USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 473 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 30 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.6) USER MOD Set 1.2: A 31 SER OG : rot 117:sc= -0.0587 USER MOD Set 2.1: A 25 SER OG : rot 170:sc= -0.146 USER MOD Set 2.2: A 33 HIS : no HD1:sc= -4.52! C(o=-4.7!,f=-7.3!) USER MOD Set 3.1: A 15 THR OG1 : rot -106:sc= 0.442 USER MOD Set 3.2: A 17 SER OG : rot 180:sc= 0.409 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc=-0.00683 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 145:sc= -0.178 (180deg=-0.809) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0894 F(o=-0.79,f=-0.089) USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= -0.0229 (180deg=-0.778) USER MOD Single : A 18 ASN : amide:sc= -0.514 X(o=-0.51,f=-0.51) USER MOD Single : A 21 GLN : amide:sc= -0.613 X(o=-0.61,f=-0.5) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 170:sc= -0.548 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0208 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= 0.108 F(o=-1.5!,f=0.11) USER MOD Single : A 55 THR OG1 : rot 177:sc= -0.072! USER MOD Single : A 59 TYR OH : rot 180:sc=-0.00295 USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= -0.0346 (180deg=-0.516) USER MOD Single : A 65 SER OG : rot -44:sc= 0.545 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.49! C(o=-1.5!,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 20.254 13.940 -11.229 1.00 0.00 N ATOM 2 CA ASP A 1 19.024 13.342 -10.659 1.00 0.00 C ATOM 3 C ASP A 1 19.034 11.830 -10.858 1.00 0.00 C ATOM 4 O ASP A 1 18.753 11.343 -11.935 1.00 0.00 O ATOM 5 CB ASP A 1 17.786 13.916 -11.365 1.00 0.00 C ATOM 6 CG ASP A 1 16.534 13.211 -10.839 1.00 0.00 C ATOM 7 OD1 ASP A 1 16.082 13.627 -9.785 1.00 0.00 O ATOM 8 OD2 ASP A 1 16.103 12.296 -11.519 1.00 0.00 O ATOM 0 H1 ASP A 1 20.237 14.970 -11.088 1.00 0.00 H new ATOM 0 H2 ASP A 1 21.087 13.539 -10.753 1.00 0.00 H new ATOM 0 H3 ASP A 1 20.302 13.731 -12.247 1.00 0.00 H new ATOM 0 HA ASP A 1 18.990 13.576 -9.595 1.00 0.00 H new ATOM 0 HB2 ASP A 1 17.716 14.989 -11.186 1.00 0.00 H new ATOM 0 HB3 ASP A 1 17.870 13.777 -12.443 1.00 0.00 H new ATOM 15 N ASP A 2 19.361 11.118 -9.807 1.00 0.00 N ATOM 16 CA ASP A 2 19.398 9.631 -9.896 1.00 0.00 C ATOM 17 C ASP A 2 18.626 9.004 -8.741 1.00 0.00 C ATOM 18 O ASP A 2 19.037 9.081 -7.600 1.00 0.00 O ATOM 19 CB ASP A 2 20.864 9.179 -9.810 1.00 0.00 C ATOM 20 CG ASP A 2 21.193 8.298 -11.018 1.00 0.00 C ATOM 21 OD1 ASP A 2 20.833 7.134 -10.953 1.00 0.00 O ATOM 22 OD2 ASP A 2 21.786 8.840 -11.935 1.00 0.00 O ATOM 0 H ASP A 2 19.603 11.504 -8.895 1.00 0.00 H new ATOM 0 HA ASP A 2 18.943 9.317 -10.835 1.00 0.00 H new ATOM 0 HB2 ASP A 2 21.523 10.047 -9.788 1.00 0.00 H new ATOM 0 HB3 ASP A 2 21.033 8.627 -8.886 1.00 0.00 H new ATOM 27 N GLU A 3 17.518 8.393 -9.059 1.00 0.00 N ATOM 28 CA GLU A 3 16.705 7.754 -7.993 1.00 0.00 C ATOM 29 C GLU A 3 17.306 6.413 -7.586 1.00 0.00 C ATOM 30 O GLU A 3 16.633 5.401 -7.586 1.00 0.00 O ATOM 31 CB GLU A 3 15.290 7.514 -8.544 1.00 0.00 C ATOM 32 CG GLU A 3 14.623 8.864 -8.824 1.00 0.00 C ATOM 33 CD GLU A 3 13.572 9.143 -7.747 1.00 0.00 C ATOM 34 OE1 GLU A 3 13.889 8.880 -6.599 1.00 0.00 O ATOM 35 OE2 GLU A 3 12.510 9.605 -8.133 1.00 0.00 O ATOM 0 H GLU A 3 17.145 8.310 -10.005 1.00 0.00 H new ATOM 0 HA GLU A 3 16.682 8.407 -7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 3 15.338 6.922 -9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.699 6.945 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 3 15.371 9.657 -8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 3 14.157 8.855 -9.809 1.00 0.00 H new ATOM 42 N SER A 4 18.566 6.428 -7.241 1.00 0.00 N ATOM 43 CA SER A 4 19.224 5.162 -6.832 1.00 0.00 C ATOM 44 C SER A 4 19.154 4.967 -5.319 1.00 0.00 C ATOM 45 O SER A 4 20.014 4.343 -4.732 1.00 0.00 O ATOM 46 CB SER A 4 20.700 5.226 -7.253 1.00 0.00 C ATOM 47 OG SER A 4 20.658 5.674 -8.599 1.00 0.00 O ATOM 0 H SER A 4 19.161 7.257 -7.226 1.00 0.00 H new ATOM 0 HA SER A 4 18.711 4.328 -7.312 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.265 5.912 -6.622 1.00 0.00 H new ATOM 0 HB3 SER A 4 21.180 4.251 -7.172 1.00 0.00 H new ATOM 0 HG SER A 4 21.571 5.745 -8.949 1.00 0.00 H new ATOM 53 N SER A 5 18.129 5.504 -4.714 1.00 0.00 N ATOM 54 CA SER A 5 17.993 5.355 -3.241 1.00 0.00 C ATOM 55 C SER A 5 17.598 3.928 -2.879 1.00 0.00 C ATOM 56 O SER A 5 17.588 3.554 -1.724 1.00 0.00 O ATOM 57 CB SER A 5 16.895 6.313 -2.758 1.00 0.00 C ATOM 58 OG SER A 5 17.550 7.568 -2.658 1.00 0.00 O ATOM 0 H SER A 5 17.388 6.034 -5.172 1.00 0.00 H new ATOM 0 HA SER A 5 18.947 5.584 -2.767 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.063 6.353 -3.461 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.486 5.999 -1.798 1.00 0.00 H new ATOM 0 HG SER A 5 16.912 8.247 -2.353 1.00 0.00 H new ATOM 64 N LYS A 6 17.287 3.159 -3.884 1.00 0.00 N ATOM 65 CA LYS A 6 16.886 1.747 -3.652 1.00 0.00 C ATOM 66 C LYS A 6 17.788 1.059 -2.584 1.00 0.00 C ATOM 67 O LYS A 6 18.923 0.733 -2.876 1.00 0.00 O ATOM 68 CB LYS A 6 17.073 0.999 -4.982 1.00 0.00 C ATOM 69 CG LYS A 6 16.071 1.543 -6.011 1.00 0.00 C ATOM 70 CD LYS A 6 14.793 0.697 -5.973 1.00 0.00 C ATOM 71 CE LYS A 6 13.806 1.231 -7.015 1.00 0.00 C ATOM 72 NZ LYS A 6 14.444 1.281 -8.360 1.00 0.00 N ATOM 0 H LYS A 6 17.294 3.451 -4.861 1.00 0.00 H new ATOM 0 HA LYS A 6 15.856 1.724 -3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.092 1.128 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.919 -0.070 -4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.837 2.585 -5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.508 1.517 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.028 -0.348 -6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.347 0.734 -4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.923 0.593 -7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.469 2.227 -6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.736 1.057 -9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.825 2.234 -8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.217 0.587 -8.404 1.00 0.00 H new ATOM 86 N PRO A 7 17.281 0.842 -1.356 1.00 0.00 N ATOM 87 CA PRO A 7 18.090 0.195 -0.308 1.00 0.00 C ATOM 88 C PRO A 7 18.381 -1.264 -0.661 1.00 0.00 C ATOM 89 O PRO A 7 17.476 -2.019 -0.966 1.00 0.00 O ATOM 90 CB PRO A 7 17.211 0.244 0.959 1.00 0.00 C ATOM 91 CG PRO A 7 15.854 0.892 0.568 1.00 0.00 C ATOM 92 CD PRO A 7 15.912 1.217 -0.931 1.00 0.00 C ATOM 0 HA PRO A 7 19.050 0.695 -0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 7 17.055 -0.759 1.356 1.00 0.00 H new ATOM 0 HB3 PRO A 7 17.700 0.824 1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 7 15.029 0.212 0.781 1.00 0.00 H new ATOM 0 HG3 PRO A 7 15.680 1.797 1.150 1.00 0.00 H new ATOM 0 HD2 PRO A 7 15.160 0.656 -1.485 1.00 0.00 H new ATOM 0 HD3 PRO A 7 15.719 2.274 -1.113 1.00 0.00 H new ATOM 100 N CYS A 8 19.642 -1.628 -0.613 1.00 0.00 N ATOM 101 CA CYS A 8 20.024 -3.033 -0.939 1.00 0.00 C ATOM 102 C CYS A 8 20.741 -3.680 0.236 1.00 0.00 C ATOM 103 O CYS A 8 20.553 -3.281 1.369 1.00 0.00 O ATOM 104 CB CYS A 8 20.936 -3.014 -2.176 1.00 0.00 C ATOM 105 SG CYS A 8 22.369 -1.919 -2.166 1.00 0.00 S ATOM 0 H CYS A 8 20.417 -1.014 -0.363 