792 15.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.409 -5.880 16.347 1.00 0.00 H new ATOM 454 N GLY A 28 -4.247 -7.270 10.177 1.00 0.00 N ATOM 455 CA GLY A 28 -4.468 -8.083 8.995 1.00 0.00 C ATOM 456 C GLY A 28 -3.175 -8.605 8.401 1.00 0.00 C ATOM 457 O GLY A 28 -2.091 -8.131 8.743 1.00 0.00 O ATOM 0 H GLY A 28 -4.520 -7.709 11.056 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.112 -8.924 9.251 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.997 -7.494 8.246 1.00 0.00 H new ATOM 461 N ILE A 29 -3.288 -9.584 7.510 1.00 0.00 N ATOM 462 CA ILE A 29 -2.119 -10.170 6.867 1.00 0.00 C ATOM 463 C ILE A 29 -1.637 -9.306 5.707 1.00 0.00 C ATOM 464 O ILE A 29 -2.201 -8.247 5.432 1.00 0.00 O ATOM 465 CB ILE A 29 -2.415 -11.590 6.347 1.00 0.00 C ATOM 466 CG1 ILE A 29 -3.555 -11.555 5.328 1.00 0.00 C ATOM 467 CG2 ILE A 29 -2.758 -12.517 7.504 1.00 0.00 C ATOM 468 CD1 ILE A 29 -3.669 -12.820 4.506 1.00 0.00 C ATOM 0 H ILE A 29 -4.178 -9.988 7.217 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.337 -10.225 7.625 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.523 -11.974 5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.495 -11.386 5.853 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.407 -10.708 4.658 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.965 -13.516 7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.918 -12.561 8.197 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.638 -12.139 8.025 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.498 -12.725 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.743 -12.980 3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.848 -13.668 5.167 1.00 0.00 H new ATOM 480 N LYS A 30 -0.592 -9.766 5.028 1.00 0.00 N ATOM 481 CA LYS A 30 -0.035 -9.038 3.894 1.00 0.00 C ATOM 482 C LYS A 30 -1.144 -8.470 3.014 1.00 0.00 C ATOM 483 O LYS A 30 -1.199 -7.265 2.770 1.00 0.00 O ATOM 484 CB LYS A 30 0.869 -9.955 3.067 1.00 0.00 C ATOM 485 CG LYS A 30 1.347 -9.327 1.769 1.00 0.00 C ATOM 486 CD LYS A 30 2.690 -9.893 1.338 1.00 0.00 C ATOM 487 CE LYS A 30 3.085 -9.398 -0.045 1.00 0.00 C ATOM 488 NZ LYS A 30 3.988 -10.357 -0.740 1.00 0.00 N ATOM 0 H LYS A 30 -0.113 -10.640 5.243 1.00 0.00 H new ATOM 0 HA LYS A 30 0.557 -8.209 4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.735 -10.234 3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.329 -10.874 2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.609 -9.501 0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.429 -8.247 1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.455 -9.608 2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.644 -10.982 1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.188 -9.243 -0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.580 -8.431 0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.234 -9.984 -1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.855 -10.486 -0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.506 -11.272 -0.847 1.00 0.00 H new ATOM 502 N GLN A 31 -2.025 -9.346 2.542 1.00 0.00 N ATOM 503 CA GLN A 31 -3.133 -8.931 1.690 1.00 0.00 C ATOM 504 C GLN A 31 -3.958 -7.840 2.364 1.00 0.00 C ATOM 505 O GLN A 31 -4.354 -6.864 1.726 1.00 0.00 O ATOM 506 CB GLN A 31 -4.024 -10.128 1.355 1.00 0.00 C ATOM 507 CG GLN A 31 -3.352 -11.154 0.457 1.00 0.00 C ATOM 508 CD GLN A 31 -4.023 -12.512 0.519 1.00 0.00 C ATOM 509 OE1 GLN A 31 -3.395 -13.512 0.868 1.00 0.00 O ATOM 510 NE2 GLN A 31 -5.306 -12.555 0.179 1.00 0.00 N ATOM 0 H GLN A 31 -1.993 -10.347 2.735 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.717 -8.528 0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.330 -10.613 2.282 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.931 -9.770 0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.364 -10.794 -0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.306 -11.256 0.747 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.787 -11.701 -0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.810 -13.442 0.201 1.00 0.00 H new ATOM 519 N ASP A 32 -4.215 -8.012 3.655 1.00 0.00 N ATOM 520 CA ASP A 32 -4.994 -7.042 4.416 1.00 0.00 C ATOM 521 C ASP A 32 -4.323 -5.672 4.398 1.00 0.00 C ATOM 522 O ASP A 32 -4.984 -4.647 4.225 1.00 0.00 O ATOM 523 CB ASP A 32 -5.171 -7.517 5.859 1.00 0.00 C ATOM 524 CG ASP A 32 -6.223 -8.601 5.987 1.00 0.00 C ATOM 525 OD1 ASP A 32 -6.045 -9.676 5.378 1.00 0.00 O ATOM 526 OD2 ASP A 32 -7.225 -8.374 6.697 1.00 0.00 O ATOM 0 H ASP A 32 -3.895 -8.814 4.197 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.974 -6.953 3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.219 -7.893 6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.449 -6.670 6.486 1.00 0.00 H new ATOM 531 N LEU A 33 -3.007 -5.661 4.577 1.00 0.00 N ATOM 532 CA LEU A 33 -2.245 -4.417 4.582 1.00 0.00 C ATOM 533 C LEU A 33 -2.297 -3.741 3.216 1.00 0.00 C ATOM 534 O LEU A 33 -2.464 -2.525 3.120 1.00 0.00 O ATOM 535 CB LEU A 33 -0.792 -4.687 4.975 1.00 0.00 C ATOM 536 CG LEU A 33 -0.522 -4.862 6.470 1.00 0.00 C ATOM 537 CD1 LEU A 33 0.796 -5.587 6.694 1.00 0.00 C ATOM 538 CD2 LEU A 33 -0.516 -3.512 7.173 1.00 0.00 C ATOM 0 H LEU A 33 -2.445 -6.500 4.721 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.695 -3.748 5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.458 -5.587 4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.179 -3.863 4.609 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.323 -5.467 6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.971 -5.702 7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.755 -6.570 6.225 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.609 -5.009 6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.322 -3.656 8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.263 -2.882 6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.485 -3.030 7.043 1.00 0.00 H new ATOM 550 N ILE A 34 -2.155 -4.538 2.162 1.00 0.00 N ATOM 551 CA ILE A 34 -2.189 -4.017 0.801 1.00 0.00 C ATOM 552 C ILE A 34 -3.577 -3.492 0.448 1.00 0.00 C ATOM 553 O ILE A 34 -3.714 -2.435 -0.168 1.00 0.00 O ATOM 554 CB ILE A 34 -1.784 -5.093 -0.224 1.00 0.00 C ATOM 555 CG1 ILE A 34 -0.346 -5.552 0.027 1.00 0.00 C ATOM 556 CG2 ILE A 34 -1.936 -4.559 -1.640 1.00 0.00 C ATOM 557 CD1 ILE A 34 -0.023 -6.894 -0.591 1.00 0.00 C ATOM 0 H ILE A 34 -2.015 -5.546 2.224 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.471 -3.198 0.759 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.445 -5.952 -0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.340 -4.804 -0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.173 -5.605 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.646 -5.331 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.975 -4.277 -1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.296 -3.686 -1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.012 -7.155 -0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.684 -7.654 -0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.164 -6.841 -1.671 1.00 0.00 H new ATOM 569 N HIS A 35 -4.604 -4.237 0.844 1.00 0.00 N ATOM 570 CA HIS A 35 -5.982 -3.846 0.571 1.00 0.00 C ATOM 571 C HIS A 35 -6.291 -2.484 1.185 1.00 0.00 C ATOM 572 O HIS A 35 -6.930 -1.639 0.556 1.00 0.00 O ATOM 573 CB HIS A 35 -6.950 -4.896 1.117 1.00 0.00 C ATOM 574 CG HIS A 35 -8.239 -4.974 0.359 1.00 0.00 C ATOM 575 ND1 HIS A 35 -9.473 -5.023 0.973 1.00 0.00 N ATOM 576 CD2 HIS A 35 -8.482 -5.010 -0.973 1.00 0.00 C