USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 469 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 44 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 66 HIS : no HD1:sc= -0.208 K(o=-0.21,f=-2.3!) USER MOD Single : A 1 ALA N :NH3+ -139:sc= -5.61! (180deg=-10.9!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -146:sc=-0.00419 (180deg=-0.937) USER MOD Single : A 10 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-7!) USER MOD Single : A 11 ASN : amide:sc= -0.0954 X(o=-0.095,f=-0.088) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0896 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -6.61! K(o=-6.6!,f=-1.5) USER MOD Single : A 29 THR OG1 : rot 30:sc= 0.467 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -2.27! C(o=-2.3!,f=-3.6!) USER MOD Single : A 34 LYS NZ :NH3+ 178:sc= -1.02! (180deg=-1.2!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.31! K(o=-1.3!,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.78! C(o=-2.8!,f=-4.1!) USER MOD Single : A 56 ASN : amide:sc= -4.03! K(o=-4!,f=-0.079) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.404 9.500 2.446 1.00 0.00 N ATOM 2 CA ALA A 1 -5.704 9.405 3.903 1.00 0.00 C ATOM 3 C ALA A 1 -4.818 8.331 4.536 1.00 0.00 C ATOM 4 O ALA A 1 -3.623 8.504 4.677 1.00 0.00 O ATOM 5 CB ALA A 1 -7.175 9.034 4.098 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.391 10.499 2.159 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.476 9.072 2.254 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.136 8.994 1.907 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.506 10.366 4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.395 8.964 5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.806 9.799 3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.374 8.073 3.623 1.00 0.00 H new ATOM 13 N ARG A 2 -5.396 7.223 4.919 1.00 0.00 N ATOM 14 CA ARG A 2 -4.592 6.133 5.544 1.00 0.00 C ATOM 15 C ARG A 2 -4.829 4.828 4.781 1.00 0.00 C ATOM 16 O ARG A 2 -5.951 4.460 4.497 1.00 0.00 O ATOM 17 CB ARG A 2 -5.030 5.956 7.000 1.00 0.00 C ATOM 18 CG ARG A 2 -4.143 4.912 7.677 1.00 0.00 C ATOM 19 CD ARG A 2 -4.651 4.650 9.096 1.00 0.00 C ATOM 20 NE ARG A 2 -4.601 5.915 9.883 1.00 0.00 N ATOM 21 CZ ARG A 2 -5.389 6.077 10.910 1.00 0.00 C ATOM 22 NH1 ARG A 2 -6.224 5.131 11.246 1.00 0.00 N ATOM 23 NH2 ARG A 2 -5.345 7.184 11.599 1.00 0.00 N ATOM 0 H ARG A 2 -6.392 7.026 4.825 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.533 6.390 5.508 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.960 6.906 7.530 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.073 5.644 7.041 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.149 3.987 7.101 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.111 5.262 7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.672 4.269 9.064 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.041 3.886 9.577 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.950 6.654 9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.260 4.267 10.706 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.841 5.256 12.049 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.694 7.924 11.335 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.961 7.310 12.402 1.00 0.00 H new ATOM 37 N ASP A 3 -3.782 4.120 4.451 1.00 0.00 N ATOM 38 CA ASP A 3 -3.958 2.839 3.712 1.00 0.00 C ATOM 39 C ASP A 3 -3.929 1.676 4.703 1.00 0.00 C ATOM 40 O ASP A 3 -3.114 1.639 5.604 1.00 0.00 O ATOM 41 CB ASP A 3 -2.830 2.668 2.696 1.00 0.00 C ATOM 42 CG ASP A 3 -2.905 3.786 1.655 1.00 0.00 C ATOM 43 OD1 ASP A 3 -3.940 4.428 1.576 1.00 0.00 O ATOM 44 OD2 ASP A 3 -1.925 3.981 0.954 1.00 0.00 O ATOM 0 H ASP A 3 -2.816 4.373 4.661 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.914 2.853 3.188 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.865 2.692 3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.910 1.697 2.208 1.00 0.00 H new ATOM 49 N ALA A 4 -4.811 0.729 4.546 1.00 0.00 N ATOM 50 CA ALA A 4 -4.836 -0.425 5.484 1.00 0.00 C ATOM 51 C ALA A 4 -4.211 -1.658 4.827 1.00 0.00 C ATOM 52 O ALA A 4 -3.255 -2.218 5.324 1.00 0.00 O ATOM 53 CB ALA A 4 -6.284 -0.736 5.867 1.00 0.00 C ATOM 0 H ALA A 4 -5.515 0.705 3.808 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.262 -0.169 6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.305 -1.582 6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.728 0.135 6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.852 -0.983 4.970 1.00 0.00 H new ATOM 59 N TYR A 5 -4.758 -2.096 3.726 1.00 0.00 N ATOM 60 CA TYR A 5 -4.213 -3.309 3.048 1.00 0.00 C ATOM 61 C TYR A 5 -3.582 -2.936 1.703 1.00 0.00 C ATOM 62 O TYR A 5 -3.247 -3.798 0.914 1.00 0.00 O ATOM 63 CB TYR A 5 -5.360 -4.290 2.804 1.00 0.00 C ATOM 64 CG TYR A 5 -6.183 -4.420 4.062 1.00 0.00 C ATOM 65 CD1 TYR A 5 -5.838 -5.369 5.031 1.00 0.00 C ATOM 66 CD2 TYR A 5 -7.292 -3.588 4.260 1.00 0.00 C ATOM 67 CE1 TYR A 5 -6.602 -5.486 6.199 1.00 0.00 C ATOM 68 CE2 TYR A 5 -8.055 -3.705 5.426 1.00 0.00 C ATOM 69 CZ TYR A 5 -7.711 -4.655 6.396 1.00 0.00 C ATOM 70 OH TYR A 5 -8.463 -4.770 7.547 1.00 0.00 O ATOM 0 H TYR A 5 -5.560 -1.666 3.265 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.449 -3.759 3.682 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.984 -3.940 1.982 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.965 -5.263 2.512 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.983 -6.011 4.878 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.558 -2.856 3.512 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -6.335 -6.217 6.948 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.910 -3.063 5.579 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.195 -4.119 7.526 1.00 0.00 H new ATOM 80 N ILE A 6 -3.426 -1.668 1.426 1.00 0.00 N ATOM 81 CA ILE A 6 -2.828 -1.256 0.122 1.00 0.00 C ATOM 82 C ILE A 6 -1.621 -0.345 0.357 1.00 0.00 C ATOM 83 O ILE A 6 -1.431 0.189 1.432 1.00 0.00 O ATOM 84 CB ILE A 6 -3.884 -0.516 -0.705 1.00 0.00 C ATOM 85 CG1 ILE A 6 -4.229 0.819 -0.037 1.00 0.00 C ATOM 86 CG2 ILE A 6 -5.148 -1.372 -0.804 1.00 0.00 C ATOM 87 CD1 ILE A 6 -5.334 1.514 -0.833 1.00 0.00 C ATOM 0 H ILE A 6 -3.687 -0.901 2.046 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.495 -2.143 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.487 -0.328 -1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.555 0.651 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.345 1.454 0.010 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.899 -0.845 -1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.909 -2.320 -1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.538 -1.562 0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.581 2.464 -0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.990 1.695 -1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.220 0.879 -0.856 1.00 0.00 H new ATOM 99 N ALA A 7 -0.806 -0.164 -0.648 1.00 0.00 N ATOM 100 CA ALA A 7 0.389 0.712 -0.501 1.00 0.00 C ATOM 101 C ALA A 7 0.442 1.685 -1.679 1.00 0.00 C ATOM 102 O ALA A 7 1.180 2.651 -1.669 1.00 0.00 O ATOM 103 CB ALA A 7 1.656 -0.145 -0.491 1.00 0.00 C ATOM 0 H ALA A 7 -0.919 -0.588 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 7 0.324 1.267 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.529 