1.00 0.00 H new ATOM 0 HA CYS A 8 19.128 -3.619 -1.145 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.295 -4.030 -2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 8 20.322 -2.750 -3.037 1.00 0.00 H new ATOM 110 N CYS A 9 21.546 -4.663 -0.039 1.00 0.00 N ATOM 111 CA CYS A 9 22.268 -5.331 1.092 1.00 0.00 C ATOM 112 C CYS A 9 23.597 -5.934 0.663 1.00 0.00 C ATOM 113 O CYS A 9 23.850 -6.123 -0.495 1.00 0.00 O ATOM 114 CB CYS A 9 21.387 -6.482 1.607 1.00 0.00 C ATOM 115 SG CYS A 9 20.783 -6.386 3.302 1.00 0.00 S ATOM 0 H CYS A 9 21.738 -5.031 -0.971 1.00 0.00 H new ATOM 0 HA CYS A 9 22.464 -4.574 1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 9 20.523 -6.563 0.948 1.00 0.00 H new ATOM 0 HB3 CYS A 9 21.953 -7.408 1.505 1.00 0.00 H new ATOM 120 N ASP A 10 24.425 -6.215 1.622 1.00 0.00 N ATOM 121 CA ASP A 10 25.738 -6.810 1.297 1.00 0.00 C ATOM 122 C ASP A 10 26.180 -7.689 2.455 1.00 0.00 C ATOM 123 O ASP A 10 26.213 -8.900 2.346 1.00 0.00 O ATOM 124 CB ASP A 10 26.759 -5.682 1.088 1.00 0.00 C ATOM 125 CG ASP A 10 26.965 -5.461 -0.411 1.00 0.00 C ATOM 126 OD1 ASP A 10 26.212 -4.665 -0.950 1.00 0.00 O ATOM 127 OD2 ASP A 10 27.862 -6.100 -0.934 1.00 0.00 O ATOM 0 H ASP A 10 24.248 -6.058 2.614 1.00 0.00 H new ATOM 0 HA ASP A 10 25.666 -7.409 0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 10 26.406 -4.764 1.558 1.00 0.00 H new ATOM 0 HB3 ASP A 10 27.706 -5.940 1.563 1.00 0.00 H new ATOM 132 N GLN A 11 26.509 -7.057 3.545 1.00 0.00 N ATOM 133 CA GLN A 11 26.947 -7.823 4.738 1.00 0.00 C ATOM 134 C GLN A 11 25.787 -7.927 5.696 1.00 0.00 C ATOM 135 O GLN A 11 25.603 -7.081 6.543 1.00 0.00 O ATOM 136 CB GLN A 11 28.069 -7.068 5.439 1.00 0.00 C ATOM 137 CG GLN A 11 29.170 -6.751 4.431 1.00 0.00 C ATOM 138 CD GLN A 11 29.758 -8.057 3.903 1.00 0.00 C ATOM 139 OE1 GLN A 11 29.316 -8.533 2.774 1.00 0.00 O flip ATOM 140 NE2 GLN A 11 30.622 -8.657 4.514 1.00 0.00 N flip ATOM 0 H GLN A 11 26.493 -6.044 3.660 1.00 0.00 H new ATOM 0 HA GLN A 11 27.291 -8.811 4.432 1.00 0.00 H new ATOM 0 HB2 GLN A 11 27.685 -6.147 5.877 1.00 0.00 H new ATOM 0 HB3 GLN A 11 28.470 -7.667 6.257 1.00 0.00 H new ATOM 0 HG2 GLN A 11 28.767 -6.161 3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 11 29.949 -6.152 4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 11 30.971 -8.288 5.398 1.00 0.00 H new ATOM 0 HE22 GLN A 11 30.997 -9.529 4.142 1.00 0.00 H new ATOM 149 N CYS A 12 25.021 -8.951 5.539 1.00 0.00 N ATOM 150 CA CYS A 12 23.858 -9.131 6.434 1.00 0.00 C ATOM 151 C CYS A 12 24.261 -9.793 7.747 1.00 0.00 C ATOM 152 O CYS A 12 25.148 -10.621 7.786 1.00 0.00 O ATOM 153 CB CYS A 12 22.840 -10.035 5.720 1.00 0.00 C ATOM 154 SG CYS A 12 21.434 -10.638 6.692 1.00 0.00 S ATOM 0 H CYS A 12 25.146 -9.674 4.831 1.00 0.00 H new ATOM 0 HA CYS A 12 23.435 -8.152 6.661 1.00 0.00 H new ATOM 0 HB2 CYS A 12 22.447 -9.488 4.863 1.00 0.00 H new ATOM 0 HB3 CYS A 12 23.375 -10.900 5.328 1.00 0.00 H new ATOM 159 N ALA A 13 23.599 -9.406 8.804 1.00 0.00 N ATOM 160 CA ALA A 13 23.922 -9.996 10.131 1.00 0.00 C ATOM 161 C ALA A 13 22.763 -9.789 11.102 1.00 0.00 C ATOM 162 O ALA A 13 22.274 -8.685 11.246 1.00 0.00 O ATOM 163 CB ALA A 13 25.163 -9.286 10.685 1.00 0.00 C ATOM 0 H ALA A 13 22.853 -8.711 8.805 1.00 0.00 H new ATOM 0 HA ALA A 13 24.102 -11.065 10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 13 25.417 -9.704 11.659 1.00 0.00 H new ATOM 0 HB2 ALA A 13 25.999 -9.427 10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 13 24.956 -8.221 10.790 1.00 0.00 H new ATOM 169 N CYS A 14 22.347 -10.856 11.754 1.00 0.00 N ATOM 170 CA CYS A 14 21.217 -10.733 12.721 1.00 0.00 C ATOM 171 C CYS A 14 21.633 -11.084 14.134 1.00 0.00 C ATOM 172 O CYS A 14 22.479 -11.930 14.351 1.00 0.00 O ATOM 173 CB CYS A 14 20.098 -11.691 12.292 1.00 0.00 C ATOM 174 SG CYS A 14 18.482 -10.966 11.911 1.00 0.00 S ATOM 0 H CYS A 14 22.739 -11.792 11.656 1.00 0.00 H new ATOM 0 HA CYS A 14 20.883 -9.696 12.715 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.439 -12.235 11.411 1.00 0.00 H new ATOM 0 HB3 CYS A 14 19.959 -12.425 13.086 1.00 0.00 H new ATOM 179 N THR A 15 21.016 -10.411 15.073 1.00 0.00 N ATOM 180 CA THR A 15 21.334 -10.662 16.504 1.00 0.00 C ATOM 181 C THR A 15 20.154 -11.332 17.197 1.00 0.00 C ATOM 182 O THR A 15 19.011 -11.029 16.916 1.00 0.00 O ATOM 183 CB THR A 15 21.607 -9.316 17.184 1.00 0.00 C ATOM 184 OG1 THR A 15 21.297 -9.518 18.550 1.00 0.00 O ATOM 185 CG2 THR A 15 20.608 -8.251 16.715 1.00 0.00 C ATOM 0 H THR A 15 20.306 -9.699 14.906 1.00 0.00 H new ATOM 0 HA THR A 15 22.204 -11.315 16.572 1.00 0.00 H new ATOM 0 HB THR A 15 22.628 -8.998 16.974 1.00 0.00 H new ATOM 0 HG1 THR A 15 20.450 -9.072 18.763 1.00 0.00 H new ATOM 0 HG21 THR A 15 20.824 -7.306 17.213 1.00 0.00 H new ATOM 0 HG22 THR A 15 20.694 -8.121 15.636 1.00 0.00 H new ATOM 0 HG23 THR A 15 19.595 -8.568 16.962 1.00 0.00 H new ATOM 193 N LYS A 16 20.451 -12.231 18.091 1.00 0.00 N ATOM 194 CA LYS A 16 19.359 -12.932 18.811 1.00 0.00 C ATOM 195 C LYS A 16 18.773 -12.057 19.917 1.00 0.00 C ATOM 196 O LYS A 16 18.855 -12.391 21.082 1.00 0.00 O ATOM 197 CB LYS A 16 19.943 -14.203 19.444 1.00 0.00 C ATOM 198 CG LYS A 16 20.142 -15.261 18.354 1.00 0.00 C ATOM 199 CD LYS A 16 18.916 -16.179 18.311 1.00 0.00 C ATOM 200 CE LYS A 16 18.829 -16.839 16.932 1.00 0.00 C ATOM 201 NZ LYS A 16 20.188 -17.176 16.427 1.00 0.00 N ATOM 0 H LYS A 16 21.397 -12.508 18.352 1.00 0.00 H new ATOM 0 HA LYS A 16 18.564 -13.168 18.104 1.00 0.00 H new ATOM 0 HB2 LYS A 16 20.893 -13.979 19.928 1.00 0.00 H new ATOM 0 HB3 LYS A 16 19.273 -14.580 20.216 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.285 -14.780 17.386 1.00 0.00 H new ATOM 0 HG3 LYS A 16 21.040 -15.844 18.556 1.00 0.00 H new ATOM 0 HD2 LYS A 16 18.989 -16.940 19.088 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.011 -15.606 18.511 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.223 -17.743 16.993 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.331 -16.168 16.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 20.116 -17.926 15.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 20.620 -16.331 16.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.779 -17.507 17.216 1.00 0.00 H new ATOM 215 N SER A 17 18.191 -10.949 19.534 1.00 0.00 N ATOM 216 CA SER A 17 17.598 -10.051 20.558 1.00 0.00 C ATOM 217 C SER A 17 16.232 -10.575 20.998 1.00 0.00 C ATOM 218 O SER A 17 16.034 -11.769 21.093 1.00 0.00 O ATOM 219 CB SER A 17 17.436 -8.649 19.948 1.00 0.00 C ATOM 220 OG SER A 17 18.752 -8.288 19.560 1.00 0.00 O ATOM 0 H SER A 17 18.103 -10.634 18.568 1.00 0.00 H new ATOM 0 HA SER A 17 18.253 -10.012 21.429 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.758 -8.661 19.095 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.026 -7.944 20.671 1.00 0.00 H new ATOM 0 HG SER A 17 18.740 -7.396 19.154 1.00 0.00 H new ATOM 226 N ASN A 18 15.309 -9.685 21.259 1.00 0.00 N ATOM 227 CA ASN A 18 13.967 -10.154 21.691 1.00 0.00 C ATOM 228 C ASN A 18 12.883 -9.068 21.503 1.00 0.00 C ATOM 229 O ASN A 18 12.656 -8.282 22.402 1.00 0.00 O ATOM 230 CB ASN A 18 14.053 -10.475 23.193 1.00 0.00 C ATOM 231 CG ASN A 18 14.997 -9.480 23.869 1.00 0.00 C ATOM 232 OD1 ASN A 18 14.964 -8.295 23.603 1.00 0.00 O ATOM 233 ND2 ASN A 18 15.856 -9.920 24.748 