ATOM 577 CE1 HIS A 35 -10.418 -5.088 0.053 1.00 0.00 C ATOM 578 NE2 HIS A 35 -9.844 -5.081 -1.136 1.00 0.00 N ATOM 0 H HIS A 35 -4.508 -5.115 1.355 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.107 -3.775 -0.510 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.465 -5.872 1.094 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.165 -4.671 2.162 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.743 -4.987 -1.760 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.480 -5.138 0.241 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.333 -5.122 -2.030 1.00 0.00 H new ATOM 586 N ARG A 36 -5.835 -2.277 2.416 1.00 0.00 N ATOM 587 CA ARG A 36 -6.065 -1.019 3.115 1.00 0.00 C ATOM 588 C ARG A 36 -5.306 0.122 2.443 1.00 0.00 C ATOM 589 O ARG A 36 -5.804 1.246 2.354 1.00 0.00 O ATOM 590 CB ARG A 36 -5.636 -1.138 4.579 1.00 0.00 C ATOM 591 CG ARG A 36 -6.393 -0.207 5.512 1.00 0.00 C ATOM 592 CD ARG A 36 -6.299 -0.671 6.958 1.00 0.00 C ATOM 593 NE ARG A 36 -7.376 -1.592 7.308 1.00 0.00 N ATOM 594 CZ ARG A 36 -8.627 -1.208 7.534 1.00 0.00 C ATOM 595 NH1 ARG A 36 -8.956 0.074 7.447 1.00 0.00 N ATOM 596 NH2 ARG A 36 -9.552 -2.106 7.848 1.00 0.00 N ATOM 0 H ARG A 36 -5.304 -2.965 2.950 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.132 -0.799 3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.781 -2.167 4.909 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.569 -0.926 4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.991 0.802 5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.440 -0.160 5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.338 -1.159 7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.333 0.195 7.619 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.156 -2.585 7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.248 0.767 7.206 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.917 0.367 7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.303 -3.093 7.916 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.512 -1.810 8.021 1.00 0.00 H new ATOM 610 N LEU A 37 -4.099 -0.172 1.973 1.00 0.00 N ATOM 611 CA LEU A 37 -3.271 0.829 1.310 1.00 0.00 C ATOM 612 C LEU A 37 -3.921 1.300 0.012 1.00 0.00 C ATOM 613 O LEU A 37 -3.958 2.496 -0.275 1.00 0.00 O ATOM 614 CB LEU A 37 -1.882 0.259 1.020 1.00 0.00 C ATOM 615 CG LEU A 37 -1.037 -0.105 2.241 1.00 0.00 C ATOM 616 CD1 LEU A 37 -0.067 -1.227 1.905 1.00 0.00 C ATOM 617 CD2 LEU A 37 -0.286 1.116 2.753 1.00 0.00 C ATOM 0 H LEU A 37 -3.672 -1.096 2.039 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.174 1.685 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.999 -0.633 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.330 0.986 0.425 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.704 -0.454 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.525 -1.472 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.625 -2.107 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.595 -0.907 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.310 0.838 3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.370 1.495 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.000 1.890 3.035 1.00 0.00 H new ATOM 629 N GLN A 38 -4.433 0.352 -0.765 1.00 0.00 N ATOM 630 CA GLN A 38 -5.083 0.671 -2.031 1.00 0.00 C ATOM 631 C GLN A 38 -6.403 1.399 -1.797 1.00 0.00 C ATOM 632 O GLN A 38 -6.682 2.417 -2.429 1.00 0.00 O ATOM 633 CB GLN A 38 -5.326 -0.604 -2.840 1.00 0.00 C ATOM 634 CG GLN A 38 -4.145 -1.010 -3.706 1.00 0.00 C ATOM 635 CD GLN A 38 -4.042 -0.187 -4.975 1.00 0.00 C ATOM 636 OE1 GLN A 38 -4.520 0.947 -5.034 1.00 0.00 O ATOM 637 NE2 GLN A 38 -3.416 -0.754 -5.999 1.00 0.00 N ATOM 0 H GLN A 38 -4.411 -0.643 -0.541 