0.498 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.615 -0.845 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.727 -0.700 -1.426 1.00 0.00 H new ATOM 109 N LYS A 8 -0.337 1.436 -2.697 1.00 0.00 N ATOM 110 CA LYS A 8 -0.337 2.339 -3.878 1.00 0.00 C ATOM 111 C LYS A 8 -1.575 3.242 -3.821 1.00 0.00 C ATOM 112 O LYS A 8 -2.583 2.881 -3.246 1.00 0.00 O ATOM 113 CB LYS A 8 -0.366 1.505 -5.165 1.00 0.00 C ATOM 114 CG LYS A 8 0.073 0.064 -4.868 1.00 0.00 C ATOM 115 CD LYS A 8 1.517 0.058 -4.360 1.00 0.00 C ATOM 116 CE LYS A 8 2.426 -0.549 -5.429 1.00 0.00 C ATOM 117 NZ LYS A 8 3.851 -0.309 -5.065 1.00 0.00 N ATOM 0 H LYS A 8 -0.975 0.642 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 8 0.564 2.952 -3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.371 1.508 -5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.294 1.949 -5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.587 -0.381 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.008 -0.544 -5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.837 1.074 -4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.588 -0.517 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.237 -1.619 -5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.208 -0.106 -6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.411 -0.168 -5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.918 0.539 -4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.219 -1.130 -4.544 1.00 0.00 H new ATOM 131 N PRO A 9 -1.499 4.410 -4.406 1.00 0.00 N ATOM 132 CA PRO A 9 -2.633 5.381 -4.411 1.00 0.00 C ATOM 133 C PRO A 9 -3.867 4.852 -5.150 1.00 0.00 C ATOM 134 O PRO A 9 -4.988 5.146 -4.783 1.00 0.00 O ATOM 135 CB PRO A 9 -2.072 6.615 -5.126 1.00 0.00 C ATOM 136 CG PRO A 9 -0.879 6.137 -5.886 1.00 0.00 C ATOM 137 CD PRO A 9 -0.330 4.933 -5.126 1.00 0.00 C ATOM 0 HA PRO A 9 -2.977 5.585 -3.397 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.814 7.050 -5.796 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.795 7.390 -4.411 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.154 5.860 -6.904 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.127 6.923 -5.961 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.088 4.189 -5.804 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.466 5.222 -4.440 1.00 0.00 H new ATOM 145 N HIS A 10 -3.675 4.084 -6.190 1.00 0.00 N ATOM 146 CA HIS A 10 -4.843 3.550 -6.947 1.00 0.00 C ATOM 147 C HIS A 10 -4.659 2.054 -7.209 1.00 0.00 C ATOM 148 O HIS A 10 -5.466 1.429 -7.867 1.00 0.00 O ATOM 149 CB HIS A 10 -4.960 4.288 -8.283 1.00 0.00 C ATOM 150 CG HIS A 10 -5.032 5.769 -8.033 1.00 0.00 C ATOM 151 ND1 HIS A 10 -6.141 6.369 -7.453 1.00 0.00 N ATOM 152 CD2 HIS A 10 -4.140 6.785 -8.280 1.00 0.00 C ATOM 153 CE1 HIS A 10 -5.891 7.690 -7.370 1.00 0.00 C ATOM 154 NE2 HIS A 10 -4.687 7.992 -7.860 1.00 0.00 N ATOM 0 H HIS A 10 -2.761 3.804 -6.547 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.749 3.701 -6.360 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.103 4.056 -8.915 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.849 3.955 -8.818 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.166 6.664 -8.730 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.579 8.414 -6.958 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.258 8.916 -7.915 1.00 0.00 H new ATOM 163 N ASN A 11 -3.601 1.475 -6.706 1.00 0.00 N ATOM 164 CA ASN A 11 -3.366 0.021 -6.936 1.00 0.00 C ATOM 165 C ASN A 11 -3.035 -0.667 -5.610 1.00 0.00 C ATOM 166 O ASN A 11 -2.800 -0.023 -4.606 1.00 0.00 O ATOM 167 CB ASN A 11 -2.202 -0.153 -7.911 1.00 0.00 C ATOM 168 CG ASN A 11 -2.503 0.613 -9.200 1.00 0.00 C ATOM 169 OD1 ASN A 11 -3.151 0.098 -10.091 1.00 0.00 O ATOM 170 ND2 ASN A 11 -2.064 1.835 -9.334 1.00 0.00 N ATOM 0 H ASN A 11 -2.890 1.946 -6.146 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.265 -0.430 -7.356 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.279 0.215 -7.463 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.051 -1.210 -8.130 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.264 2.358 -10.186 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.521 2.267 -8.586 1.00 0.00 H new ATOM 177 N CYS A 12 -3.021 -1.973 -5.602 1.00 0.00 N ATOM 178 CA CYS A 12 -2.711 -2.718 -4.348 1.00 0.00 C ATOM 179 C CYS A 12 -1.398 -3.486 -4.521 1.00 0.00 C ATOM 180 O CYS A 12 -0.776 -3.442 -5.564 1.00 0.00 O ATOM 181 CB CYS A 12 -3.841 -3.706 -4.053 1.00 0.00 C ATOM 182 SG CYS A 12 -5.426 -2.832 -4.069 1.00 0.00 S ATOM 0 H CYS A 12 -3.212 -2.559 -6.415 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.614 -2.014 -3.521 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.845 -4.503 -4.797 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.683 -4.177 -3.083 1.00 0.00 H new ATOM 187 N VAL A 13 -0.973 -4.191 -3.508 1.00 0.00 N ATOM 188 CA VAL A 13 0.300 -4.959 -3.618 1.00 0.00 C ATOM 189 C VAL A 13 -0.016 -6.406 -4.001 1.00 0.00 C ATOM 190 O VAL A 13 -0.914 -7.020 -3.462 1.00 0.00 O ATOM 191 CB VAL A 13 1.030 -4.934 -2.273 1.00 0.00 C ATOM 192 CG1 VAL A 13 2.378 -5.645 -2.409 1.00 0.00 C ATOM 193 CG2 VAL A 13 1.261 -3.483 -1.848 1.00 0.00 C ATOM 0 H VAL A 13 -1.451 -4.268 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 13 0.934 -4.509 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 13 0.426 -5.443 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.897 -5.627 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.215 -6.679 -2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.983 -5.137 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.781 -3.463 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.866 -2.976 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.301 -2.975 -1.751 1.00 0.00 H new ATOM 203 N TYR A 14 0.712 -6.952 -4.936 1.00 0.00 N ATOM 204 CA TYR A 14 0.450 -8.357 -5.361 1.00 0.00 C ATOM 205 C TYR A 14 0.748 -9.308 -4.202 1.00 0.00 C ATOM 206 O TYR A 14 -0.010 -10.213 -3.919 1.00 0.00 O ATOM 207 CB TYR A 14 1.344 -8.702 -6.554 1.00 0.00 C ATOM 208 CG TYR A 14 2.771 -8.868 -6.086 1.00 0.00 C ATOM 209 CD1 TYR A 14 3.590 -7.743 -5.931 1.00 0.00 C ATOM 210 CD2 TYR A 14 3.273 -10.143 -5.809 1.00 0.00 C ATOM 211 CE1 TYR A 14 4.913 -7.896 -5.498 1.00 0.00 C ATOM 212 CE2 TYR A 14 4.596 -10.296 -5.377 1.00 0.00 C ATOM 213 CZ TYR A 14 5.416 -9.171 -5.221 1.00 0.00 C ATOM 214 OH TYR A 14 6.720 -9.322 -4.795 1.00 0.00 O ATOM 0 H TYR A 14 1.477 -6.486 -5.424 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.596 -8.461 -5.650 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.997 -9.620 -7.028 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.286 -7.914 -7.305 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.202 -6.758 -6.145 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.640 -11.010 -5.928 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.545 -7.029 -5.378 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.984 -11.281 -5.164 1.00 0.00 H new ATOM 0 HH TYR A 14 6.908 -10.272 -4.647 1.00 0.00 H new ATOM 224 N GLU A 15 1.845 -9.103 -3.526 1.00 0.00 N ATOM 225 CA GLU A 15 2.194 -9.988 -2.379 1.00 0.00 C ATOM 226 C GLU A 15 3.459 -9.458 -1.707 1.00 0.00 C ATOM 227 O GLU A 15 4.562 -9.739 -2.133 1.00 0.00 O ATOM 228 CB GLU A 15 2.455 -11.412 -2.879 1.00 0.00 C ATOM 229 CG