USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 482 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 13 THR OG1 : rot 180:sc= 0.0577 USER MOD Set 1.2: A 17 ASN : amide:sc= -2.04 K(o=-2,f=-4.2!) USER MOD Set 2.1: A 8 ASN : amide:sc= -0.0214 X(o=-0.0059,f=-0.092) USER MOD Set 2.2: A 27 SER OG : rot 131:sc= 0.0155 USER MOD Set 3.1: A 1 LYS NZ :NH3+ 162:sc= -0.0547 (180deg=-0.466) USER MOD Set 3.2: A 5 THR OG1 : rot 130:sc=-0.00594 USER MOD Single : A 1 LYS N :NH3+ 137:sc= -0.188 (180deg=-1.64!) USER MOD Single : A 2 ASN : amide:sc= -0.435 K(o=-0.43,f=-1.9!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 141:sc= -1.1 USER MOD Single : A 26 ASN : amide:sc= -0.697 X(o=-0.7,f=-0.64) USER MOD Single : A 28 HIS : no HE2:sc= 0.169 K(o=0.17,f=-2.4!) USER MOD Single : A 30 HIS : no HD1:sc= -0.352 X(o=-0.35,f=0.022) USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0259) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0226) USER MOD Single : A 36 ASN : amide:sc= -1.83 K(o=-1.8,f=-16!) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0538 USER MOD Single : A 43 ASN : amide:sc= -0.741 X(o=-0.74,f=-0.65) USER MOD Single : A 45 ASN : amide:sc= -3.82! C(o=-3.8!,f=-5.8!) USER MOD Single : A 46 ASN : amide:sc= -3.84 K(o=-3.8,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 71:sc= 1.09 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 8.460 -16.682 -12.905 1.00 0.00 N ATOM 2 CA LYS A 1 7.040 -16.227 -12.964 1.00 0.00 C ATOM 3 C LYS A 1 6.904 -15.091 -13.984 1.00 0.00 C ATOM 4 O LYS A 1 7.876 -14.681 -14.599 1.00 0.00 O ATOM 5 CB LYS A 1 6.599 -15.734 -11.581 1.00 0.00 C ATOM 6 CG LYS A 1 7.530 -14.615 -11.105 1.00 0.00 C ATOM 7 CD LYS A 1 7.671 -14.682 -9.583 1.00 0.00 C ATOM 8 CE LYS A 1 8.759 -13.709 -9.128 1.00 0.00 C ATOM 9 NZ LYS A 1 8.434 -12.337 -9.612 1.00 0.00 N ATOM 0 H1 LYS A 1 8.737 -16.827 -11.913 1.00 0.00 H new ATOM 0 H2 LYS A 1 8.560 -17.576 -13.427 1.00 0.00 H new ATOM 0 H3 LYS A 1 9.074 -15.960 -13.334 1.00 0.00 H new ATOM 0 HA LYS A 1 6.407 -17.061 -13.268 1.00 0.00 H new ATOM 0 HB2 LYS A 1 5.572 -15.371 -11.625 1.00 0.00 H new ATOM 0 HB3 LYS A 1 6.615 -16.559 -10.869 1.00 0.00 H new ATOM 0 HG2 LYS A 1 8.508 -14.716 -11.576 1.00 0.00 H new ATOM 0 HG3 LYS A 1 7.131 -13.645 -11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 1 6.722 -14.431 -9.108 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.924 -15.697 -9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 1 8.834 -13.714 -8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 1 9.728 -14.023 -9.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 8.980 -11.639 -9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 8.677 -12.258 -10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 7.418 -12.156 -9.486 1.00 0.00 H new ATOM 25 N ASN A 2 5.699 -14.589 -14.159 1.00 0.00 N ATOM 26 CA ASN A 2 5.456 -13.477 -15.134 1.00 0.00 C ATOM 27 C ASN A 2 4.683 -12.342 -14.442 1.00 0.00 C ATOM 28 O ASN A 2 3.959 -11.592 -15.081 1.00 0.00 O ATOM 29 CB ASN A 2 4.650 -14.015 -16.325 