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.421 1.329 -2.594 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.561 -1.419 -2.156 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.199 -0.460 -3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.225 -0.903 -3.132 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.236 -2.064 -3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.035 -1.696 -5.906 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.316 -0.248 -6.879 1.00 0.00 H new ATOM 646 N ALA A 39 -7.211 0.869 -0.885 1.00 0.00 N ATOM 647 CA ALA A 39 -8.501 1.469 -0.567 1.00 0.00 C ATOM 648 C ALA A 39 -8.338 2.918 -0.121 1.00 0.00 C ATOM 649 O ALA A 39 -9.096 3.794 -0.537 1.00 0.00 O ATOM 650 CB ALA A 39 -9.208 0.660 0.511 1.00 0.00 C ATOM 0 H ALA A 39 -6.995 0.026 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.110 1.461 -1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.170 1.119 0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.367 -0.358 0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.594 0.639 1.411 1.00 0.00 H new ATOM 656 N TYR A 40 -7.345 3.162 0.727 1.00 0.00 N ATOM 657 CA TYR A 40 -7.084 4.505 1.231 1.00 0.00 C ATOM 658 C TYR A 40 -6.565 5.413 0.121 1.00 0.00 C ATOM 659 O TYR A 40 -6.943 6.582 0.030 1.00 0.00 O ATOM 660 CB TYR A 40 -6.073 4.455 2.378 1.00 0.00 C ATOM 661 CG TYR A 40 -5.679 5.818 2.899 1.00 0.00 C ATOM 662 CD1 TYR A 40 -6.424 6.447 3.889 1.00 0.00 C ATOM 663 CD2 TYR A 40 -4.563 6.479 2.400 1.00 0.00 C ATOM 664 CE1 TYR A 40 -6.069 7.694 4.367 1.00 0.00 C ATOM 665 CE2 TYR A 40 -4.199 7.724 2.874 1.00 0.00 C ATOM 666 CZ TYR A 40 -4.955 8.328 3.857 1.00 0.00 C ATOM 667 OH TYR A 40 -4.597 9.569 4.330 1.00 0.00 O ATOM 0 H TYR A 40 -6.708 2.448 1.080 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.024 4.915 1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.494 3.870 3.196 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.178 3.932 2.040 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.296 5.953 4.292 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.970 6.011 1.628 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.660 8.170 5.135 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.327 8.222 2.477 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.789 9.875 3.867 1.00 0.00 H new ATOM 677 N LEU A 41 -5.697 4.867 -0.724 1.00 0.00 N ATOM 678 CA LEU A 41 -5.125 5.626 -1.830 1.00 0.00 C ATOM 679 C LEU A 41 -6.215 6.093 -2.791 1.00 0.00 C ATOM 680 O LEU A 41 -6.256 7.261 -3.176 1.00 0.00 O ATOM 681 CB LEU A 41 -4.098 4.777 -2.581 1.00 0.00 C ATOM 682 CG LEU A 41 -2.727 4.641 -1.918 1.00 0.00 C ATOM 683 CD1 LEU A 41 -1.965 3.462 -2.504 1.00 0.00 C ATOM 684 CD2 LEU A 41 -1.928 5.926 -2.076 1.00 0.00 C ATOM 0 H LEU A 41 -5.374 3.901 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.629 6.504 -1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.513 3.779 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.959 5.205 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.876 4.458 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.992 3.381 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.530 2.545 -2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.826 3.614 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.955 5.811 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.789 6.140 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.467 6.750 -1.608 1.00 0.00 H new ATOM 696 N GLU A 42 -7.096 5.173 -3.171 1.00 0.00 N ATOM 697 CA GLU A 42 -8.186 5.492 -4.085 1.00 0.00 C ATOM 698 C GLU A 42 -9.136 6.512 -3.463 1.00 0.00 C ATOM 699 O GLU A 42 -9.615 7.421 -4.140 1.00 0.00 O ATOM 700 CB GLU A 42 -8.955 4.223 -4.459 1.00 0.00 C ATOM 701 CG GLU A 42 -9.623 3.545 -3.274 1.00 