GLU A 15 2.610 -12.351 -1.680 1.00 0.00 C ATOM 230 CD GLU A 15 2.971 -13.753 -2.173 1.00 0.00 C ATOM 231 OE1 GLU A 15 3.103 -13.922 -3.374 1.00 0.00 O ATOM 232 OE2 GLU A 15 3.108 -14.634 -1.341 1.00 0.00 O ATOM 0 H GLU A 15 2.516 -8.359 -3.719 1.00 0.00 H new ATOM 0 HA GLU A 15 1.367 -10.000 -1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.631 -11.744 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.356 -11.435 -3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.386 -11.978 -1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.683 -12.383 -1.107 1.00 0.00 H new ATOM 239 N CYS A 16 3.316 -8.700 -0.657 1.00 0.00 N ATOM 240 CA CYS A 16 4.522 -8.170 0.030 1.00 0.00 C ATOM 241 C CYS A 16 5.287 -9.342 0.646 1.00 0.00 C ATOM 242 O CYS A 16 4.705 -10.227 1.240 1.00 0.00 O ATOM 243 CB CYS A 16 4.100 -7.188 1.124 1.00 0.00 C ATOM 244 SG CYS A 16 5.046 -7.520 2.632 1.00 0.00 S ATOM 0 H CYS A 16 2.422 -8.427 -0.248 1.00 0.00 H new ATOM 0 HA CYS A 16 5.160 -7.647 -0.682 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.271 -6.163 0.793 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.033 -7.285 1.323 1.00 0.00 H new ATOM 249 N PHE A 17 6.583 -9.363 0.494 1.00 0.00 N ATOM 250 CA PHE A 17 7.384 -10.488 1.052 1.00 0.00 C ATOM 251 C PHE A 17 8.196 -9.991 2.253 1.00 0.00 C ATOM 252 O PHE A 17 7.780 -9.096 2.962 1.00 0.00 O ATOM 253 CB PHE A 17 8.314 -11.027 -0.041 1.00 0.00 C ATOM 254 CG PHE A 17 9.611 -10.253 -0.048 1.00 0.00 C ATOM 255 CD1 PHE A 17 9.620 -8.902 -0.414 1.00 0.00 C ATOM 256 CD2 PHE A 17 10.804 -10.887 0.319 1.00 0.00 C ATOM 257 CE1 PHE A 17 10.823 -8.187 -0.415 1.00 0.00 C ATOM 258 CE2 PHE A 17 12.006 -10.172 0.319 1.00 0.00 C ATOM 259 CZ PHE A 17 12.016 -8.823 -0.048 1.00 0.00 C ATOM 0 H PHE A 17 7.122 -8.648 0.006 1.00 0.00 H new ATOM 0 HA PHE A 17 6.725 -11.289 1.387 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.514 -12.085 0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.829 -10.947 -1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 17 8.700 -8.412 -0.695 1.00 0.00 H new ATOM 0 HD2 PHE A 17 10.796 -11.929 0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 17 10.832 -7.145 -0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.926 -10.662 0.602 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.944 -8.271 -0.049 1.00 0.00 H new ATOM 269 N ASP A 18 9.343 -10.563 2.495 1.00 0.00 N ATOM 270 CA ASP A 18 10.162 -10.116 3.656 1.00 0.00 C ATOM 271 C ASP A 18 10.437 -8.617 3.536 1.00 0.00 C ATOM 272 O ASP A 18 10.830 -8.127 2.496 1.00 0.00 O ATOM 273 CB ASP A 18 11.488 -10.880 3.673 1.00 0.00 C ATOM 274 CG ASP A 18 12.249 -10.552 4.960 1.00 0.00 C ATOM 275 OD1 ASP A 18 11.688 -9.866 5.799 1.00 0.00 O ATOM 276 OD2 ASP A 18 13.379 -10.993 5.085 1.00 0.00 O ATOM 0 H ASP A 18 9.747 -11.318 1.941 1.00 0.00 H new ATOM 0 HA ASP A 18 9.620 -10.314 4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.303 -11.952 3.610 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.088 -10.609 2.804 1.00 0.00 H new ATOM 281 N ALA A 19 10.225 -7.886 4.595 1.00 0.00 N ATOM 282 CA ALA A 19 10.462 -6.416 4.553 1.00 0.00 C ATOM 283 C ALA A 19 11.965 -6.135 4.491 1.00 0.00 C ATOM 284 O ALA A 19 12.393 -4.999 4.530 1.00 0.00 O ATOM 285 CB ALA A 19 9.872 -5.770 5.807 1.00 0.00 C ATOM 0 H ALA A 19 9.896 -8.245 5.491 1.00 0.00 H new ATOM 0 HA ALA A 19 9.983 -5.999 3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.045 -4.694 5.778 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.800 -5.965 5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.350 -6.190 6.692 1.00 0.00 H new ATOM 291 N PHE A 20 12.770 -7.157 4.394 1.00 0.00 N ATOM 292 CA PHE A 20 14.242 -6.933 4.331 1.00 0.00 C ATOM 293 C PHE A 20 14.545 -5.908 3.237 1.00 0.00 C ATOM 294 O PHE A 20 15.341 -5.009 3.418 1.00 0.00 O ATOM 295 CB PHE A 20 14.948 -8.251 4.006 1.00 0.00 C ATOM 296 CG PHE A 20 16.443 -8.048 4.064 1.00 0.00 C ATOM 297 CD1 PHE A 20 17.114 -8.131 5.288 1.00 0.00 C ATOM 298 CD2 PHE A 20 17.157 -7.775 2.891 1.00 0.00 C ATOM 299 CE1 PHE A 20 18.501 -7.943 5.341 1.00 0.00 C ATOM 300 CE2 PHE A 20 18.543 -7.586 2.942 1.00 0.00 C ATOM 301 CZ PHE A 20 19.215 -7.670 4.168 1.00 0.00 C ATOM 0 H PHE A 20 12.475 -8.133 4.356 1.00 0.00 H new ATOM 0 HA PHE A 20 14.598 -6.562 5.292 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.647 -9.022 4.715 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.655 -8.598 3.015 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.563 -8.340 6.193 1.00 0.00 H new ATOM 0 HD2 PHE A 20 16.638 -7.710 1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 20 19.019 -8.009 6.286 1.00 0.00 H new ATOM 0 HE2 PHE A 20 19.094 -7.376 2.037 1.00 0.00 H new ATOM 0 HZ PHE A 20 20.284 -7.524 4.209 1.00 0.00 H new ATOM 311 N SER A 21 13.907 -6.028 2.105 1.00 0.00 N ATOM 312 CA SER A 21 14.150 -5.053 1.006 1.00 0.00 C ATOM 313 C SER A 21 13.256 -3.831 1.217 1.00 0.00 C ATOM 314 O SER A 21 13.184 -2.948 0.385 1.00 0.00 O ATOM 315 CB SER A 21 13.818 -5.698 -0.339 1.00 0.00 C ATOM 316 OG SER A 21 14.661 -6.824 -0.542 1.00 0.00 O ATOM 0 H SER A 21 13.228 -6.759 1.894 1.00 0.00 H new ATOM 0 HA SER A 21 15.198 -4.752 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.772 -6.004 -0.360 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.955 -4.977 -1.145 1.00 0.00 H new ATOM 0 HG SER A 21 14.449 -7.240 -1.403 1.00 0.00 H new ATOM 322 N SER A 22 12.568 -3.777 2.326 1.00 0.00 N ATOM 323 CA SER A 22 11.672 -2.617 2.591 1.00 0.00 C ATOM 324 C SER A 22 10.803 -2.356 1.362 1.00 0.00 C ATOM 325 O SER A 22 10.533 -1.226 1.008 1.00 0.00 O ATOM 326 CB SER A 22 12.516 -1.378 2.893 1.00 0.00 C ATOM 327 OG SER A 22 13.108 -1.514 4.178 1.00 0.00 O ATOM 0 H SER A 22 12.588 -4.486 3.059 1.00 0.00 H new ATOM 0 HA SER A 22 11.034 -2.838 3.447 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.290 -1.257 2.135 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.894 -0.483 2.859 1.00 0.00 H new ATOM 0 HG SER A 22 13.651 -0.722 4.373 1.00 0.00 H new ATOM 333 N TYR A 23 10.363 -3.394 0.702 1.00 0.00 N ATOM 334 CA TYR A 23 9.513 -3.203 -0.506 1.00 0.00 C ATOM 335 C TYR A 23 8.246 -2.430 -0.136 1.00 0.00 C ATOM 336 O TYR A 23 7.890 -1.458 -0.771 1.00 0.00 O ATOM 337 CB TYR A 23 9.118 -4.570 -1.066 1.00 0.00 C ATOM 338 CG TYR A 23 8.239 -4.379 -2.276 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.853 -4.262 -2.118 1.00 0.00 C ATOM 340 CD2 TYR A 23 8.807 -4.319 -3.554 1.00 0.00 C ATOM 341 CE1 TYR A 23 6.034 -4.085 -3.239 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.988 -4.143 -4.675 1.00 0.00 C ATOM 343 CZ TYR A 23 6.601 -4.026 -4.519 1.00 0.00 C ATOM 344 OH TYR A 23 5.795 -3.852 -5.625 1.00 0.00 O ATOM 0 H TYR A 23 10.556 -4.365 0.948 1.00 0.00 H new ATOM 0 HA TYR A 23 10.074 -2.641 -1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.009 -5.136 -1.336 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.591 -5.148 -0.307 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.416 -4.308 -1.131 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.876 -4.408 -3.675 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.965 -3.994 -3.117 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.426 -4.097 -5.661 1.00 0.00 H new ATOM 0 HH TYR A 23 6.349 -3.832 -6.433 1.00 0.00 H new ATOM 354 N CYS A 24 7.565 -2.854 0.890 1.00 0.00 N ATOM 355 CA CYS A 24 6.323 -2.144 1.304 1.00 0.00 C ATOM 356 C CYS A 24 6.692 -0.774 1.866 1.00 0.00 C ATOM 357 O CYS A 24 6.244 0.254 1.391 1.00 0.00 O ATOM 358 CB CYS A 24 5.606 -2.966 2.377 1.00 0.00 C ATOM 359 SG CYS A 24 3.968 -2.264 2.689 1.00 0.00 S ATOM 0 H CYS A 24 7.814 -3.662 1.461 1.00 0.00 H new ATOM 0 HA CYS A 24 5.664 -2.018 0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.512 -4.002 2.053 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.191 -2.971 3.297 1.00 0.00 H new ATOM 364 N ASN A 25 7.519 -0.752 2.872 1.00 0.00 N ATOM 365 CA ASN A 25 7.932 0.547 3.463 1.00 0.00 C ATOM 366 C ASN A 25 8.571 1.398 2.370 1.00 0.00 C ATOM 367 O ASN A 25 8.418 2.603 2.332 1.00 0.00 O ATOM 368 CB ASN A 25 8.946 0.298 4.582 1.00 0.00 C ATOM 369 CG ASN A 25 8.306 -0.588 5.651 1.00 0.00 C ATOM 370 OD1 ASN A 25 8.858 -0.770 6.717 1.00 0.00 O ATOM 371 ND2 ASN A 25 7.160 -1.163 5.401 1.00 0.00 N ATOM 0 H ASN A 25 7.926 -1.578 3.310 1.00 0.00 H new ATOM 0 HA ASN A 25 7.066 1.064 3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.838 -0.183 4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.263 1.245 5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.728 -1.765 6.102 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.697 -1.009 4.505 1.00 0.00 H new ATOM 378 N GLY A 26 9.282 0.773 1.472 1.00 0.00 N ATOM 379 CA GLY A 26 9.925 1.537 0.369 1.00 0.00 C ATOM 380 C GLY A 26 8.844 2.270 -0.423 1.00 0.00 C ATOM 381 O GLY A 26 9.013 3.406 -0.815 1.00 0.00 O ATOM 0 H GLY A 26 9.445 -0.234 1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.644 2.249 0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.478 0.862 -0.284 1.00 0.00 H new ATOM 385 N VAL A 27 7.728 1.631 -0.656 1.00 0.00 N ATOM 386 CA VAL A 27 6.639 2.302 -1.417 1.00 0.00 C ATOM 387 C VAL A 27 6.177 3.532 -0.637 1.00 0.00 C ATOM 388 O VAL A 27 6.034 4.609 -1.180 1.00 0.00 O ATOM 389 CB VAL A 27 5.464 1.336 -1.588 1.00 0.00 C ATOM 390 CG1 VAL A 27 4.273 2.080 -2.192 1.00 0.00 C ATOM 391 CG2 VAL A 27 5.877 0.195 -2.523 1.00 0.00 C ATOM 0 H VAL A 27 7.526 0.678 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 27 7.004 2.601 -2.399 1.00 0.00 H new ATOM 0 HB VAL A 27 5.183 0.930 -0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.437 1.391 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.979 2.894 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.553 2.486 -3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.042 -0.495 -2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.157 0.604 -3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.726 -0.337 -2.095 1.00 0.00 H new ATOM 401 N CYS A 28 5.957 3.380 0.639 1.00 0.00 N ATOM 402 CA CYS A 28 5.520 4.542 1.466 1.00 0.00 C ATOM 403 C CYS A 28 6.685 5.532 1.616 1.00 0.00 C ATOM 404 O CYS A 28 6.490 6.708 1.841 1.00 0.00 O ATOM 405 CB CYS A 28 5.085 4.048 2.852 1.00 0.00 C ATOM 406 SG CYS A 28 3.514 3.148 2.723 1.00 0.00 S ATOM 0 H CYS A 28 6.061 2.501 1.146 1.00 0.00 H new ATOM 0 HA CYS A 28 4.682 5.040 0.979 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.852 3.399 3.273 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.975 4.894 3.531 1.00 0.00 H new ATOM 411 N THR A 29 7.895 5.054 1.509 1.00 0.00 N ATOM 412 CA THR A 29 9.086 5.945 1.661 1.00 0.00 C ATOM 413 C THR A 29 9.116 7.024 0.569 1.00 0.00 C ATOM 414 O THR A 29 9.641 8.101 0.769 1.00 0.00 O ATOM 415 CB THR A 29 10.360 5.103 1.573 1.00 0.00 C ATOM 416 OG1 THR A 29 10.305 4.061 2.537 1.00 0.00 O ATOM 417 CG2 THR A 29 11.578 5.987 1.843 1.00 0.00 C ATOM 0 H THR A 29 8.113 4.076 1.321 1.00 0.00 H new ATOM 0 HA THR A 29 9.024 6.439 2.631 1.00 0.00 H new ATOM 0 HB THR A 29 10.442 4.671 0.576 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.371 3.808 2.693 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.485 5.386 1.780 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.620 6.785 1.102 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.499 6.421 2.840 1.00 0.00 H new ATOM 425 N LYS A 30 8.586 6.741 -0.588 1.00 0.00 N ATOM 426 CA LYS A 30 8.620 7.751 -1.689 1.00 0.00 C ATOM 427 C LYS A 30 8.048 9.087 -1.208 1.00 0.00 C ATOM 428 O LYS A 30 8.490 10.141 -1.619 1.00 0.00 O ATOM 429 CB LYS A 30 7.799 7.242 -2.876 1.00 0.00 C ATOM 430 CG LYS A 30 8.635 6.259 -3.693 1.00 0.00 C ATOM 431 CD LYS A 30 8.889 5.001 -2.864 1.00 0.00 C ATOM 432 CE LYS A 30 9.449 3.900 -3.764 1.00 0.00 C ATOM 433 NZ LYS A 30 10.870 4.203 -4.097 1.00 0.00 N ATOM 0 H LYS A 30 8.132 5.858 -0.821 1.00 0.00 H new ATOM 0 HA LYS A 30 9.655 7.902 -1.995 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.891 6.755 -2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.488 8.079 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.115 6.001 -4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.582 6.718 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.591 5.219 -2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.962 4.667 -2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.380 2.935 -3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.858 3.827 -4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.250 3.453 -4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.923 5.116 -4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.429 4.252 -3.221 1.00 0.00 H new ATOM 447 N ASN A 31 7.075 9.060 -0.344 1.00 0.00 N ATOM 448 CA ASN A 31 6.494 10.341 0.150 1.00 0.00 C ATOM 449 C ASN A 31 7.603 11.198 0.763 1.00 0.00 C ATOM 450 O ASN A 31 7.573 12.411 0.700 1.00 0.00 O ATOM 451 CB ASN A 31 5.437 10.053 1.213 1.00 0.00 C ATOM 452 CG ASN A 31 4.577 11.301 1.426 1.00 0.00 C ATOM 453 OD1 ASN A 31 3.519 11.232 2.019 1.00 0.00 O ATOM 454 ND2 ASN A 31 4.990 12.449 0.961 1.00 0.00 N ATOM 0 H ASN A 31 6.657 8.213 0.041 1.00 0.00 H new ATOM 0 HA ASN A 31 6.034 10.872 -0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.812 9.216 0.903 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.916 9.764 2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.424 13.287 1.096 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.878 12.508 0.463 1.00 0.00 H new ATOM 461 N GLY A 32 8.578 10.574 1.367 1.00 0.00 N ATOM 462 CA GLY A 32 9.685 11.352 1.996 1.00 0.00 C ATOM 463 C GLY A 32 9.447 11.438 3.504 1.00 0.00 C ATOM 464 O GLY A 32 10.194 12.067 4.227 1.00 0.00 O ATOM 0 H GLY A 32 8.656 9.561 1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.643 10.872 1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.732 12.352 1.566 1.00 0.00 H new ATOM 468 N ALA A 33 8.412 10.805 3.983 1.00 0.00 N ATOM 469 CA ALA A 33 8.121 10.840 5.445 1.00 0.00 C ATOM 470 C ALA A 33 7.003 9.849 5.750 1.00 0.00 C ATOM 471 O ALA A 33 6.918 9.303 6.833 1.00 0.00 O ATOM 472 CB ALA A 33 7.672 12.241 5.851 1.00 0.00 C ATOM 0 H ALA A 33 7.753 10.263 3.424 1.00 0.00 H new ATOM 0 HA ALA A 33 9.020 10.576 6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.461 12.260 6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.463 12.956 5.625 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.771 12.509 5.299 1.00 0.00 H new ATOM 478 N LYS A 34 6.149 9.610 4.798 1.00 0.00 N ATOM 479 CA LYS A 34 5.038 8.649 5.020 1.00 0.00 C ATOM 480 C LYS A 34 5.628 7.334 5.511 1.00 0.00 C ATOM 481 O LYS A 34 6.607 6.852 4.976 1.00 0.00 O ATOM 482 CB LYS A 34 