1.00 0.00 N ATOM 0 H ASN A 18 15.426 -8.674 21.192 1.00 0.00 H new ATOM 0 HA ASN A 18 13.691 -11.019 21.088 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.063 -10.420 23.646 1.00 0.00 H new ATOM 0 HB3 ASN A 18 14.414 -11.493 23.339 1.00 0.00 H new ATOM 0 HD21 ASN A 18 16.494 -9.270 25.207 1.00 0.00 H new ATOM 0 HD22 ASN A 18 15.889 -10.914 24.976 1.00 0.00 H new ATOM 240 N PRO A 19 12.217 -9.026 20.342 1.00 0.00 N ATOM 241 CA PRO A 19 12.446 -9.938 19.195 1.00 0.00 C ATOM 242 C PRO A 19 13.828 -9.707 18.572 1.00 0.00 C ATOM 243 O PRO A 19 14.483 -8.734 18.877 1.00 0.00 O ATOM 244 CB PRO A 19 11.368 -9.535 18.165 1.00 0.00 C ATOM 245 CG PRO A 19 10.581 -8.331 18.747 1.00 0.00 C ATOM 246 CD PRO A 19 11.160 -8.030 20.135 1.00 0.00 C ATOM 0 HA PRO A 19 12.396 -10.983 19.500 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.829 -9.266 17.215 1.00 0.00 H new ATOM 0 HB3 PRO A 19 10.697 -10.371 17.968 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.674 -7.462 18.096 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.519 -8.565 18.817 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.560 -7.017 20.182 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.393 -8.106 20.905 1.00 0.00 H new ATOM 254 N PRO A 20 14.244 -10.607 17.693 1.00 0.00 N ATOM 255 CA PRO A 20 15.549 -10.486 17.035 1.00 0.00 C ATOM 256 C PRO A 20 15.664 -9.171 16.258 1.00 0.00 C ATOM 257 O PRO A 20 14.710 -8.429 16.142 1.00 0.00 O ATOM 258 CB PRO A 20 15.609 -11.672 16.050 1.00 0.00 C ATOM 259 CG PRO A 20 14.280 -12.468 16.194 1.00 0.00 C ATOM 260 CD PRO A 20 13.456 -11.791 17.302 1.00 0.00 C ATOM 0 HA PRO A 20 16.360 -10.494 17.763 1.00 0.00 H new ATOM 0 HB2 PRO A 20 15.733 -11.315 15.028 1.00 0.00 H new ATOM 0 HB3 PRO A 20 16.464 -12.311 16.271 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.730 -12.470 15.253 1.00 0.00 H new ATOM 0 HG3 PRO A 20 14.482 -13.509 16.447 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.468 -11.506 16.941 1.00 0.00 H new ATOM 0 HD3 PRO A 20 13.305 -12.462 18.148 1.00 0.00 H new ATOM 268 N GLN A 21 16.835 -8.915 15.743 1.00 0.00 N ATOM 269 CA GLN A 21 17.050 -7.663 14.969 1.00 0.00 C ATOM 270 C GLN A 21 17.954 -7.958 13.783 1.00 0.00 C ATOM 271 O GLN A 21 18.578 -8.997 13.744 1.00 0.00 O ATOM 272 CB GLN A 21 17.742 -6.648 15.888 1.00 0.00 C ATOM 273 CG GLN A 21 16.921 -5.359 15.922 1.00 0.00 C ATOM 274 CD GLN A 21 15.559 -5.647 16.558 1.00 0.00 C ATOM 275 OE1 GLN A 21 14.524 -5.393 15.974 1.00 0.00 O ATOM 276 NE2 GLN A 21 15.515 -6.177 17.749 1.00 0.00 N ATOM 0 H GLN A 21 17.652 -9.520 15.826 1.00 0.00 H new ATOM 0 HA GLN A 21 16.099 -7.268 14.611 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.840 -7.057 16.893 1.00 0.00 H new ATOM 0 HB3 GLN A 21 18.750 -6.442 15.528 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.447 -4.593 16.492 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.789 -4.971 14.912 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.381 -6.392 18.244 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.615 -6.376 18.186 1.00 0.00 H new ATOM 285 N CYS A 22 18.031 -7.057 12.826 1.00 0.00 N ATOM 286 CA CYS A 22 18.923 -7.368 11.669 1.00 0.00 C ATOM 287 C CYS A 22 19.456 -6.150 10.942 1.00 0.00 C ATOM 288 O CYS A 22 18.719 -5.353 10.415 1.00 0.00 O ATOM 289 CB CYS A 22 18.144 -8.218 10.665 1.00 0.00 C ATOM 290 SG CYS A 22 18.814 -9.853 10.258 1.00 0.00 S ATOM 0 H CYS A 22 17.540 -6.164 12.796 1.00 0.00 H new ATOM 0 HA CYS A 22 19.786 -7.889 12.083 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.134 -8.355 11.052 1.00 0.00 H new ATOM 0 HB3 CYS A 22 18.057 -7.650 9.739 1.00 0.00 H new ATOM 295 N ARG A 23 20.754 -6.051 10.940 1.00 0.00 N ATOM 296 CA ARG A 23 21.427 -4.928 10.269 1.00 0.00 C ATOM 297 C ARG A 23 22.091 -5.444 9.008 1.00 0.00 C ATOM 298 O ARG A 23 22.298 -6.633 8.868 1.00 0.00 O ATOM 299 CB ARG A 23 22.489 -4.391 11.229 1.00 0.00 C ATOM 300 CG ARG A 23 23.763 -5.230 11.111 1.00 0.00 C ATOM 301 CD ARG A 23 24.606 -5.031 12.372 1.00 0.00 C ATOM 302 NE ARG A 23 25.857 -5.828 12.248 1.00 0.00 N ATOM 303 CZ ARG A 23 26.177 -6.673 13.191 1.00 0.00 C ATOM 304 NH1 ARG A 23 25.963 -6.342 14.437 1.00 0.00 N ATOM 305 NH2 ARG A 23 26.700 -7.821 12.856 1.00 0.00 N ATOM 0 H ARG A 23 21.382 -6.719 11.387 1.00 0.00 H new ATOM 0 HA ARG A 23 20.721 -4.141 10.005 1.00 0.00 H new ATOM 0 HB2 ARG A 23 22.706 -3.348 10.999 1.00 0.00 H new ATOM 0 HB3 ARG A 23 22.116 -4.421 12.253 1.00 0.00 H new ATOM 0 HG2 ARG A 23 23.511 -6.283 10.989 1.00 0.00 H new ATOM 0 HG3 ARG A 23 24.329 -4.933 10.228 1.00 0.00 H new ATOM 0 HD2 ARG A 23 24.843 -3.975 12.504 1.00 0.00 H new ATOM 0 HD3 ARG A 23 24.046 -5.344 13.253 1.00 0.00 H new ATOM 0 HE ARG A 23 26.460 -5.715 11.433 1.00 0.00 H new ATOM 0 HH11 ARG A 23 25.552 -5.436 14.661 1.00 0.00 H new ATOM 0 HH12 ARG A 23 26.207 -6.990 15.186 1.00 0.00 H new ATOM 0 HH21 ARG A 23 26.852 -8.045 11.872 1.00 0.00 H new ATOM 0 HH22 ARG A 23 26.957 -8.495 13.578 1.00 0.00 H new ATOM 319 N CYS A 24 22.414 -4.572 8.107 1.00 0.00 N ATOM 320 CA CYS A 24 23.062 -5.069 6.870 1.00 0.00 C ATOM 321 C CYS A 24 23.893 -4.007 6.161 1.00 0.00 C ATOM 322 O CYS A 24 23.799 -2.832 6.453 1.00 0.00 O ATOM 323 CB CYS A 24 21.958 -5.529 5.926 1.00 0.00 C ATOM 324 SG CYS A 24 22.461 -6.376 4.416 1.00 0.00 S ATOM 0 H CYS A 24 22.264 -3.565 8.166 1.00 0.00 H new ATOM 0 HA CYS A 24 23.742 -5.875 7.146 1.00 0.00 H new ATOM 0 HB2 CYS A 24 21.295 -6.193 6.480 1.00 0.00 H new ATOM 0 HB3 CYS A 24 21.370 -4.656 5.643 1.00 0.00 H new ATOM 329 N SER A 25 24.700 -4.461 5.230 1.00 0.00 N ATOM 330 CA SER A 25 25.561 -3.508 4.471 1.00 0.00 C ATOM 331 C SER A 25 26.283 -2.578 5.432 1.00 0.00 C ATOM 332 O SER A 25 26.568 -1.438 5.125 1.00 0.00 O ATOM 333 CB SER A 25 24.660 -2.684 3.543 1.00 0.00 C ATOM 334 OG SER A 25 25.347 -2.685 2.300 1.00 0.00 O ATOM 0 H SER A 25 24.797 -5.442 4.967 1.00 0.00 H new ATOM 0 HA SER A 25 26.304 -4.058 3.893 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.669 -3.129 3.451 1.00 0.00 H new ATOM 0 HB3 SER A 25 24.520 -1.671 3.920 1.00 0.00 H new ATOM 0 HG SER A 25 24.764 -2.316 1.604 1.00 0.00 H new ATOM 340 N ASP A 26 26.554 -3.107 6.579 1.00 0.00 N ATOM 341 CA ASP A 26 27.249 -2.343 7.630 1.00 0.00 C ATOM 342 C ASP A 26 28.726 -2.640 7.628 1.00 0.00 C ATOM 343 O ASP A 26 29.351 -2.709 8.669 1.00 0.00 O ATOM 344 CB ASP A 26 26.666 -2.850 8.916 1.00 0.00 C ATOM 345 CG ASP A 26 27.311 -4.190 9.276 1.00 0.00 C ATOM 346 OD1 ASP A 26 26.928 -5.163 8.646 1.00 0.00 O ATOM 347 OD2 ASP A 26 28.154 -4.165 10.158 1.00 0.00 O ATOM 0 H ASP A 26 26.316 -4.064 6.838 1.00 0.00 H new ATOM 0 HA ASP A 26 27.127 -1.270 7.485 1.00 0.00 H new ATOM 0 HB2 ASP A 26 26.835 -2.127 9.714 1.00 0.00 H new ATOM 0 HB3 ASP A 26 25.587 -2.969 8.817 1.00 0.00 H new ATOM 352 N MET A 27 29.245 -2.688 6.452 1.00 0.00 N ATOM 353 CA MET A 27 30.693 -2.986 6.239 1.00 0.00 C ATOM 354 C MET A 27 31.678 -1.867 6.521 1.00 0.00 C ATOM 355 O MET A 27 31.428 -0.697 6.308 1.00 0.00 O ATOM 356 CB MET A 27 30.877 -3.369 4.765 1.00 0.00 C ATOM 357 CG MET A 27 29.525 -3.421 4.036 1.00 0.00 C ATOM 358 SD MET A 27 29.540 -3.965 2.306 1.00 0.00 S ATOM 359 CE MET A 27 29.913 -2.358 1.557 1.00 0.00 C ATOM 0 H MET A 27 28.719 -2.530 5.593 1.00 0.00 H new ATOM 0 HA MET A 27 30.922 -3.770 6.961 1.00 0.00 H