0.00 C ATOM 702 CD GLU A 42 -10.610 2.474 -3.695 1.00 0.00 C ATOM 703 OE1 GLU A 42 -10.373 1.826 -4.736 1.00 0.00 O ATOM 704 OE2 GLU A 42 -11.620 2.285 -2.985 1.00 0.00 O ATOM 0 H GLU A 42 -7.076 4.202 -2.860 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.755 5.926 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.715 4.474 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.270 3.519 -4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.859 3.099 -2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.140 4.295 -2.675 1.00 0.00 H new ATOM 711 N GLU A 43 -9.404 6.352 -2.171 1.00 0.00 N ATOM 712 CA GLU A 43 -10.298 7.257 -1.459 1.00 0.00 C ATOM 713 C GLU A 43 -9.769 8.688 -1.500 1.00 0.00 C ATOM 714 O GLU A 43 -10.518 9.632 -1.753 1.00 0.00 O ATOM 715 CB GLU A 43 -10.466 6.806 -0.007 1.00 0.00 C ATOM 716 CG GLU A 43 -11.462 5.672 0.167 1.00 0.00 C ATOM 717 CD GLU A 43 -12.841 6.021 -0.359 1.00 0.00 C ATOM 718 OE1 GLU A 43 -13.651 6.567 0.418 1.00 0.00 O ATOM 719 OE2 GLU A 43 -13.110 5.747 -1.548 1.00 0.00 O ATOM 0 H GLU A 43 -9.015 5.604 -1.596 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.269 7.232 -1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.497 6.490 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.788 7.657 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.093 4.787 -0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.534 5.416 1.224 1.00 0.00 H new ATOM 726 N HIS A 44 -8.472 8.841 -1.250 1.00 0.00 N ATOM 727 CA HIS A 44 -7.842 10.156 -1.259 1.00 0.00 C ATOM 728 C HIS A 44 -6.969 10.332 -2.498 1.00 0.00 C ATOM 729 O HIS A 44 -5.878 10.897 -2.425 1.00 0.00 O ATOM 730 CB HIS A 44 -7.001 10.350 0.003 1.00 0.00 C ATOM 731 CG HIS A 44 -7.739 10.036 1.269 1.00 0.00 C ATOM 732 ND1 HIS A 44 -8.280 8.877 1.713 1.00 0.00 N flip ATOM 733 CD2 HIS A 44 -7.991 10.975 2.246 1.00 0.00 C flip ATOM 734 CE1 HIS A 44 -8.844 9.135 2.938 1.00 0.00 C flip ATOM 735 NE2 HIS A 44 -8.655 10.407 3.237 1.00 0.00 N flip ATOM 0 H HIS A 44 -7.838 8.071 -1.039 1.00 0.00 H new ATOM 0 HA HIS A 44 -8.630 10.909 -1.281 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -6.116 9.716 -0.059 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -6.652 11.382 0.042 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -8.270 7.980 1.228 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.693 12.012 2.208 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -9.359 8.415 3.556 1.00 0.00 H new ATOM 743 N ALA A 45 -7.457 9.844 -3.633 1.00 0.00 N ATOM 744 CA ALA A 45 -6.722 9.949 -4.888 1.00 0.00 C ATOM 745 C ALA A 45 -6.151 11.350 -5.075 1.00 0.00 C ATOM 746 O ALA A 45 -5.041 11.516 -5.579 1.00 0.00 O ATOM 747 CB ALA A 45 -7.621 9.582 -6.059 1.00 0.00 C ATOM 0 H ALA A 45 -8.358 9.372 -3.710 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.888 9.248 -4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.059 9.665 -6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.975 8.558 -5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.474 10.260 -6.089 1.00 0.00 H new ATOM 753 N GLU A 46 -6.918 12.356 -4.665 1.00 0.00 N ATOM 754 CA GLU A 46 -6.488 13.744 -4.790 1.00 0.00 C ATOM 755 C GLU A 46 -5.039 13.906 -4.341 1.00 0.00 C ATOM 756 O GLU A 46 -4.224 14.506 -5.043 1.00 0.00 O ATOM 757 CB GLU A 46 -7.395 14.658 -3.963 1.00 0.00 C ATOM 758 CG GLU A 46 -7.339 16.116 -4.387 1.00 0.00 C ATOM 759 CD GLU A 46 -6.217 16.878 -3.710 1.00 0.00 C ATOM 760 OE1 GLU A 46 -6.327 17.141 -2.494 1.00 0.00 O ATOM 761 OE2 GLU A 46 -5.227 17.211 -4.396 1.00 0.00 O ATOM 0 H GLU A 46 -7.839 12.236 -4.244 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.559 14.027 -5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.423 14.304 -4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.113 14.583 -2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.210 16.171 -5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.290 16.595 -4.155 1.00 0.00 H new ATOM 768 N SER A 47 -4.725 13.369 -3.167 1.00 0.00 N ATOM 769 CA SER A 47 -3.375 13.458 -2.621 1.00 0.00 C ATOM 770 C SER A 47 -2.357 12.866 -3.592 1.00 0.00 C ATOM 771 O SER A 47 -2.504 11.733 -4.048 1.00 0.00 O ATOM 772 CB SER A 47 -3.297 12.732 -1.277 1.00 0.00 C ATOM 773 OG SER A 47 -2.268 13.271 -0.466 1.00 0.00 O ATOM 0 H SER A 47 -5.387 12.867 -2.575 1.00 0.00 H new ATOM 0 HA SER A 47 -3.138 14.511 -2.471 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.253 12.814 -0.760 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.115 11.670 -1.444 1.00 0.00 H new ATOM 0 HG SER A 47 -2.240 12.791 0.388 1.00 0.00 H new ATOM 779 N GLY A 48 -1.324 13.643 -3.903 1.00 0.00 N ATOM 780 CA GLY A 48 -0.297 13.181 -4.817 1.00 0.00 C ATOM 781 C GLY A 48 1.091 13.244 -4.210 1.00 0.00 C ATOM 782 O GLY A 48 1.839 14.200 -4.416 1.00 0.00 O ATOM 0 H GLY A 48 -1.180 14.585 -3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.514 12.155 -5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.322 13.787 -5.723 1.00 0.00 H new ATOM 786 N PRO A 49 1.452 12.208 -3.439 1.00 0.00 N ATOM 787 CA PRO A 49 2.760 12.127 -2.783 1.00 0.00 C ATOM 788 C PRO A 49 3.895 11.908 -3.778 1.00 0.00 C ATOM 789 O PRO A 49 3.674 11.878 -4.988 1.00 0.00 O ATOM 790 CB PRO A 49 2.619 10.915 -1.858 1.00 0.00 C ATOM 791 CG PRO A 49 1.565 10.075 -2.493 1.00 0.00 C ATOM 792 CD PRO A 49 0.610 11.034 -3.149 1.00 0.00 C ATOM 0 HA PRO A 49 3.012 13.051 -2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.560 10.371 -1.771 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.331 11.217 -0.851 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.998 9.393 -3.225 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.054 9.462 -1.750 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.179 10.614 -4.058 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.221 11.288 -2.490 1.00 0.00 H new ATOM 800 N SER A 50 5.109 11.757 -3.259 1.00 0.00 N ATOM 801 CA SER A 50 6.280 11.545 -4.103 1.00 0.00 C ATOM 802 C SER A 50 6.606 10.059 -4.215 1.00 0.00 C ATOM 803 O SER A 50 5.999 9.226 -3.542 1.00 0.00 O ATOM 804 CB SER A 50 7.484 12.302 -3.540 1.00 0.00 C ATOM 805 OG SER A 50 7.883 11.768 -2.289 1.00 0.00 O ATOM 0 H SER A 50 5.308 11.777 -2.259 1.00 0.00 H new ATOM 0 HA SER A 50 6.054 11.926 -5.099 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.314 12.246 -4.244 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.233 13.357 -3.425 1.00 0.00 H new ATOM 0 HG SER A 50 8.655 12.268 -1.951 1.00 0.00 H new ATOM 811 N SER A 51 7.569 9.734 -5.072 1.00 0.00 N ATOM 812 CA SER A 51 7.975 8.349 -5.277 1.00 0.00 C ATOM 813 C SER A 51 9.034 7.936 -4.260 1.00 0.00 C ATOM 814 O SER A 51 10.042 7.324 -4.609 1.00 0.00 O ATOM 815 CB SER A 51 8.513 8.157 -6.696 1.00 0.00 C ATOM 816 OG SER A 51 8.562 6.784 -7.042 1.00 0.00 O ATOM 0 H SER A 51 8.082 10.412 -5.636 1.00 0.00 H new ATOM 0 HA SER A 51 7.098 7.716 -5.140 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.879 8.691 -7.404 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.510 8.590 -6.772 1.00 0.00 H new ATOM 0 HG SER A 51 9.108 6.301 -6.387 1.00 0.00 H new ATOM 822 N GLY A 52 8.797 8.277 -2.996 1.00 0.00 N ATOM 823 CA GLY A 52 9.738 7.935 -1.946 1.00 0.00 C ATOM 824 C GLY A 52 9.654 6.476 -1.545 1.00 0.00 C ATOM 825 O GLY A 52 10.662 5.770 -1.534 1.00 0.00 O ATOM 0 H GLY A 52 7.970 8.784 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.750 8.158 -2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.547 8.560 -1.074 1.00 0.00 H new TER 829 GLY A 52