4.306 8.434 3.697 1.00 0.00 C ATOM 483 CG LYS A 34 3.064 7.576 3.913 1.00 0.00 C ATOM 484 CD LYS A 34 2.315 7.454 2.587 1.00 0.00 C ATOM 485 CE LYS A 34 0.855 7.077 2.847 1.00 0.00 C ATOM 486 NZ LYS A 34 0.415 6.067 1.842 1.00 0.00 N ATOM 0 H LYS A 34 6.173 10.040 3.873 1.00 0.00 H new ATOM 0 HA LYS A 34 4.336 9.031 5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.022 9.396 3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.970 7.951 2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.346 6.589 4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.421 8.026 4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.365 8.397 2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.789 6.699 1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.746 6.675 3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.223 7.963 2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.567 5.786 2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.472 6.478 0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.032 5.232 1.896 1.00 0.00 H new ATOM 500 N SER A 35 5.052 6.751 6.529 1.00 0.00 N ATOM 501 CA SER A 35 5.600 5.471 7.052 1.00 0.00 C ATOM 502 C SER A 35 4.565 4.362 6.880 1.00 0.00 C ATOM 503 O SER A 35 3.386 4.563 7.094 1.00 0.00 O ATOM 504 CB SER A 35 5.931 5.627 8.537 1.00 0.00 C ATOM 505 OG SER A 35 6.873 6.679 8.701 1.00 0.00 O ATOM 0 H SER A 35 4.230 7.106 7.017 1.00 0.00 H new ATOM 0 HA SER A 35 6.504 5.214 6.500 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.025 5.844 9.102 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.337 4.695 8.931 1.00 0.00 H new ATOM 0 HG SER A 35 7.086 6.782 9.652 1.00 0.00 H new ATOM 511 N GLY A 36 4.990 3.191 6.492 1.00 0.00 N ATOM 512 CA GLY A 36 4.017 2.082 6.310 1.00 0.00 C ATOM 513 C GLY A 36 4.620 0.747 6.748 1.00 0.00 C ATOM 514 O GLY A 36 5.821 0.562 6.759 1.00 0.00 O ATOM 0 H GLY A 36 5.963 2.957 6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.116 2.285 6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.718 2.024 5.264 1.00 0.00 H new ATOM 518 N TYR A 37 3.777 -0.189 7.094 1.00 0.00 N ATOM 519 CA TYR A 37 4.262 -1.530 7.519 1.00 0.00 C ATOM 520 C TYR A 37 3.548 -2.591 6.681 1.00 0.00 C ATOM 521 O TYR A 37 2.454 -2.373 6.198 1.00 0.00 O ATOM 522 CB TYR A 37 3.935 -1.753 8.998 1.00 0.00 C ATOM 523 CG TYR A 37 4.431 -0.581 9.810 1.00 0.00 C ATOM 524 CD1 TYR A 37 5.803 -0.407 10.025 1.00 0.00 C ATOM 525 CD2 TYR A 37 3.516 0.332 10.346 1.00 0.00 C ATOM 526 CE1 TYR A 37 6.260 0.681 10.778 1.00 0.00 C ATOM 527 CE2 TYR A 37 3.973 1.420 11.099 1.00 0.00 C ATOM 528 CZ TYR A 37 5.345 1.595 11.315 1.00 0.00 C ATOM 529 OH TYR A 37 5.796 2.668 12.056 1.00 0.00 O ATOM 0 H TYR A 37 2.763 -0.078 7.100 1.00 0.00 H new ATOM 0 HA TYR A 37 5.341 -1.596 7.377 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.859 -1.870 9.129 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.401 -2.674 9.349 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.509 -1.112 9.610 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.458 0.197 10.179 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.319 0.816 10.945 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.267 2.124 11.513 1.00 0.00 H new ATOM 0 HH TYR A 37 5.032 3.205 12.353 1.00 0.00 H new ATOM 539 N CYS A 38 4.144 -3.737 6.504 1.00 0.00 N ATOM 540 CA CYS A 38 3.477 -4.797 5.696 1.00 0.00 C ATOM 541 C CYS A 38 2.816 -5.805 6.634 1.00 0.00 C ATOM 542 O CYS A 38 3.456 -6.397 7.480 1.00 0.00 O ATOM 543 CB CYS A 38 4.509 -5.502 4.818 1.00 0.00 C ATOM 544 SG CYS A 38 3.793 -7.017 4.134 1.00 0.00 S ATOM 0 H CYS A 38 5.059 -3.985 6.881 1.00 0.00 H new ATOM 0 HA CYS A 38 2.718 -4.346 5.057 1.00 0.00 H new ATOM 0 HB2 CYS A 38 4.826 -4.842 4.011 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.397 -5.740 5.403 1.00 0.00 H new ATOM 549 N GLN A 39 1.531 -5.994 6.492 1.00 0.00 N ATOM 550 CA GLN A 39 0.806 -6.952 7.374 1.00 0.00 C ATOM 551 C GLN A 39 0.085 -7.990 6.516 1.00 0.00 C ATOM 552 O GLN A 39 0.252 -8.043 5.313 1.00 0.00 O ATOM 553 CB GLN A 39 -0.217 -6.189 8.218 1.00 0.00 C ATOM 554 CG GLN A 39 0.510 -5.180 9.108 1.00 0.00 C ATOM 555 CD GLN A 39 -0.500 -4.496 10.030 1.00 0.00 C ATOM 556 OE1 GLN A 39 -0.135 -3.672 10.846 1.00 0.00 O ATOM 557 NE2 GLN A 39 -1.763 -4.806 9.938 1.00 0.00 N ATOM 0 H GLN A 39 0.950 -5.523 5.799 1.00 0.00 H new ATOM 0 HA GLN A 39 1.518 -7.455 8.029 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.927 -5.674 7.571 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.790 -6.884 8.831 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.275 -5.684 9.699 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.019 -4.437 8.494 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.070 -5.497 9.254 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.444 -4.357 10.550 1.00 0.00 H new ATOM 566 N ILE A 40 -0.715 -8.820 7.126 1.00 0.00 N ATOM 567 CA ILE A 40 -1.444 -9.857 6.346 1.00 0.00 C ATOM 568 C ILE A 40 -2.824 -9.328 5.965 1.00 0.00 C ATOM 569 O ILE A 40 -3.446 -8.588 6.701 1.00 0.00 O ATOM 570 CB ILE A 40 -1.608 -11.117 7.193 1.00 0.00 C ATOM 571 CG1 ILE A 40 -0.234 -11.615 7.643 1.00 0.00 C ATOM 572 CG2 ILE A 40 -2.296 -12.199 6.361 1.00 0.00 C ATOM 573 CD1 ILE A 40 -0.407 -12.811 8.579 1.00 0.00 C ATOM 0 H ILE A 40 -0.895 -8.825 8.130 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.877 -10.094 5.446 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.214 -10.890 8.070 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.363 -11.901 6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.305 -10.816 8.152 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.415 -13.100 6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.276 -11.844 6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.689 -12.425 5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.572 -13.166 8.900 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.987 -12.510 9.451 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.929 -13.611 8.054 1.00 0.00 H new ATOM 585 N LEU A 41 -3.306 -9.701 4.814 1.00 0.00 N ATOM 586 CA LEU A 41 -4.642 -9.224 4.371 1.00 0.00 C ATOM 587 C LEU A 41 -5.677 -9.528 5.457 1.00 0.00 C ATOM 588 O LEU A 41 -6.562 -8.739 5.725 1.00 0.00 O ATOM 589 CB LEU A 41 -5.018 -9.951 3.080 1.00 0.00 C ATOM 590 CG LEU A 41 -6.283 -9.332 2.486 1.00 0.00 C ATOM 591 CD1 LEU A 41 -5.988 -7.911 1.998 1.00 0.00 C ATOM 592 CD2 LEU A 41 -6.761 -10.184 1.308 1.00 0.00 C ATOM 0 H LEU A 41 -2.829 -10.319 4.158 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.617 -8.149 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.199 -9.886 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.181 -11.010 3.282 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.058 -9.295 3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.894 -7.476 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.649 -7.302 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.211 -7.943 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.663 -9.744 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.982 -10.221 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.979 -11.194 1.654 1.00 0.00 H new ATOM 604 N GLY A 42 -5.571 -10.668 6.084 1.00 0.00 N ATOM 605 CA GLY A 42 -6.542 -11.036 7.154 1.00 0.00 C ATOM 606 C GLY