new ATOM 0 HB2 MET A 27 31.530 -2.646 4.276 1.00 0.00 H new ATOM 0 HB3 MET A 27 31.369 -4.339 4.696 1.00 0.00 H new ATOM 0 HG2 MET A 27 28.865 -4.085 4.594 1.00 0.00 H new ATOM 0 HG3 MET A 27 29.082 -2.426 4.074 1.00 0.00 H new ATOM 0 HE1 MET A 27 29.969 -2.466 0.474 1.00 0.00 H new ATOM 0 HE2 MET A 27 29.127 -1.647 1.811 1.00 0.00 H new ATOM 0 HE3 MET A 27 30.868 -1.993 1.935 1.00 0.00 H new ATOM 369 N ARG A 28 32.831 -2.346 6.950 1.00 0.00 N ATOM 370 CA ARG A 28 34.006 -1.522 7.313 1.00 0.00 C ATOM 371 C ARG A 28 34.674 -0.934 6.096 1.00 0.00 C ATOM 372 O ARG A 28 35.872 -0.850 6.026 1.00 0.00 O ATOM 373 CB ARG A 28 34.999 -2.479 7.974 1.00 0.00 C ATOM 374 CG ARG A 28 35.046 -3.778 7.161 1.00 0.00 C ATOM 375 CD ARG A 28 36.409 -4.459 7.351 1.00 0.00 C ATOM 376 NE ARG A 28 37.320 -4.035 6.245 1.00 0.00 N ATOM 377 CZ ARG A 28 37.945 -4.941 5.533 1.00 0.00 C ATOM 378 NH1 ARG A 28 38.257 -6.085 6.083 1.00 0.00 N ATOM 379 NH2 ARG A 28 38.242 -4.667 4.291 1.00 0.00 N ATOM 0 H ARG A 28 32.997 -3.346 7.064 1.00 0.00 H new ATOM 0 HA ARG A 28 33.696 -0.699 7.957 1.00 0.00 H new ATOM 0 HB2 ARG A 28 35.989 -2.025 8.018 1.00 0.00 H new ATOM 0 HB3 ARG A 28 34.697 -2.687 9.001 1.00 0.00 H new ATOM 0 HG2 ARG A 28 34.247 -4.447 7.480 1.00 0.00 H new ATOM 0 HG3 ARG A 28 34.880 -3.564 6.105 1.00 0.00 H new ATOM 0 HD2 ARG A 28 36.835 -4.186 8.316 1.00 0.00 H new ATOM 0 HD3 ARG A 28 36.293 -5.543 7.349 1.00 0.00 H new ATOM 0 HE ARG A 28 37.455 -3.044 6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 28 38.014 -6.266 7.057 1.00 0.00 H new ATOM 0 HH12 ARG A 28 38.743 -6.797 5.538 1.00 0.00 H new ATOM 0 HH21 ARG A 28 37.988 -3.763 3.893 1.00 0.00 H new ATOM 0 HH22 ARG A 28 38.728 -5.357 3.719 1.00 0.00 H new ATOM 393 N LEU A 29 33.870 -0.531 5.168 1.00 0.00 N ATOM 394 CA LEU A 29 34.407 0.073 3.920 1.00 0.00 C ATOM 395 C LEU A 29 34.047 1.554 3.910 1.00 0.00 C ATOM 396 O LEU A 29 33.537 2.051 4.870 1.00 0.00 O ATOM 397 CB LEU A 29 33.750 -0.629 2.705 1.00 0.00 C ATOM 398 CG LEU A 29 34.817 -1.301 1.797 1.00 0.00 C ATOM 399 CD1 LEU A 29 35.639 -0.226 1.062 1.00 0.00 C ATOM 400 CD2 LEU A 29 35.756 -2.182 2.637 1.00 0.00 C ATOM 0 H LEU A 29 32.853 -0.592 5.215 1.00 0.00 H new ATOM 0 HA LEU A 29 35.489 -0.046 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 29 33.042 -1.380 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 29 33.182 0.099 2.125 1.00 0.00 H new ATOM 0 HG LEU A 29 34.304 -1.925 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 29 36.384 -0.708 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 29 34.976 0.381 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 29 36.140 0.411 1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 29 36.498 -2.646 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 29 36.260 -1.568 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 29 35.176 -2.958 3.137 1.00 0.00 H new ATOM 412 N ASN A 30 34.325 2.231 2.848 1.00 0.00 N ATOM 413 CA ASN A 30 33.988 3.676 2.808 1.00 0.00 C ATOM 414 C ASN A 30 32.511 3.944 2.508 1.00 0.00 C ATOM 415 O ASN A 30 31.935 3.387 1.594 1.00 0.00 O ATOM 416 CB ASN A 30 34.822 4.327 1.705 1.00 0.00 C ATOM 417 CG ASN A 30 34.394 5.782 1.548 1.00 0.00 C ATOM 418 OD1 ASN A 30 33.940 6.199 0.501 1.00 0.00 O ATOM 419 ND2 ASN A 30 34.522 6.587 2.562 1.00 0.00 N ATOM 0 H ASN A 30 34.767 1.857 2.009 1.00 0.00 H new ATOM 0 HA ASN A 30 34.201 4.088 3.794 1.00 0.00 H new ATOM 0 HB2 ASN A 30 35.882 4.272 1.953 1.00 0.00 H new ATOM 0 HB3 ASN A 30 34.686 3.792 0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 30 34.242 7.564 2.476 1.00 0.00 H new ATOM 0 HD22 ASN A 30 34.903 6.241 3.443 1.00 0.00 H new ATOM 426 N SER A 31 31.942 4.808 3.306 1.00 0.00 N ATOM 427 CA SER A 31 30.509 5.181 3.140 1.00 0.00 C ATOM 428 C SER A 31 29.550 3.992 3.118 1.00 0.00 C ATOM 429 O SER A 31 29.876 2.918 2.651 1.00 0.00 O ATOM 430 CB SER A 31 30.369 5.917 1.805 1.00 0.00 C ATOM 431 OG SER A 31 31.635 6.533 1.613 1.00 0.00 O ATOM 0 H SER A 31 32.418 5.277 4.077 1.00 0.00 H new ATOM 0 HA SER A 31 30.239 5.791 4.002 1.00 0.00 H new ATOM 0 HB2 SER A 31 30.134 5.229 0.993 1.00 0.00 H new ATOM 0 HB3 SER A 31 29.568 6.655 1.839 1.00 0.00 H new ATOM 0 HG SER A 31 32.062 6.161 0.813 1.00 0.00 H new ATOM 437 N CYS A 32 28.369 4.234 3.637 1.00 0.00 N ATOM 438 CA CYS A 32 27.326 3.174 3.683 1.00 0.00 C ATOM 439 C CYS A 32 26.323 3.421 2.547 1.00 0.00 C ATOM 440 O CYS A 32 26.722 3.640 1.421 1.00 0.00 O ATOM 441 CB CYS A 32 26.599 3.263 5.041 1.00 0.00 C ATOM 442 SG CYS A 32 27.634 3.421 6.527 1.00 0.00 S ATOM 0 H CYS A 32 28.086 5.131 4.033 1.00 0.00 H new ATOM 0 HA CYS A 32 27.775 2.187 3.567 1.00 0.00 H new ATOM 0 HB2 CYS A 32 25.923 4.118 5.007 1.00 0.00 H new ATOM 0 HB3 CYS A 32 25.981 2.372 5.153 1.00 0.00 H new ATOM 447 N HIS A 33 25.041 3.385 2.845 1.00 0.00 N ATOM 448 CA HIS A 33 24.058 3.626 1.755 1.00 0.00 C ATOM 449 C HIS A 33 22.737 4.226 2.274 1.00 0.00 C ATOM 450 O HIS A 33 22.681 4.772 3.358 1.00 0.00 O ATOM 451 CB HIS A 33 23.791 2.311 1.001 1.00 0.00 C ATOM 452 CG HIS A 33 23.148 1.267 1.913 1.00 0.00 C ATOM 453 ND1 HIS A 33 22.473 1.514 2.935 1.00 0.00 N ATOM 454 CD2 HIS A 33 23.144 -0.112 1.796 1.00 0.00 C ATOM 455 CE1 HIS A 33 22.044 0.444 3.468 1.00 0.00 C ATOM 456 NE2 HIS A 33 22.426 -0.643 2.809 1.00 0.00 N ATOM 0 H HIS A 33 24.649 3.204 3.769 1.00 0.00 H new ATOM 0 HA HIS A 33 24.491 4.360 1.076 1.00 0.00 H new ATOM 0 HB2 HIS A 33 23.139 2.504 0.149 1.00 0.00 H new ATOM 0 HB3 HIS A 33 24.728 1.921 0.603 1.00 0.00 H new ATOM 0 HD2 HIS A 33 23.637 -0.675 1.017 1.00 0.00 H new ATOM 0 HE1 HIS A 33 21.435 0.421 4.360 1.00 0.00 H new ATOM 0 HE2 HIS A 33 22.229 -1.623 3.014 1.00 0.00 H new ATOM 464 N SER A 34 21.704 4.108 1.475 1.00 0.00 N ATOM 465 CA SER A 34 20.365 4.660 1.871 1.00 0.00 C ATOM 466 C SER A 34 19.817 4.120 3.188 1.00 0.00 C ATOM 467 O SER A 34 19.423 4.875 4.053 1.00 0.00 O ATOM 468 CB SER A 34 19.363 4.311 0.762 1.00 0.00 C ATOM 469 OG SER A 34 18.379 3.528 1.419 1.00 0.00 O ATOM 0 H SER A 34 21.728 3.652 0.563 1.00 0.00 H new ATOM 0 HA SER A 34 20.501 5.733 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.929 5.208 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.840 3.756 -0.046 1.00 0.00 H new ATOM 0 HG SER A 34 17.614 3.395 0.821 1.00 0.00 H new ATOM 475 N ALA A 35 19.798 2.844 3.318 1.00 0.00 N ATOM 476 CA ALA A 35 19.271 2.247 4.577 1.00 0.00 C ATOM 477 C ALA A 35 20.307 2.308 5.707 1.00 0.00 C ATOM 478 O ALA A 35 20.573 1.335 6.385 1.00 0.00 O ATOM 479 CB ALA A 35 18.869 0.784 4.277 1.00 0.00 C ATOM 0 H ALA A 35 20.121 2.177 2.617 1.00 0.00 H new ATOM 0 HA ALA A 35 18.406 2.816 4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.479 0.321 5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.102 0.769 3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.742 0.230 3.934 1.00 0.00 H new ATOM 485 N CYS A 36 20.863 3.466 5.892 1.00 0.00 N ATOM 486 CA CYS A 36 21.874 3.627 6.960 1.00 0.00 C ATOM 487 C CYS A 36 21.951 5.080 7.406 1.00 0.00 C ATOM 488 O CYS A 36 22.684 5.870 6.844 1.00 0.00 O ATOM 489 CB CYS A 36 23.237 3.201 6.406 1.00 0.00 C ATOM 490 SG CYS A 36 23.729 1.470 6.637 1.00 0.00 S ATOM 0 H CYS A 36 20.661 4.306 5.350 1.00 0.00 H new ATOM 0 HA CYS A 36 21.596 3.012 7.816 1.00 0.00 H new ATOM 0 HB2 CYS A 36 23.248 3.414 5.337 1.00 0.00 H new ATOM 0 HB3 CYS A 36 23.999 3.832 6.864 1.00 0.00 H new ATOM 495 N LYS A 37 21.187 5.405 8.412 1.00 0.00 N ATOM 496 CA LYS A 37 21.193 6.800 8.920 1.00 0.00 C ATOM 497 C LYS A 37 22.199 6.947 10.041 1.00 0.00 C ATOM 498 O LYS A 37 22.905 7.932 10.131 1.00 0.00 O ATOM 499 CB LYS A 37 19.793 7.125 9.466 1.00 0.00 C ATOM 500 CG LYS A 37 18.967 7.811 8.376 1.00 0.00 C ATOM 501 CD LYS A 37 17.577 8.140 8.931 1.00 0.00 C ATOM 502 CE LYS A 37 16.673 8.600 7.785 1.00 0.00 C ATOM 503 NZ LYS A 37 15.657 9.575 8.279 1.00 0.00 N ATOM 0 H LYS A 37 20.561 4.765 8.901 1.00 0.00 H new ATOM 0 HA LYS A 37 21.462 7.478 8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.297 6.211 9.792 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.873 7.773 10.339 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.465 8.722 8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 37 18.880 7.161 7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.150 7.263 9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.650 8.921 9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.275 9.059 7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.173 7.739 7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.052 9.877 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.071 9.125 9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.139 10.404 8.682 1.00 0.00 H new ATOM 517 N SER A 38 22.238 5.958 10.871 1.00 0.00 N ATOM 518 CA SER A 38 23.181 5.982 12.012 1.00 0.00 C ATOM 519 C SER A 38 24.408 5.135 11.700 1.00 0.00 C ATOM 520 O SER A 38 24.545 4.036 12.190 1.00 0.00 O ATOM 521 CB SER A 38 22.470 5.396 13.238 1.00 0.00 C ATOM 522 OG SER A 38 21.649 6.457 13.703 1.00 0.00 O ATOM 0 H SER A 38 21.653 5.125 10.810 1.00 0.00 H new ATOM 0 HA SER A 38 23.498 7.008 12.201 1.00 0.00 H new ATOM 0 HB2 SER A 38 21.878 4.520 12.974 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.183 5.081 14.000 1.00 0.00 H new ATOM 0 HG SER A 38 21.151 6.163 14.494 1.00 0.00 H new ATOM 528 N CYS A 39 25.261 5.660 10.863 1.00 0.00 N ATOM 529 CA CYS A 39 26.493 4.915 10.492 1.00 0.00 C ATOM 530 C CYS A 39 27.742 5.561 11.073 1.00 0.00 C ATOM 531 O CYS A 39 27.911 6.764 11.023 1.00 0.00 O ATOM 532 CB CYS A 39 26.622 4.924 8.964 1.00 0.00 C ATOM 533 SG CYS A 39 26.331 3.368 8.076 1.00 0.00 S ATOM 0 H CYS A 39 25.156 6.573 10.421 1.00 0.00 H new ATOM 0 HA CYS A 39 26.410 3.903 10.889 1.00 0.00 H new ATOM 0 HB2 CYS A 39 25.925 5.666 8.574 1.00 0.00 H new ATOM 0 HB3 CYS A 39 27.626 5.268 8.716 1.00 0.00 H new ATOM 538 N ILE A 40 28.590 4.736 11.612 1.00 0.00 N ATOM 539 CA ILE A 40 29.856 5.246 12.211 1.00 0.00 C ATOM 540 C ILE A 40 30.980 4.985 11.230 1.00 0.00 C ATOM 541 O ILE A 40 30.916 4.022 10.497 1.00 0.00 O ATOM 542 CB ILE A 40 30.143 4.479 13.507 1.00 0.00 C ATOM 543 CG1 ILE A 40 28.876 4.382 14.352 1.00 0.00 C ATOM 544 CG2 ILE A 40 31.204 5.253 14.310 1.00 0.00 C ATOM 545 CD1 ILE A 40 28.376 2.935 14.349 1.00 0.00 C ATOM 0 H ILE A 40 28.463 3.725 11.665 1.00 0.00 H new ATOM 0 HA ILE A 40 29.772 6.311 12.425 1.00 0.00 H new ATOM 0 HB ILE A 40 30.493 3.476 13.262 1.00 0.00 H new ATOM 0 HG12 ILE A 40 29.080 4.706 15.372 1.00 0.00 H new ATOM 0 HG13 ILE A 40 28.108 5.045 13.954 1.00 0.00 H new ATOM 0 HG21 ILE A 40 31.420 4.720 15.236 1.00 0.00 H new ATOM 0 HG22 ILE A 40 32.116 5.339 13.720 1.00 0.00 H new ATOM 0 HG23 ILE A 40 30.828 6.249 14.544 1.00 0.00 H new ATOM 0 HD11 ILE A 40 27.471 2.862 14.952 1.00 0.00 H new ATOM 0 HD12 ILE A 40 28.157 2.628 13.326 1.00 0.00 H new ATOM 0 HD13 ILE A 40 29.144 2.284 14.767 1.00 0.00 H new ATOM 557 N CYS A 41 31.996 5.824 11.218 1.00 0.00 N ATOM 558 CA CYS A 41 33.099 5.570 10.249 1.00 0.00 C ATOM 559 C CYS A 41 34.477 5.834 10.814 1.00 0.00 C ATOM 560 O CYS A 41 34.679 6.716 11.625 1.00 0.00 O ATOM 561 CB CYS A 41 32.887 6.472 9.037 1.00 0.00 C ATOM 562 SG CYS A 41 32.602 5.647 7.454 1.00 0.00 S ATOM 0 H CYS A 41 32.102 6.643 11.817 1.00 0.00 H new ATOM 0 HA CYS A 41 33.063 4.512 9.990 1.00 0.00 H new ATOM 0 HB2 CYS A 41 32.036 7.122 9.241 1.00 0.00 H new ATOM 0 HB3 CYS A 41 33.761 7.115 8.934 1.00 0.00 H new ATOM 567 N ALA A 42 35.407 5.037 10.353 1.00 0.00 N ATOM 568 CA ALA A 42 36.803 5.174 10.809 1.00 0.00 C ATOM 569 C ALA A 42 37.616 5.913 9.757 1.00 0.00 C ATOM 570 O ALA A 42 37.717 5.468 8.614 1.00 0.00 O ATOM 571 CB ALA A 42 37.396 3.768 10.998 1.00 0.00 C ATOM 0 H ALA A 42 35.247 4.293 9.674 1.00 0.00 H new ATOM 0 HA ALA A 42 36.831 5.731 11.746 1.00 0.00 H new ATOM 0 HB1 ALA A 42 38.429 3.851 11.335 1.00 0.00 H new ATOM 0 HB2 ALA A 42 36.814 3.225 11.742 1.00 0.00 H new ATOM 0 HB3 ALA A 42 37.366 3.230 10.050 1.00 0.00 H new ATOM 577 N LEU A 43 38.176 7.029 10.150 1.00 0.00 N ATOM 578 CA LEU A 43 38.985 7.821 9.199 1.00 0.00 C ATOM 579 C LEU A 43 40.238 7.062 8.779 1.00 0.00 C ATOM 580 O LEU A 43 41.234 7.064 9.477 1.00 0.00 O ATOM 581 CB LEU A 43 39.402 9.122 9.900 1.00 0.00 C ATOM 582 CG LEU A 43 38.149 9.942 10.217 1.00 0.00 C ATOM 583 CD1 LEU A 43 38.386 10.749 11.496 1.00 0.00 C ATOM 584 CD2 LEU A 43 37.867 10.901 9.059 1.00 0.00 C ATOM 0 H LEU A 43 38.103 7.419 11.090 1.00 0.00 H new ATOM 0 HA LEU A 43 38.393 8.023 8.306 1.00 0.00 H new ATOM 0 HB2 LEU A 43 39.947 8.897 10.817 1.00 0.00 H new ATOM 0 HB3 LEU A 43 40.075 9.695 9.262 1.00 0.00 H new ATOM 0 HG LEU A 43 37.298 9.275 10.356 1.00 0.00 H new ATOM 0 HD11 LEU A 43 37.496 11.335 11.726 1.00 0.00 H new ATOM 0 HD12 LEU A 43 38.596 10.069 12.321 1.00 0.00 H new ATOM 0 HD13 LEU A 43 39.234 11.418 11.352 1.00 0.00 H new ATOM 0 HD21 LEU A 43 36.975 11.487 9.281 1.00 0.00 H new ATOM 0 HD22 LEU A 43 38.717 11.570 8.926 1.00 0.00 H new ATOM 0 HD23 LEU A 43 37.708 10.330 8.144 1.00 0.00 H new ATOM 596 N SER A 44 40.163 6.427 7.644 1.00 0.00 N ATOM 597 CA SER A 44 41.333 5.660 7.150 1.00 0.00 C ATOM 598 C SER A 44 41.330 5.617 5.627 1.00 0.00 C ATOM 599 O SER A 44 40.470 6.199 4.995 1.00 0.00 O ATOM 600 CB SER A 44 41.242 4.224 7.689 1.00 0.00 C ATOM 601 OG SER A 44 39.847 3.960 7.741 1.00 0.00 O ATOM 0 H SER A 44 39.342 6.407 7.039 1.00 0.00 H new ATOM 0 HA SER A 44 42.250 6.141 7.491 1.00 0.00 H new ATOM 0 HB2 SER A 44 41.757 3.520 7.035 1.00 0.00 H new ATOM 0 HB3 SER A 44 41.701 4.138 8.674 1.00 0.00 H new ATOM 0 HG SER A 44 39.698 3.052 8.077 1.00 0.00 H new ATOM 607 N TYR A 45 42.295 4.932 5.065 1.00 0.00 N ATOM 608 CA TYR A 45 42.365 4.842 3.593 1.00 0.00 C ATOM 609 C TYR A 45 42.801 3.418 3.141 1.00 0.00 C ATOM 610 O TYR A 45 43.931 3.037 3.375 1.00 0.00 O ATOM 611 CB TYR A 45 43.441 5.831 3.132 1.00 0.00 C ATOM 612 CG TYR A 45 43.671 6.879 4.223 1.00 0.00 C ATOM 613 CD1 TYR A 45 42.913 8.032 4.259 1.00 0.00 C ATOM 614 CD2 TYR A 45 44.644 6.688 5.182 1.00 0.00 C ATOM 615 CE1 TYR A 45 43.125 8.979 5.240 1.00 0.00 C ATOM 616 CE2 TYR A 45 44.855 7.635 6.163 1.00 0.00 C ATOM 617 CZ TYR A 45 44.098 8.788 6.200 1.00 0.00 C ATOM 618 OH TYR A 45 44.309 9.734 7.182 1.00 0.00 O ATOM 0 H TYR A 45 43.030 4.436 5.569 1.00 0.00 H new ATOM 0 HA TYR A 45 41.385 5.061 3.168 1.00 0.00 H new ATOM 0 HB2 TYR A 45 44.370 5.302 2.920 1.00 0.00 H new ATOM 0 HB3 TYR A 45 43.132 6.316 2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 45 42.148 8.194 3.514 1.00 0.00 H new ATOM 0 HD2 TYR A 45 45.245 5.791 5.165 1.00 0.00 H new ATOM 0 HE1 TYR A 45 42.525 9.877 5.257 1.00 