A 42 -7.070 -12.442 6.880 1.00 0.00 C ATOM 607 O GLY A 42 -6.959 -13.332 7.699 1.00 0.00 O ATOM 0 H GLY A 42 -4.849 -11.365 5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.059 -10.998 8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.365 -10.322 7.178 1.00 0.00 H new ATOM 611 N THR A 43 -7.629 -12.648 5.723 1.00 0.00 N ATOM 612 CA THR A 43 -8.153 -13.996 5.374 1.00 0.00 C ATOM 613 C THR A 43 -7.111 -14.721 4.528 1.00 0.00 C ATOM 614 O THR A 43 -6.507 -15.686 4.951 1.00 0.00 O ATOM 615 CB THR A 43 -9.454 -13.853 4.580 1.00 0.00 C ATOM 616 OG1 THR A 43 -10.381 -13.080 5.330 1.00 0.00 O ATOM 617 CG2 THR A 43 -10.044 -15.238 4.311 1.00 0.00 C ATOM 0 H THR A 43 -7.746 -11.938 5.000 1.00 0.00 H new ATOM 0 HA THR A 43 -8.354 -14.564 6.282 1.00 0.00 H new ATOM 0 HB THR A 43 -9.249 -13.357 3.631 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.214 -12.986 4.823 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.970 -15.135 3.746 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.332 -15.831 3.737 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.250 -15.736 5.258 1.00 0.00 H new ATOM 625 N TYR A 44 -6.889 -14.249 3.334 1.00 0.00 N ATOM 626 CA TYR A 44 -5.878 -14.886 2.448 1.00 0.00 C ATOM 627 C TYR A 44 -5.104 -13.790 1.715 1.00 0.00 C ATOM 628 O TYR A 44 -5.560 -12.670 1.599 1.00 0.00 O ATOM 629 CB TYR A 44 -6.583 -15.785 1.428 1.00 0.00 C ATOM 630 CG TYR A 44 -7.230 -14.929 0.366 1.00 0.00 C ATOM 631 CD1 TYR A 44 -8.508 -14.397 0.578 1.00 0.00 C ATOM 632 CD2 TYR A 44 -6.554 -14.669 -0.831 1.00 0.00 C ATOM 633 CE1 TYR A 44 -9.108 -13.604 -0.406 1.00 0.00 C ATOM 634 CE2 TYR A 44 -7.154 -13.874 -1.816 1.00 0.00 C ATOM 635 CZ TYR A 44 -8.431 -13.343 -1.603 1.00 0.00 C ATOM 636 OH TYR A 44 -9.024 -12.561 -2.575 1.00 0.00 O ATOM 0 H TYR A 44 -7.368 -13.444 2.932 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.192 -15.490 3.043 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.866 -16.468 0.973 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.335 -16.397 1.925 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.030 -14.599 1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -5.569 -15.081 -0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -10.093 -13.193 -0.242 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.631 -13.671 -2.739 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.419 -12.478 -3.342 1.00 0.00 H new ATOM 646 N GLY A 45 -3.939 -14.097 1.220 1.00 0.00 N ATOM 647 CA GLY A 45 -3.146 -13.061 0.497 1.00 0.00 C ATOM 648 C GLY A 45 -2.420 -12.173 1.511 1.00 0.00 C ATOM 649 O GLY A 45 -2.305 -12.506 2.674 1.00 0.00 O ATOM 0 H GLY A 45 -3.501 -15.016 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.425 -13.538 -0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.803 -12.456 -0.128 1.00 0.00 H new ATOM 653 N ASN A 46 -1.932 -11.043 1.078 1.00 0.00 N ATOM 654 CA ASN A 46 -1.216 -10.130 2.011 1.00 0.00 C ATOM 655 C ASN A 46 -1.589 -8.681 1.690 1.00 0.00 C ATOM 656 O ASN A 46 -2.077 -8.382 0.619 1.00 0.00 O ATOM 657 CB ASN A 46 0.294 -10.316 1.854 1.00 0.00 C ATOM 658 CG ASN A 46 1.009 -9.679 3.046 1.00 0.00 C ATOM 659 OD1 ASN A 46 0.995 -10.217 4.135 1.00 0.00 O ATOM 660 ND2 ASN A 46 1.633 -8.546 2.885 1.00 0.00 N ATOM 0 H ASN A 46 -1.999 -10.712 0.115 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.503 -10.362 3.037 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.537 -11.377 1.794 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.634 -9.858 0.925 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.110 -8.110 3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.644 -8.095 1.970 1.00 0.00 H new ATOM 667 N GLY A 47 -1.362 -7.775 2.605 1.00 0.00 N ATOM 668 CA GLY A 47 -1.706 -6.350 2.335 1.00 0.00 C ATOM 669 C GLY A 47 -0.621 -5.429 2.900 1.00 0.00 C ATOM 670 O GLY A 47 0.130 -5.799 3.782 1.00 0.00 O ATOM 0 H GLY A 47 -0.956 -7.960 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.807 -6.190 1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.669 -6.109 2.785 1.00 0.00 H new ATOM 674 N CYS A 48 -0.544 -4.223 2.403 1.00 0.00 N ATOM 675 CA CYS A 48 0.475 -3.263 2.905 1.00 0.00 C ATOM 676 C CYS A 48 -0.203 -2.246 3.824 1.00 0.00 C ATOM 677 O CYS A 48 -1.396 -2.029 3.747 1.00 0.00 O ATOM 678 CB CYS A 48 1.116 -2.532 1.724 1.00 0.00 C ATOM 679 SG CYS A 48 2.754 -3.229 1.394 1.00 0.00 S ATOM 0 H CYS A 48 -1.149 -3.862 1.665 1.00 0.00 H new ATOM 0 HA CYS A 48 1.245 -3.803 3.457 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.485 -2.625 0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.200 -1.468 1.944 1.00 0.00 H new ATOM 684 N TRP A 49 0.546 -1.624 4.695 1.00 0.00 N ATOM 685 CA TRP A 49 -0.055 -0.625 5.622 1.00 0.00 C ATOM 686 C TRP A 49 0.699 0.702 5.503 1.00 0.00 C ATOM 687 O TRP A 49 1.892 0.763 5.722 1.00 0.00 O ATOM 688 CB TRP A 49 0.059 -1.146 7.057 1.00 0.00 C ATOM 689 CG TRP A 49 -1.037 -0.569 7.892 1.00 0.00 C ATOM 690 CD1 TRP A 49 -1.000 0.639 8.500 1.00 0.00 C ATOM 691 CD2 TRP A 49 -2.325 -1.158 8.229 1.00 0.00 C ATOM 692 NE1 TRP A 49 -2.186 0.831 9.185 1.00 0.00 N ATOM 693 CE2 TRP A 49 -3.036 -0.249 9.049 1.00 0.00 C ATOM 694 CE3 TRP A 49 -2.941 -2.380 7.905 1.00 0.00 C ATOM 695 CZ2 TRP A 49 -4.313 -0.544 9.529 1.00 0.00 C ATOM 696 CZ3 TRP A 49 -4.225 -2.679 8.386 1.00 0.00 C ATOM 697 CH2 TRP A 49 -4.910 -1.763 9.197 1.00 0.00 C ATOM 0 H TRP A 49 1.550 -1.766 4.804 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.103 -0.469 5.366 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.000 -2.234 7.064 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.029 -0.876 7.476 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.179 1.339 8.457 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -2.406 1.668 9.725 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -2.422 -3.093 7.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.836 0.165 10.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -4.688 -3.620 8.130 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.898 -1.999 9.565 1.00 0.00 H new ATOM 708 N CYS A 50 0.012 1.767 5.171 1.00 0.00 N ATOM 709 CA CYS A 50 0.692 3.093 5.053 1.00 0.00 C ATOM 710 C CYS A 50 0.005 4.094 5.987 1.00 0.00 C ATOM 711 O CYS A 50 -1.205 4.142 6.071 1.00 0.00 O ATOM 712 CB CYS A 50 0.622 3.588 3.608 1.00 0.00 C ATOM 713 SG CYS A 50 2.125 4.526 3.228 1.00 0.00 S ATOM 0 H CYS A 50 -0.989 1.775 4.977 1.00 0.00 H new ATOM 0 HA CYS A 50 1.740 2.993 5.336 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.523 2.744 2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.258 4.215 3.468 1.00 0.00 H new ATOM 718 N ILE A 51 0.773 4.876 6.705 1.00 0.00 N ATOM 719 CA ILE A 51 0.168 5.855 7.654 1.00 0.00 C ATOM 720 C ILE A 51 0.528 7.293 7.265 1.00 0.00 C ATOM 721 O ILE A 51 1.668 7.611 6.971 1.00 0.00 O ATOM 722 CB ILE A 51 0.683 5.566 9.064 1.00 0.00 C ATOM 723 CG1 ILE A 51 0.301 4.136 9.451 1.00 0.00 C ATOM 724 CG2 ILE A 51 0.053 6.548 10.052 1.00 0.00 C ATOM 725 CD1 ILE A 51 1.530 3.405 9.992 1.00 0.00 C ATOM 0 H ILE A 51 1.793 4.877 6.673 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.917 5.752 7.618 1.00 0.00 H new ATOM 0 HB ILE A 51 1.767 5.678 9.089 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.487 4.151 10.204 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.096 