0.00 H new ATOM 0 HE2 TYR A 45 45.619 7.472 6.908 1.00 0.00 H new ATOM 0 HH TYR A 45 45.031 9.436 7.774 1.00 0.00 H new ATOM 628 N PRO A 46 41.911 2.637 2.504 1.00 0.00 N ATOM 629 CA PRO A 46 40.509 3.008 2.198 1.00 0.00 C ATOM 630 C PRO A 46 39.680 3.189 3.472 1.00 0.00 C ATOM 631 O PRO A 46 39.773 2.398 4.390 1.00 0.00 O ATOM 632 CB PRO A 46 39.948 1.803 1.410 1.00 0.00 C ATOM 633 CG PRO A 46 41.068 0.730 1.325 1.00 0.00 C ATOM 634 CD PRO A 46 42.304 1.298 2.039 1.00 0.00 C ATOM 0 HA PRO A 46 40.466 3.950 1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 46 39.067 1.397 1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 46 39.637 2.111 0.412 1.00 0.00 H new ATOM 0 HG2 PRO A 46 40.746 -0.199 1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 46 41.298 0.497 0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 46 42.600 0.664 2.875 1.00 0.00 H new ATOM 0 HD3 PRO A 46 43.157 1.353 1.363 1.00 0.00 H new ATOM 642 N ALA A 47 38.890 4.228 3.509 1.00 0.00 N ATOM 643 CA ALA A 47 38.053 4.464 4.716 1.00 0.00 C ATOM 644 C ALA A 47 37.282 3.209 5.081 1.00 0.00 C ATOM 645 O ALA A 47 37.126 2.323 4.263 1.00 0.00 O ATOM 646 CB ALA A 47 37.038 5.562 4.391 1.00 0.00 C ATOM 0 H ALA A 47 38.789 4.916 2.763 1.00 0.00 H new ATOM 0 HA ALA A 47 38.699 4.748 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 47 36.414 5.750 5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 47 37.566 6.476 4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 47 36.411 5.243 3.559 1.00 0.00 H new ATOM 652 N GLN A 48 36.814 3.149 6.305 1.00 0.00 N ATOM 653 CA GLN A 48 36.043 1.941 6.730 1.00 0.00 C ATOM 654 C GLN A 48 34.797 2.347 7.499 1.00 0.00 C ATOM 655 O GLN A 48 34.787 3.394 8.117 1.00 0.00 O ATOM 656 CB GLN A 48 36.941 1.088 7.641 1.00 0.00 C ATOM 657 CG GLN A 48 38.145 0.584 6.835 1.00 0.00 C ATOM 658 CD GLN A 48 38.613 -0.759 7.401 1.00 0.00 C ATOM 659 OE1 GLN A 48 38.999 -1.693 6.575 1.00 0.00 O flip ATOM 660 NE2 GLN A 48 38.632 -0.968 8.597 1.00 0.00 N flip ATOM 0 H GLN A 48 36.930 3.871 7.016 1.00 0.00 H new ATOM 0 HA GLN A 48 35.740 1.377 5.848 1.00 0.00 H new ATOM 0 HB2 GLN A 48 37.280 1.678 8.493 1.00 0.00 H new ATOM 0 HB3 GLN A 48 36.377 0.245 8.041 1.00 0.00 H new ATOM 0 HG2 GLN A 48 37.873 0.473 5.785 1.00 0.00 H new ATOM 0 HG3 GLN A 48 38.956 1.311 6.879 1.00 0.00 H new ATOM 0 HE21 GLN A 48 38.331 -0.241 9.247 1.00 0.00 H new ATOM 0 HE22 GLN A 48 38.949 -1.870 8.952 1.00 0.00 H new ATOM 669 N CYS A 49 33.748 1.528 7.457 1.00 0.00 N ATOM 670 CA CYS A 49 32.524 1.947 8.221 1.00 0.00 C ATOM 671 C CYS A 49 31.677 0.802 8.799 1.00 0.00 C ATOM 672 O CYS A 49 31.845 -0.378 8.516 1.00 0.00 O ATOM 673 CB CYS A 49 31.627 2.778 7.276 1.00 0.00 C ATOM 674 SG CYS A 49 31.059 4.397 7.846 1.00 0.00 S ATOM 0 H CYS A 49 33.693 0.641 6.956 1.00 0.00 H new ATOM 0 HA CYS A 49 32.890 2.509 9.081 1.00 0.00 H new ATOM 0 HB2 CYS A 49 32.172 2.925 6.343 1.00 0.00 H new ATOM 0 HB3 CYS A 49 30.747 2.180 7.040 1.00 0.00 H new ATOM 679 N PHE A 50 30.788 1.203 9.647 1.00 0.00 N ATOM 680 CA PHE A 50 29.893 0.239 10.289 1.00 0.00 C ATOM 681 C PHE A 50 28.538 0.861 10.405 1.00 0.00 C ATOM 682 O PHE A 50 28.417 2.023 10.736 1.00 0.00 O ATOM 683 CB PHE A 50 30.384 -0.081 11.694 1.00 0.00 C ATOM 684 CG PHE A 50 30.613 -1.589 11.827 1.00 0.00 C ATOM 685 CD1 PHE A 50 29.559 -2.433 12.139 1.00 0.00 C ATOM 686 CD2 PHE A 50 31.871 -2.128 11.640 1.00 0.00 C ATOM 687 CE1 PHE A 50 29.765 -3.793 12.259 1.00 0.00 C ATOM 688 CE2 PHE A 50 32.074 -3.489 11.760 1.00 0.00 C ATOM 689 CZ PHE A 50 31.020 -4.319 12.069 1.00 0.00 C ATOM 0 H PHE A 50 30.646 2.175 9.923 1.00 0.00 H new ATOM 0 HA PHE A 50 29.864 -0.675 9.695 1.00 0.00 H new ATOM 0 HB2 PHE A 50 31.310 0.457 11.898 1.00 0.00 H new ATOM 0 HB3 PHE A 50 29.653 0.252 12.430 1.00 0.00 H new ATOM 0 HD1 PHE A 50 28.571 -2.025 12.289 1.00 0.00 H new ATOM 0 HD2 PHE A 50 32.701 -1.481 11.398 1.00 0.00 H new ATOM 0 HE1 PHE A 50 28.939 -4.444 12.503 1.00 0.00 H new ATOM 0 HE2 PHE A 50 33.061 -3.902 11.611 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.180 -5.383 12.162 1.00 0.00 H new ATOM 699 N CYS A 51 27.554 0.088 10.140 1.00 0.00 N ATOM 700 CA CYS A 51 26.155 0.628 10.231 1.00 0.00 C ATOM 701 C CYS A 51 25.399 -0.040 11.352 1.00 0.00 C ATOM 702 O CYS A 51 25.210 -1.241 11.348 1.00 0.00 O ATOM 703 CB CYS A 51 25.426 0.380 8.900 1.00 0.00 C ATOM 704 SG CYS A 51 23.850 1.238 8.644 1.00 0.00 S ATOM 0 H CYS A 51 27.632 -0.891 9.864 1.00 0.00 H new ATOM 0 HA CYS A 51 26.204 1.698 10.434 1.00 0.00 H new ATOM 0 HB2 CYS A 51 26.099 0.661 8.089 1.00 0.00 H new ATOM 0 HB3 CYS A 51 25.246 -0.691 8.808 1.00 0.00 H new ATOM 709 N VAL A 52 24.972 0.756 12.305 1.00 0.00 N ATOM 710 CA VAL A 52 24.223 0.168 13.440 1.00 0.00 C ATOM 711 C VAL A 52 22.727 0.204 13.170 1.00 0.00 C ATOM 712 O VAL A 52 21.942 -0.280 13.960 1.00 0.00 O ATOM 713 CB VAL A 52 24.544 0.952 14.724 1.00 0.00 C ATOM 714 CG1 VAL A 52 25.934 0.538 15.218 1.00 0.00 C ATOM 715 CG2 VAL A 52 24.548 2.447 14.433 1.00 0.00 C ATOM 0 H VAL A 52 25.110 1.766 12.339 1.00 0.00 H new ATOM 0 HA VAL A 52 24.525 -0.872 13.562 1.00 0.00 H new ATOM 0 HB VAL A 52 23.790 0.735 15.480 1.00 0.00 H new ATOM 0 HG11 VAL A 52 26.175 1.087 16.129 1.00 0.00 H new ATOM 0 HG12 VAL A 52 25.942 -0.532 15.426 1.00 0.00 H new ATOM 0 HG13 VAL A 52 26.675 0.764 14.451 1.00 0.00 H new ATOM 0 HG21 VAL A 52 24.776 2.995 15.347 1.00 0.00 H new ATOM 0 HG22 VAL A 52 25.303 2.669 13.679 1.00 0.00 H new ATOM 0 HG23 VAL A 52 23.568 2.749 14.064 1.00 0.00 H new ATOM 725 N ASP A 53 22.352 0.784 12.055 1.00 0.00 N ATOM 726 CA ASP A 53 20.904 0.847 11.733 1.00 0.00 C ATOM 727 C ASP A 53 20.374 -0.580 11.635 1.00 0.00 C ATOM 728 O ASP A 53 21.148 -1.497 11.441 1.00 0.00 O ATOM 729 CB ASP A 53 20.736 1.550 10.376 1.00 0.00 C ATOM 730 CG ASP A 53 19.359 2.213 10.315 1.00 0.00 C ATOM 731 OD1 ASP A 53 18.398 1.464 10.302 1.00 0.00 O ATOM 732 OD2 ASP A 53 19.347 3.433 10.284 1.00 0.00 O ATOM 0 H ASP A 53 22.978 1.207 11.369 1.00 0.00 H new ATOM 0 HA ASP A 53 20.358 1.395 12.501 1.00 0.00 H new ATOM 0 HB2 ASP A 53 21.518 2.297 10.242 1.00 0.00 H new ATOM 0 HB3 ASP A 53 20.841 0.829 9.565 1.00 0.00 H new ATOM 737 N ILE A 54 19.080 -0.766 11.773 1.00 0.00 N ATOM 738 CA ILE A 54 18.564 -2.141 11.682 1.00 0.00 C ATOM 739 C ILE A 54 17.176 -2.237 11.075 1.00 0.00 C ATOM 740 O ILE A 54 16.515 -1.255 10.803 1.00 0.00 O ATOM 741 CB ILE A 54 18.474 -2.685 13.094 1.00 0.00 C ATOM 742 CG1 ILE A 54 18.353 -1.532 14.095 1.00 0.00 C ATOM 743 CG2 ILE A 54 19.753 -3.490 13.397 1.00 0.00 C ATOM 744 CD1 ILE A 54 17.805 -2.060 15.431 1.00 0.00 C ATOM 0 H ILE A 54 18.387 -0.037 11.940 1.00 0.00 H new ATOM 0 HA ILE A 54 19.242 -2.699 11.036 1.00 0.00 H new ATOM 0 HB ILE A 54 17.595 -3.324 13.182 1.00 0.00 H new ATOM 0 HG12 ILE A 54 19.327 -1.068 14.249 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.691 -0.762 13.699 1.00 0.00 H new ATOM 0 HG21 ILE A 54 19.701 -3.887 14.411 1.00 0.00 H new ATOM 0 HG22 ILE A 54 19.841 -4.314 12.688 1.00 0.00 H new ATOM 0 HG23 ILE A 54 20.623 -2.839 13.306 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.720 -1.237 16.140 1.00 0.00 H new ATOM 0 HD12 ILE A 54 16.822 -2.504 15.271 1.00 0.00 H new ATOM 0 HD13 ILE A 54 18.483 -2.814 15.830 1.00 0.00 H new ATOM 756 N THR A 55 16.785 -3.463 10.883 1.00 0.00 N ATOM 757 CA THR A 55 15.465 -3.770 10.304 1.00 0.00 C ATOM 758 C THR A 55 15.034 -5.157 10.803 1.00 0.00 C ATOM 759 O THR A 55 15.412 -5.551 11.896 1.00 0.00 O ATOM 760 CB THR A 55 15.577 -3.747 8.763 1.00 0.00 C ATOM 761 OG1 THR A 55 14.307 -4.116 8.288 1.00 0.00 O ATOM 762 CG2 THR A 55 16.525 -4.841 8.235 1.00 0.00 C ATOM 0 H THR A 55 17.347 -4.283 11.112 1.00 0.00 H new ATOM 0 HA THR A 55 14.720 -3.034 10.607 1.00 0.00 H new ATOM 0 HB THR A 55 15.935 -2.767 8.449 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.301 -4.079 7.309 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.573 -4.787 7.147 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.522 -4.690 8.650 1.00 0.00 H new ATOM 0 HG23 THR A 55 16.152 -5.821 8.534 1.00 0.00 H new ATOM 770 N ASP A 56 14.278 -5.883 10.014 1.00 0.00 N ATOM 771 CA ASP A 56 13.844 -7.232 10.474 1.00 0.00 C ATOM 772 C ASP A 56 13.786 -8.233 9.322 1.00 0.00 C ATOM 773 O ASP A 56 13.032 -9.185 9.371 1.00 0.00 O ATOM 774 CB ASP A 56 12.442 -7.099 11.082 1.00 0.00 C ATOM 775 CG ASP A 56 12.522 -6.250 12.352 1.00 0.00 C ATOM 776 OD1 ASP A 56 12.806 -5.073 12.200 1.00 0.00 O ATOM 777 OD2 ASP A 56 12.297 -6.826 13.404 1.00 0.00 O ATOM 0 H ASP A 56 13.950 -5.604 9.089 1.00 0.00 H new ATOM 0 HA ASP A 56 14.566 -7.600 11.203 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.764 -6.638 10.364 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.038 -8.085 11.314 1.00 0.00 H new ATOM 782 N PHE A 57 14.578 -8.010 8.305 1.00 0.00 N ATOM 783 CA PHE A 57 14.555 -8.964 7.158 1.00 0.00 C ATOM 784 C PHE A 57 15.835 -8.900 6.306 1.00 0.00 C ATOM 785 O PHE A 57 15.974 -9.644 5.356 1.00 0.00 O ATOM 786 CB PHE A 57 13.352 -8.623 6.267 1.00 0.00 C ATOM 787 CG PHE A 57 12.994 -7.143 6.422 1.00 0.00 C ATOM 788 CD1 PHE A 57 13.574 -6.190 5.601 1.00 0.00 C ATOM 789 CD2 PHE A 57 12.067 -6.738 7.369 1.00 0.00 C ATOM 790 CE1 PHE A 57 13.233 -4.860 5.726 1.00 0.00 C ATOM 791 CE2 PHE A 57 11.728 -5.406 7.490 1.00 0.00 C ATOM 792 CZ PHE A 57 12.310 -4.469 6.668 1.00 0.00 C ATOM 0 H PHE A 57 15.226 -7.227 8.219 1.00 0.00 H new ATOM 0 HA PHE A 57 14.484 -9.972 7.566 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.586 -8.843 5.225 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.498 -9.243 6.540 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.298 -6.491 4.858 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.607 -7.470 8.017 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.692 -4.123 5.083 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.005 -5.099 8.231 1.00 0.00 H new ATOM 0 HZ PHE A 57 12.042 -3.427 6.762 1.00 0.00 H new ATOM 802 N CYS A 58 16.742 -8.026 6.655 1.00 0.00 N ATOM 803 CA CYS A 58 17.996 -7.925 5.865 1.00 0.00 C ATOM 804 C CYS A 58 17.692 -7.818 4.378 1.00 0.00 C ATOM 805 O CYS A 58 17.443 -8.803 3.710 1.00 0.00 O ATOM 806 CB CYS A 58 18.841 -9.180 6.114 1.00 0.00 C ATOM 807 SG CYS A 58 20.355 -8.977 7.090 1.00 0.00 S ATOM 0 H CYS A 58 16.667 -7.385 7.445 1.00 0.00 H new ATOM 0 HA CYS A 58 18.536 -7.031 6.175 1.00 0.00 H new ATOM 0 HB2 CYS A 58 18.213 -9.917 6.614 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.116 -9.600 5.146 1.00 0.00 H new ATOM 812 N TYR A 59 17.715 -6.614 3.895 1.00 0.00 N ATOM 813 CA TYR A 59 17.434 -6.385 2.455 1.00 0.00 C ATOM 814 C TYR A 59 18.131 -7.430 1.571 1.00 0.00 C ATOM 815 O TYR A 59 18.978 -8.172 2.030 1.00 0.00 O ATOM 816 CB TYR A 59 17.953 -4.986 2.089 1.00 0.00 C ATOM 817 CG TYR A 59 17.813 -4.060 3.305 1.00 0.00 C ATOM 818 CD1 TYR A 59 16.566 -3.689 3.764 1.00 0.00 C ATOM 819 CD2 TYR A 59 18.935 -3.579 3.954 1.00 0.00 C ATOM 820 CE1 TYR A 59 16.440 -2.851 4.853 1.00 0.00 C ATOM 821 CE2 TYR A 59 18.808 -2.741 5.043 1.00 0.00 C ATOM 822 CZ TYR A 59 17.561 -2.370 5.502 1.00 0.00 C ATOM 823 OH TYR A 59 17.434 -1.532 6.591 1.00 0.00 O ATOM 0 H TYR A 59 17.917 -5.774 4.437 1.00 0.00 H new ATOM 0 HA TYR A 59 16.361 -6.468 2.284 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.996 -5.042 1.778 1.00 0.00 H new ATOM 0 HB3 TYR A 59 17.390 -4.586 1.246 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.681 -4.058 3.267 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.918 -3.861 3.606 1.00 0.00 H new ATOM 0 HE1 TYR A 59 15.457 -2.569 5.201 1.00 0.00 H new ATOM 0 HE2 TYR A 59 19.693 -2.372 5.540 1.00 0.00 H new ATOM 0 HH TYR A 59 18.324 -1.291 6.924 1.00 0.00 H new ATOM 833 N GLU A 60 17.758 -7.459 0.314 1.00 0.00 N ATOM 834 CA GLU A 60 18.375 -8.442 -0.627 1.00 0.00 C ATOM 835 C GLU A 60 19.762 -7.952 -1.112 1.00 0.00 C ATOM 836 O GLU A 60 19.976 -6.763 -1.250 1.00 0.00 O ATOM 837 CB GLU A 60 17.434 -8.564 -1.842 1.00 0.00 C ATOM 838 CG GLU A 60 16.166 -9.312 -1.420 1.00 0.00 C ATOM 839 CD GLU A 60 16.353 -10.810 -1.666 1.00 0.00 C ATOM 840 OE1 GLU A 60 16.694 -11.136 -2.790 1.00 0.00 O ATOM 841 OE2 GLU A 60 16.141 -11.544 -0.715 1.00 0.00 O ATOM 0 H GLU A 60 17.055 -6.846 -0.099 1.00 0.00 H new ATOM 0 HA GLU A 60 18.512 -9.399 -0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.178 -7.574 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.933 -9.096 -2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 60 15.956 -9.129 -0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.309 -8.944 -1.984 1.00 0.00 H new ATOM 848 N PRO A 61 20.676 -8.885 -1.404 1.00 0.00 N ATOM 849 CA PRO A 61 22.017 -8.519 -1.869 1.00 0.00 C ATOM 850 C PRO A 61 21.974 -7.368 -2.865 1.00 0.00 C ATOM 851 O PRO A 61 20.985 -7.153 -3.537 1.00 0.00 O ATOM 852 CB PRO A 61 22.556 -9.797 -2.537 1.00 0.00 C ATOM 853 CG PRO A 61 21.616 -10.966 -2.108 1.00 0.00 C ATOM 854 CD PRO A 61 20.424 -10.340 -1.361 1.00 0.00 C ATOM 0 HA PRO A 61 22.648 -8.175 -1.049 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.568 -9.690 -3.622 1.00 0.00 H new ATOM 0 HB3 PRO A 61 23.582 -9.992 -2.225 1.00 0.00 H new ATOM 0 HG2 PRO A 61 21.274 -11.524 -2.979 1.00 0.00 H new ATOM 0 HG3 PRO A 61 22.146 -11.670 -1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.479 -10.592 -1.842 1.00 0.00 H new ATOM 0 HD3 PRO A 61 20.366 -10.702 -0.334 1.00 0.00 H new ATOM 862 N CYS A 62 23.060 -6.654 -2.933 1.00 0.00 N ATOM 863 CA CYS A 62 23.138 -5.504 -3.861 1.00 0.00 C ATOM 864 C CYS A 62 23.954 -5.838 -5.091 1.00 0.00 C ATOM 865 O CYS A 62 24.195 -6.986 -5.403 1.00 0.00 O ATOM 866 CB CYS A 62 23.848 -4.359 -3.115 1.00 0.00 C ATOM 867 SG CYS A 62 23.521 -2.662 -3.647 1.00 0.00 S ATOM 0 H CYS A 62 23.901 -6.822 -2.380 1.00 0.00 H new ATOM 0 HA CYS A 62 22.131 -5.234 -4.179 1.00 0.00 H new ATOM 0 HB2 CYS A 62 23.584 -4.434 -2.060 1.00 0.00 H new ATOM 0 HB3 CYS A 62 24.922 -4.530 -3.187 1.00 0.00 H new ATOM 872 N LYS A 63 24.357 -4.812 -5.764 1.00 0.00 N ATOM 873 CA LYS A 63 25.169 -5.005 -6.993 1.00 0.00 C ATOM 874 C LYS A 63 24.600 -6.113 -7.889 1.00 0.00 C ATOM 875 O LYS A 63 25.157 -7.189 -7.975 1.00 0.00 O ATOM 876 CB LYS A 63 26.580 -5.420 -6.557 1.00 0.00 C ATOM 877 CG LYS A 63 27.187 -4.301 -5.708 1.00 0.00 C ATOM 878 CD LYS A 63 28.288 -3.604 -6.506 1.00 0.00 C ATOM 879 CE LYS A 63 28.683 -2.311 -5.791 1.00 0.00 C ATOM 880 NZ LYS A 63 28.801 -2.537 -4.322 1.00 0.00 N ATOM 0 H LYS A 63 24.161 -3.841 -5.520 1.00 0.00 H new ATOM 0 HA LYS A 63 25.166 -4.075 -7.562 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.540 -6.347 -5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 