3.608 8.584 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.421 6.340 11.057 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.319 7.567 9.772 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.031 6.438 10.033 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.256 2.387 10.267 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.304 3.378 9.225 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.908 3.929 10.870 1.00 0.00 H new ATOM 737 N ALA A 52 -0.451 8.161 7.279 1.00 0.00 N ATOM 738 CA ALA A 52 -0.220 9.593 6.931 1.00 0.00 C ATOM 739 C ALA A 52 -1.575 10.287 6.771 1.00 0.00 C ATOM 740 O ALA A 52 -2.539 9.683 6.344 1.00 0.00 O ATOM 741 CB ALA A 52 0.555 9.696 5.620 1.00 0.00 C ATOM 0 H ALA A 52 -1.415 7.933 7.521 1.00 0.00 H new ATOM 0 HA ALA A 52 0.358 10.069 7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.718 10.746 5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.517 9.194 5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.016 9.222 4.822 1.00 0.00 H new ATOM 747 N LEU A 53 -1.658 11.546 7.108 1.00 0.00 N ATOM 748 CA LEU A 53 -2.954 12.273 6.972 1.00 0.00 C ATOM 749 C LEU A 53 -2.732 13.585 6.215 1.00 0.00 C ATOM 750 O LEU A 53 -2.753 14.654 6.791 1.00 0.00 O ATOM 751 CB LEU A 53 -3.516 12.573 8.363 1.00 0.00 C ATOM 752 CG LEU A 53 -4.934 13.128 8.232 1.00 0.00 C ATOM 753 CD1 LEU A 53 -5.935 12.105 8.774 1.00 0.00 C ATOM 754 CD2 LEU A 53 -5.049 14.427 9.034 1.00 0.00 C ATOM 0 H LEU A 53 -0.885 12.103 7.472 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.661 11.654 6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.524 11.666 8.967 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.879 13.293 8.877 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.150 13.327 7.182 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.946 12.501 8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.854 11.179 8.204 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.719 11.905 9.824 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.060 14.824 8.941 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.833 14.227 10.083 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.336 15.156 8.649 1.00 0.00 H new ATOM 766 N PRO A 54 -2.521 13.497 4.929 1.00 0.00 N ATOM 767 CA PRO A 54 -2.291 14.684 4.063 1.00 0.00 C ATOM 768 C PRO A 54 -3.600 15.330 3.600 1.00 0.00 C ATOM 769 O PRO A 54 -4.169 16.161 4.279 1.00 0.00 O ATOM 770 CB PRO A 54 -1.540 14.098 2.871 1.00 0.00 C ATOM 771 CG PRO A 54 -2.023 12.687 2.756 1.00 0.00 C ATOM 772 CD PRO A 54 -2.476 12.248 4.154 1.00 0.00 C ATOM 0 HA PRO A 54 -1.753 15.475 4.585 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.747 14.660 1.960 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.462 14.133 3.029 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.847 12.619 2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.229 12.037 2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.452 11.764 4.122 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.780 11.533 4.592 1.00 0.00 H new ATOM 780 N ASP A 55 -4.077 14.950 2.447 1.00 0.00 N ATOM 781 CA ASP A 55 -5.347 15.537 1.931 1.00 0.00 C ATOM 782 C ASP A 55 -6.520 14.633 2.317 1.00 0.00 C ATOM 783 O ASP A 55 -7.623 14.792 1.833 1.00 0.00 O ATOM 784 CB ASP A 55 -5.273 15.653 0.407 1.00 0.00 C ATOM 785 CG ASP A 55 -4.207 16.680 0.024 1.00 0.00 C ATOM 786 OD1 ASP A 55 -3.762 17.400 0.902 1.00 0.00 O ATOM 787 OD2 ASP A 55 -3.852 16.729 -1.143 1.00 0.00 O ATOM 0 H ASP A 55 -3.642 14.257 1.838 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.492 16.527 2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.033 14.684 -0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.242 15.952 0.007 1.00 0.00 H new ATOM 792 N ASN A 56 -6.290 13.683 3.182 1.00 0.00 N ATOM 793 CA ASN A 56 -7.393 12.769 3.591 1.00 0.00 C ATOM 794 C ASN A 56 -7.887 11.990 2.370 1.00 0.00 C ATOM 795 O ASN A 56 -9.072 11.849 2.147 1.00 0.00 O ATOM 796 CB ASN A 56 -8.545 13.592 4.172 1.00 0.00 C ATOM 797 CG ASN A 56 -9.382 12.715 5.105 1.00 0.00 C ATOM 798 OD1 ASN A 56 -10.259 13.201 5.790 1.00 0.00 O ATOM 799 ND2 ASN A 56 -9.145 11.432 5.163 1.00 0.00 N ATOM 0 H ASN A 56 -5.388 13.501 3.622 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.029 12.071 4.344 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.153 14.450 4.718 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.168 13.983 3.368 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.696 10.839 5.783 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.409 11.023 4.588 1.00 0.00 H new ATOM 806 N VAL A 57 -6.982 11.481 1.579 1.00 0.00 N ATOM 807 CA VAL A 57 -7.391 10.709 0.374 1.00 0.00 C ATOM 808 C VAL A 57 -8.035 9.381 0.815 1.00 0.00 C ATOM 809 O VAL A 57 -7.392 8.576 1.458 1.00 0.00 O ATOM 810 CB VAL A 57 -6.150 10.406 -0.469 1.00 0.00 C ATOM 811 CG1 VAL A 57 -6.579 9.897 -1.846 1.00 0.00 C ATOM 812 CG2 VAL A 57 -5.323 11.682 -0.633 1.00 0.00 C ATOM 0 H VAL A 57 -5.975 11.567 1.717 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.106 11.289 -0.210 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.550 9.644 0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.695 9.681 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.169 8.988 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.179 10.658 -2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.439 11.468 -1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.924 12.443 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.016 12.045 0.348 1.00 0.00 H new ATOM 822 N PRO A 58 -9.284 9.132 0.474 1.00 0.00 N ATOM 823 CA PRO A 58 -9.972 7.872 0.850 1.00 0.00 C ATOM 824 C PRO A 58 -9.732 6.784 -0.194 1.00 0.00 C ATOM 825 O PRO A 58 -9.288 7.063 -1.291 1.00 0.00 O ATOM 826 CB PRO A 58 -11.440 8.277 0.869 1.00 0.00 C ATOM 827 CG PRO A 58 -11.558 9.318 -0.194 1.00 0.00 C ATOM 828 CD PRO A 58 -10.187 10.001 -0.304 1.00 0.00 C ATOM 0 HA PRO A 58 -9.621 7.460 1.796 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.089 7.425 0.663 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.730 8.671 1.843 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.843 8.868 -1.145 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.331 10.043 0.060 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.865 10.082 -1.342 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.213 11.013 0.101 1.00 0.00 H new ATOM 836 N ILE A 59 -10.013 5.552 0.127 1.00 0.00 N ATOM 837 CA ILE A 59 -9.788 4.466 -0.863 1.00 0.00 C ATOM 838 C ILE A 59 -11.134 3.941 -1.366 1.00 0.00 C ATOM 839 O ILE A 59 -12.018 3.629 -0.593 1.00 0.00 O ATOM 840 CB ILE A 59 -9.020 3.320 -0.209 1.00 0.00 C ATOM 841 CG1 ILE A 59 -7.793 3.864 0.530 1.00 0.00 C ATOM 842 CG2 ILE A 59 -8.564 2.355 -1.299 1.00 0.00 C ATOM 843 CD1 ILE A 59 -6.987 4.774 -0.402 1.00 0.00 C ATOM 0 H ILE A 59 -10.387 5.252 1.028 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.211 4.863 -1.699 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.665 2.808 0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.106 4.419 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.170 3.039 0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.013 1.530 -0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.434 1.965 -1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.918 