63 27.203 -5.611 -7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 63 26.416 -3.584 -5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.595 -4.710 -4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.154 -4.259 -6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 63 27.939 -3.384 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.632 -1.946 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 63 27.939 -1.539 -5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.393 -1.792 -3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.855 -2.512 -3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.237 -3.465 -4.147 1.00 0.00 H new ATOM 894 N PRO A 64 23.493 -5.826 -8.538 1.00 0.00 N ATOM 895 CA PRO A 64 22.852 -6.798 -9.424 1.00 0.00 C ATOM 896 C PRO A 64 23.703 -7.049 -10.668 1.00 0.00 C ATOM 897 O PRO A 64 24.144 -6.121 -11.318 1.00 0.00 O ATOM 898 CB PRO A 64 21.519 -6.141 -9.833 1.00 0.00 C ATOM 899 CG PRO A 64 21.467 -4.735 -9.165 1.00 0.00 C ATOM 900 CD PRO A 64 22.793 -4.538 -8.411 1.00 0.00 C ATOM 0 HA PRO A 64 22.717 -7.761 -8.931 1.00 0.00 H new ATOM 0 HB2 PRO A 64 21.451 -6.053 -10.917 1.00 0.00 H new ATOM 0 HB3 PRO A 64 20.676 -6.751 -9.509 1.00 0.00 H new ATOM 0 HG2 PRO A 64 21.333 -3.957 -9.917 1.00 0.00 H new ATOM 0 HG3 PRO A 64 20.622 -4.666 -8.480 1.00 0.00 H new ATOM 0 HD2 PRO A 64 23.377 -3.726 -8.844 1.00 0.00 H new ATOM 0 HD3 PRO A 64 22.619 -4.284 -7.365 1.00 0.00 H new ATOM 908 N SER A 65 23.920 -8.298 -10.977 1.00 0.00 N ATOM 909 CA SER A 65 24.739 -8.619 -12.174 1.00 0.00 C ATOM 910 C SER A 65 23.867 -8.729 -13.420 1.00 0.00 C ATOM 911 O SER A 65 24.354 -9.004 -14.499 1.00 0.00 O ATOM 912 CB SER A 65 25.431 -9.968 -11.935 1.00 0.00 C ATOM 913 OG SER A 65 26.441 -10.020 -12.932 1.00 0.00 O ATOM 0 H SER A 65 23.568 -9.102 -10.456 1.00 0.00 H new ATOM 0 HA SER A 65 25.467 -7.823 -12.330 1.00 0.00 H new ATOM 0 HB2 SER A 65 25.856 -10.026 -10.933 1.00 0.00 H new ATOM 0 HB3 SER A 65 24.731 -10.798 -12.033 1.00 0.00 H new ATOM 0 HG SER A 65 26.073 -9.715 -13.787 1.00 0.00 H new ATOM 919 N GLU A 66 22.591 -8.508 -13.251 1.00 0.00 N ATOM 920 CA GLU A 66 21.677 -8.595 -14.417 1.00 0.00 C ATOM 921 C GLU A 66 21.472 -7.220 -15.049 1.00 0.00 C ATOM 922 O GLU A 66 20.357 -6.763 -15.207 1.00 0.00 O ATOM 923 CB GLU A 66 20.324 -9.132 -13.925 1.00 0.00 C ATOM 924 CG GLU A 66 19.619 -9.851 -15.075 1.00 0.00 C ATOM 925 CD GLU A 66 18.248 -10.336 -14.602 1.00 0.00 C ATOM 926 OE1 GLU A 66 17.434 -9.471 -14.322 1.00 0.00 O ATOM 927 OE2 GLU A 66 18.091 -11.545 -14.544 1.00 0.00 O ATOM 0 H GLU A 66 22.148 -8.273 -12.363 1.00 0.00 H new ATOM 0 HA GLU A 66 22.110 -9.256 -15.168 1.00 0.00 H new ATOM 0 HB2 GLU A 66 20.473 -9.816 -13.090 1.00 0.00 H new ATOM 0 HB3 GLU A 66 19.705 -8.312 -13.559 1.00 0.00 H new ATOM 0 HG2 GLU A 66 19.506 -9.178 -15.925 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.219 -10.695 -15.414 1.00 0.00 H new ATOM 934 N ASP A 67 22.557 -6.586 -15.403 1.00 0.00 N ATOM 935 CA ASP A 67 22.449 -5.243 -16.024 1.00 0.00 C ATOM 936 C ASP A 67 21.357 -5.221 -17.085 1.00 0.00 C ATOM 937 O ASP A 67 21.266 -6.111 -17.907 1.00 0.00 O ATOM 938 CB ASP A 67 23.791 -4.906 -16.690 1.00 0.00 C ATOM 939 CG ASP A 67 23.995 -5.810 -17.908 1.00 0.00 C ATOM 940 OD1 ASP A 67 24.059 -7.008 -17.690 1.00 0.00 O ATOM 941 OD2 ASP A 67 24.075 -5.249 -18.990 1.00 0.00 O ATOM 0 H ASP A 67 23.507 -6.941 -15.288 1.00 0.00 H new ATOM 0 HA ASP A 67 22.200 -4.515 -15.252 1.00 0.00 H new ATOM 0 HB2 ASP A 67 23.806 -3.859 -16.994 1.00 0.00 H new ATOM 0 HB3 ASP A 67 24.607 -5.044 -15.980 1.00 0.00 H new ATOM 946 N ASP A 68 20.544 -4.201 -17.047 1.00 0.00 N ATOM 947 CA ASP A 68 19.451 -4.102 -18.045 1.00 0.00 C ATOM 948 C ASP A 68 19.934 -3.375 -19.293 1.00 0.00 C ATOM 949 O ASP A 68 19.255 -3.346 -20.300 1.00 0.00 O ATOM 950 CB ASP A 68 18.298 -3.302 -17.420 1.00 0.00 C ATOM 951 CG ASP A 68 17.181 -3.136 -18.452 1.00 0.00 C ATOM 952 OD1 ASP A 68 16.988 -4.080 -19.199 1.00 0.00 O ATOM 953 OD2 ASP A 68 16.584 -2.072 -18.436 1.00 0.00 O ATOM 0 H ASP A 68 20.591 -3.438 -16.371 1.00 0.00 H new ATOM 0 HA ASP A 68 19.125 -5.104 -18.325 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.920 -3.817 -16.537 1.00 0.00 H new ATOM 0 HB3 ASP A 68 18.654 -2.325 -17.092 1.00 0.00 H new ATOM 958 N LYS A 69 21.102 -2.800 -19.202 1.00 0.00 N ATOM 959 CA LYS A 69 21.651 -2.070 -20.369 1.00 0.00 C ATOM 960 C LYS A 69 22.460 -3.005 -21.260 1.00 0.00 C ATOM 961 O LYS A 69 23.481 -3.524 -20.854 1.00 0.00 O ATOM 962 CB LYS A 69 22.574 -0.958 -19.848 1.00 0.00 C ATOM 963 CG LYS A 69 21.858 -0.195 -18.731 1.00 0.00 C ATOM 964 CD LYS A 69 22.568 1.140 -18.495 1.00 0.00 C ATOM 965 CE LYS A 69 22.095 1.729 -17.164 1.00 0.00 C ATOM 966 NZ LYS A 69 23.075 1.426 -16.084 1.00 0.00 N ATOM 0 H LYS A 69 21.694 -2.806 -18.372 1.00 0.00 H new ATOM 0 HA LYS A 69 20.829 -1.657 -20.954 1.00 0.00 H new ATOM 0 HB2 LYS A 69 23.504 -1.386 -19.475 1.00 0.00 H new ATOM 0 HB3 LYS A 69 22.838 -0.278 -20.658 1.00 0.00 H new ATOM 0 HG2 LYS A 69 20.816 -0.023 -19.002 1.00 0.00 H new ATOM 0 HG3 LYS A 69 21.856 -0.786 -17.815 1.00 0.00 H new ATOM 0 HD2 LYS A 69 23.648 0.994 -18.479 1.00 0.00 H new ATOM 0 HD3 LYS A 69 22.352 1.831 -19.310 1.00 0.00 H new ATOM 0 HE2 LYS A 69 21.972 2.808 -17.260 1.00 0.00 H new ATOM 0 HE3 LYS A 69 21.119 1.319 -16.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 22.740 1.832 -15.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 23.172 0.396 -15.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 23.998 1.838 -16.327 1.00 0.00 H new ATOM 980 N GLU A 70 21.983 -3.203 -22.462 1.00 0.00 N ATOM 981 CA GLU A 70 22.703 -4.099 -23.405 1.00 0.00 C ATOM 982 C GLU A 70 22.713 -3.501 -24.805 1.00 0.00 C ATOM 983 O GLU A 70 22.837 -4.207 -25.786 1.00 0.00 O ATOM 984 CB GLU A 70 21.970 -5.449 -23.449 1.00 0.00 C ATOM 985 CG GLU A 70 21.909 -6.037 -22.038 1.00 0.00 C ATOM 986 CD GLU A 70 21.262 -7.422 -22.094 1.00 0.00 C ATOM 987 OE1 GLU A 70 21.995 -8.351 -22.395 1.00 0.00 O ATOM 988 OE2 GLU A 70 20.072 -7.476 -21.833 1.00 0.00 O ATOM 0 H GLU A 70 21.128 -2.783 -22.827 1.00 0.00 H new ATOM 0 HA GLU A 70 23.731 -4.225 -23.067 1.00 0.00 H new ATOM 0 HB2 GLU A 70 20.963 -5.316 -23.844 1.00 0.00 H new ATOM 0 HB3 GLU A 70 22.487 -6.135 -24.119 1.00 0.00 H new ATOM 0 HG2 GLU A 70 22.912 -6.109 -21.618 1.00 0.00 H new ATOM 0 HG3 GLU A 70 21.335 -5.381 -21.383 1.00 0.00 H new ATOM 995 N ASN A 71 22.580 -2.205 -24.871 1.00 0.00 N ATOM 996 CA ASN A 71 22.579 -1.539 -26.196 1.00 0.00 C ATOM 997 C ASN A 71 23.113 -0.115 -26.085 1.00 0.00 C ATOM 998 O ASN A 71 22.399 0.686 -25.505 1.00 0.00 O ATOM 999 CB ASN A 71 21.134 -1.483 -26.711 1.00 0.00 C ATOM 1000 CG ASN A 71 21.046 -0.466 -27.849 1.00 0.00 C ATOM 1001 OD1 ASN A 71 21.120 0.728 -27.637 1.00 0.00 O ATOM 1002 ND2 ASN A 71 20.888 -0.897 -29.072 1.00 0.00 N ATOM 1003 OXT ASN A 71 24.206 0.095 -26.585 1.00 0.00 O ATOM 0 H ASN A 71 22.473 -1.585 -24.068 1.00 0.00 H new ATOM 0 HA ASN A 71 23.217 -2.102 -26.877 1.00 0.00 H new ATOM 0 HB2 ASN A 71 20.822 -2.467 -27.061 1.00 0.00 H new ATOM 0 HB3 ASN A 71 20.458 -1.203 -25.903 1.00 0.00 H new ATOM 0 HD21 ASN A 71 20.827 -0.232 -29.843 1.00 0.00 H new ATOM 0 HD22 ASN A 71 20.825 -1.898 -29.256 1.00 0.00 H new TER 1010 ASN A 71