2.880 -2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.116 5.158 0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.660 4.205 -1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.611 5.607 -0.726 1.00 0.00 H new ATOM 855 N ARG A 60 -11.286 3.834 -2.659 1.00 0.00 N ATOM 856 CA ARG A 60 -12.562 3.320 -3.230 1.00 0.00 C ATOM 857 C ARG A 60 -12.271 2.049 -4.029 1.00 0.00 C ATOM 858 O ARG A 60 -12.049 2.091 -5.223 1.00 0.00 O ATOM 859 CB ARG A 60 -13.195 4.371 -4.154 1.00 0.00 C ATOM 860 CG ARG A 60 -12.134 5.362 -4.653 1.00 0.00 C ATOM 861 CD ARG A 60 -11.146 4.641 -5.572 1.00 0.00 C ATOM 862 NE ARG A 60 -10.157 5.621 -6.103 1.00 0.00 N ATOM 863 CZ ARG A 60 -9.543 5.384 -7.230 1.00 0.00 C ATOM 864 NH1 ARG A 60 -9.794 4.287 -7.891 1.00 0.00 N ATOM 865 NH2 ARG A 60 -8.678 6.242 -7.696 1.00 0.00 N ATOM 0 H ARG A 60 -10.576 4.083 -3.347 1.00 0.00 H new ATOM 0 HA ARG A 60 -13.257 3.103 -2.419 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.668 3.878 -5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.979 4.908 -3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.612 6.182 -5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.605 5.800 -3.807 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.633 3.851 -5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.679 4.164 -6.394 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.960 6.477 -5.585 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.470 3.615 -7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.314 4.101 -8.772 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.481 7.099 -7.179 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.199 6.056 -8.577 1.00 0.00 H new ATOM 879 N ILE A 61 -12.262 0.918 -3.374 1.00 0.00 N ATOM 880 CA ILE A 61 -11.974 -0.362 -4.084 1.00 0.00 C ATOM 881 C ILE A 61 -13.119 -1.351 -3.852 1.00 0.00 C ATOM 882 O ILE A 61 -13.037 -2.218 -3.005 1.00 0.00 O ATOM 883 CB ILE A 61 -10.673 -0.956 -3.543 1.00 0.00 C ATOM 884 CG1 ILE A 61 -10.546 -0.622 -2.054 1.00 0.00 C ATOM 885 CG2 ILE A 61 -9.486 -0.360 -4.303 1.00 0.00 C ATOM 886 CD1 ILE A 61 -9.340 -1.355 -1.465 1.00 0.00 C ATOM 0 H ILE A 61 -12.442 0.826 -2.374 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.876 -0.170 -5.152 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.681 -2.038 -3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.431 0.454 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -11.454 -0.913 -1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.558 -0.783 -3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.579 -0.594 -5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.475 0.722 -4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.251 -1.116 -0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.474 -2.430 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.434 -1.042 -1.985 1.00 0.00 H new ATOM 898 N PRO A 62 -14.178 -1.218 -4.603 1.00 0.00 N ATOM 899 CA PRO A 62 -15.365 -2.114 -4.487 1.00 0.00 C ATOM 900 C PRO A 62 -14.981 -3.593 -4.589 1.00 0.00 C ATOM 901 O PRO A 62 -15.723 -4.468 -4.188 1.00 0.00 O ATOM 902 CB PRO A 62 -16.253 -1.711 -5.668 1.00 0.00 C ATOM 903 CG PRO A 62 -15.831 -0.326 -6.033 1.00 0.00 C ATOM 904 CD PRO A 62 -14.359 -0.197 -5.644 1.00 0.00 C ATOM 0 HA PRO A 62 -15.858 -2.006 -3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -16.123 -2.394 -6.507 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -17.307 -1.740 -5.393 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -15.966 -0.149 -7.100 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -16.436 0.414 -5.508 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.703 -0.375 -6.496 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -14.131 0.801 -5.269 1.00 0.00 H new ATOM 912 N GLY A 63 -13.825 -3.879 -5.123 1.00 0.00 N ATOM 913 CA GLY A 63 -13.391 -5.299 -5.251 1.00 0.00 C ATOM 914 C GLY A 63 -12.250 -5.399 -6.264 1.00 0.00 C ATOM 915 O GLY A 63 -11.586 -6.411 -6.369 1.00 0.00 O ATOM 0 H GLY A 63 -13.162 -3.190 -5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -13.065 -5.679 -4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.229 -5.918 -5.570 1.00 0.00 H new ATOM 919 N LYS A 64 -12.015 -4.355 -7.012 1.00 0.00 N ATOM 920 CA LYS A 64 -10.916 -4.389 -8.019 1.00 0.00 C ATOM 921 C LYS A 64 -9.587 -4.673 -7.319 1.00 0.00 C ATOM 922 O LYS A 64 -8.709 -5.311 -7.866 1.00 0.00 O ATOM 923 CB LYS A 64 -10.839 -3.040 -8.734 1.00 0.00 C ATOM 924 CG LYS A 64 -12.141 -2.790 -9.497 1.00 0.00 C ATOM 925 CD LYS A 64 -11.981 -1.562 -10.395 1.00 0.00 C ATOM 926 CE LYS A 64 -11.769 -0.320 -9.528 1.00 0.00 C ATOM 927 NZ LYS A 64 -12.121 0.899 -10.312 1.00 0.00 N ATOM 0 H LYS A 64 -12.537 -3.480 -6.969 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.116 -5.176 -8.747 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.671 -2.242 -8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.994 -3.029 -9.423 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.395 -3.663 -10.099 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.961 -2.636 -8.796 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.134 -1.698 -11.067 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.866 -1.436 -11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.386 -0.380 -8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.732 -0.266 -9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.977 1.744 -9.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.514 0.957 -11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.117 0.847 -10.606 1.00 0.00 H new ATOM 941 N CYS A 65 -9.429 -4.205 -6.111 1.00 0.00 N ATOM 942 CA CYS A 65 -8.155 -4.447 -5.376 1.00 0.00 C ATOM 943 C CYS A 65 -7.893 -5.952 -5.293 1.00 0.00 C ATOM 944 O CYS A 65 -6.762 -6.397 -5.316 1.00 0.00 O ATOM 945 CB CYS A 65 -8.267 -3.871 -3.963 1.00 0.00 C ATOM 946 SG CYS A 65 -6.688 -4.076 -3.100 1.00 0.00 S ATOM 0 H CYS A 65 -10.128 -3.665 -5.601 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.332 -3.963 -5.903 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -8.534 -2.815 -4.009 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.062 -4.377 -3.415 1.00 0.00 H new ATOM 951 N HIS A 66 -8.927 -6.741 -5.198 1.00 0.00 N ATOM 952 CA HIS A 66 -8.734 -8.216 -5.114 1.00 0.00 C ATOM 953 C HIS A 66 -8.166 -8.732 -6.438 1.00 0.00 C ATOM 954 O HIS A 66 -7.164 -9.428 -6.399 1.00 0.00 O ATOM 955 CB HIS A 66 -10.078 -8.893 -4.838 1.00 0.00 C ATOM 956 CG HIS A 66 -10.579 -8.476 -3.483 1.00 0.00 C ATOM 957 ND1 HIS A 66 -11.383 -7.359 -3.303 1.00 0.00 N ATOM 958 CD2 HIS A 66 -10.401 -9.016 -2.233 1.00 0.00 C ATOM 959 CE1 HIS A 66 -11.655 -7.263 -1.987 1.00 0.00 C ATOM 960 NE2 HIS A 66 -11.081 -8.247 -1.294 1.00 0.00 N ATOM 961 OXT HIS A 66 -8.741 -8.422 -7.467 1.00 0.00 O ATOM 0 H HIS A 66 -9.898 -6.428 -5.175 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.040 -8.445 -4.306 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.801 -8.617 -5.606 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.967 -9.977 -4.879 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -9.822 -9.901 -2.013 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.263 -6.486 -1.548 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.130 -8.403 -0.287 1.00 0.00 H new TER 970 HIS A 66