1.00 0.00 C ATOM 30 CG ASN A 2 3.404 -14.749 -15.819 1.00 0.00 C ATOM 31 OD1 ASN A 2 2.578 -14.172 -15.140 1.00 0.00 O ATOM 32 ND2 ASN A 2 3.233 -16.007 -16.126 1.00 0.00 N ATOM 0 H ASN A 2 4.867 -14.908 -13.662 1.00 0.00 H new ATOM 0 HA ASN A 2 6.409 -13.087 -15.492 1.00 0.00 H new ATOM 0 HB2 ASN A 2 4.359 -13.194 -16.980 1.00 0.00 H new ATOM 0 HB3 ASN A 2 5.266 -14.691 -16.917 1.00 0.00 H new ATOM 0 HD21 ASN A 2 2.406 -16.505 -15.796 1.00 0.00 H new ATOM 0 HD22 ASN A 2 3.926 -16.492 -16.696 1.00 0.00 H new ATOM 39 N ARG A 3 4.846 -12.211 -13.139 1.00 0.00 N ATOM 40 CA ARG A 3 4.142 -11.132 -12.373 1.00 0.00 C ATOM 41 C ARG A 3 5.024 -9.870 -12.332 1.00 0.00 C ATOM 42 O ARG A 3 6.217 -9.963 -12.560 1.00 0.00 O ATOM 43 CB ARG A 3 3.880 -11.613 -10.943 1.00 0.00 C ATOM 44 CG ARG A 3 2.631 -12.500 -10.918 1.00 0.00 C ATOM 45 CD ARG A 3 3.028 -13.953 -11.191 1.00 0.00 C ATOM 46 NE ARG A 3 3.231 -14.666 -9.899 1.00 0.00 N ATOM 47 CZ ARG A 3 2.505 -15.712 -9.609 1.00 0.00 C ATOM 48 NH1 ARG A 3 1.205 -15.612 -9.563 1.00 0.00 N ATOM 49 NH2 ARG A 3 3.079 -16.860 -9.373 1.00 0.00 N ATOM 0 H ARG A 3 5.443 -12.814 -12.573 1.00 0.00 H new ATOM 0 HA ARG A 3 3.196 -10.899 -12.861 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.741 -12.170 -10.573 1.00 0.00 H new ATOM 0 HB3 ARG A 3 3.744 -10.758 -10.280 1.00 0.00 H new ATOM 0 HG2 ARG A 3 2.137 -12.423 -9.949 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.916 -12.161 -11.668 1.00 0.00 H new ATOM 0 HD2 ARG A 3 2.252 -14.449 -11.774 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.942 -13.986 -11.784 1.00 0.00 H new ATOM 0 HE ARG A 3 3.937 -14.337 -9.241 1.00 0.00 H new ATOM 0 HH11 ARG A 3 0.755 -14.717 -9.754 1.00 0.00 H new ATOM 0 HH12 ARG A 3 0.638 -16.429 -9.336 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.095 -16.940 -9.415 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.512 -17.677 -9.146 1.00 0.00 H new ATOM 63 N PRO A 4 4.420 -8.722 -12.038 1.00 0.00 N ATOM 64 CA PRO A 4 5.154 -7.438 -11.959 1.00 0.00 C ATOM 65 C PRO A 4 5.911 -7.346 -10.638 1.00 0.00 C ATOM 66 O PRO A 4 7.068 -6.957 -10.596 1.00 0.00 O ATOM 67 CB PRO A 4 4.050 -6.380 -11.998 1.00 0.00 C ATOM 68 CG PRO A 4 2.760 -7.081 -11.517 1.00 0.00 C ATOM 69 CD PRO A 4 2.966 -8.589 -11.757 1.00 0.00 C ATOM 0 HA PRO A 4 5.886 -7.321 -12.758 1.00 0.00 H new ATOM 0 HB2 PRO A 4 4.297 -5.536 -11.354 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.925 -5.985 -13.006 1.00 0.00 H new ATOM 0 HG2 PRO A 4 2.578 -6.877 -10.462 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.892 -6.716 -12.066 1.00 0.00 H new ATOM 0 HD2 PRO A 4 2.674 -9.174 -10.885 1.00 0.00 H new ATOM 0 HD3 PRO A 4 2.365 -8.944 -12.594 1.00 0.00 H new ATOM 77 N THR A 5 5.242 -7.693 -9.564 1.00 0.00 N ATOM 78 CA THR A 5 5.855 -7.634 -8.203 1.00 0.00 C ATOM 79 C THR A 5 6.316 -6.201 -7.903 1.00 0.00 C ATOM 80 O THR A 5 7.229 -5.979 -7.120 1.00 0.00 O ATOM 81 CB THR A 5 7.040 -8.604 -8.110 1.00 0.00 C ATOM 82 OG1 THR A 5 6.805 -9.743 -8.929 1.00 0.00 O ATOM 83 CG2 THR A 5 7.201 -9.048 -6.658 1.00 0.00 C ATOM 0 H THR A 5 4.276 -8.021 -9.577 1.00 0.00 H new ATOM 0 HA THR A 5 5.109 -7.929 -7.465 1.00 0.00 H new ATOM 0 HB THR A 5 7.946 -8.104 -8.452 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.586 -9.902 -9.500 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.041 -9.738 -6.580 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.387 -8.177 -6.030 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.290 -9.546 -6.327 1.00 0.00 H new ATOM 91 N PHE A 6 5.662 -5.229 -8.510 1.00 0.00 N ATOM 92 CA PHE A 6 6.010 -3.787 -8.275 1.00 0.00 C ATOM 93 C PHE A 6 5.842 -3.397 -6.788 1.00 0.00 C ATOM 94 O PHE A 6 6.211 -2.301 -6.406 1.00 0.00 O ATOM 95 CB PHE A 6 5.144 -2.852 -9.155 1.00 0.00 C ATOM 96 CG PHE A 6 3.679 -3.293 -9.261 1.00 0.00 C ATOM 97 CD1 PHE A 6 3.089 -4.150 -8.316 1.00 0.00 C ATOM 98 CD2 PHE A 6 2.903 -2.807 -10.322 1.00 0.00 C ATOM 99 CE1 PHE A 6 1.751 -4.524 -8.436 1.00 0.00 C ATOM 100 CE2 PHE A 6 1.557 -3.177 -10.437 1.00 0.00 C ATOM 101 CZ PHE A 6 0.982 -4.038 -9.496 1.00 0.00 C ATOM 0 H PHE A 6 4.894 -5.378 -9.165 1.00 0.00 H new ATOM 0 HA PHE A 6 7.058 -3.666 -8.551 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.182 -1.843 -8.745 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.574 -2.806 -10.155 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.677 -4.522 -7.490 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.344 -2.145 -11.053 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.309 -5.190 -7.709 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.962 -2.797 -11.254 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.055 -4.326 -9.589 1.00 0.00 H new ATOM 111 N CYS A 7 5.300 -4.272 -5.946 1.00 0.00 N ATOM 112 CA CYS A 7 5.128 -3.948 -4.484 1.00 0.00 C ATOM 113 C CYS A 7 6.464 -3.456 -3.908 1.00 0.00 C ATOM 114 O CYS A 7 6.492 -2.653 -2.991 1.00 0.00 O ATOM 115 CB CYS A 7 4.683 -5.214 -3.744 1.00 0.00 C ATOM 116 SG CYS A 7 3.081 -5.763 -4.391 1.00 0.00 S ATOM 0 H CYS A 7 4.970 -5.198 -6.217 1.00 0.00 H new ATOM 0 HA CYS A 7 4.377 -3.167 -4.363 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.427 -6.001 -3.869 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.606 -5.015 -2.675 1.00 0.00 H new ATOM 121 N ASN A 8 7.563 -3.924 -4.468 1.00 0.00 N ATOM 122 CA ASN A 8 8.918 -3.488 -4.003 1.00 0.00 C ATOM 123 C ASN A 8 9.458 -2.455 -5.005 1.00 0.00 C ATOM 124 O ASN A 8 10.651 -2.372 -5.260 1.00 0.00 O ATOM 125 CB ASN A 8 9.851 -4.706 -3.946 1.00 0.00 C ATOM 126 CG ASN A 8 9.327 -5.705 -2.914 1.00 0.00 C ATOM 127 OD1 ASN A 8 9.755 -5.703 -1.778 1.00 0.00 O ATOM 128 ND2 ASN A 8 8.411 -6.566 -3.266 1.00 0.00 N ATOM 0 H ASN A 8 7.573 -4.596 -5.235 1.00 0.00 H new ATOM 0 HA ASN A 8 8.860 -3.045 -3.009 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.910 -5.178 -4.927 1.00 0.00 H new ATOM 0 HB3 ASN A 8 10.861 -4.391 -3.683 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.054 -7.238 -2.586 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.052 -6.567 -4.221 1.00 0.00 H new ATOM 135 N LEU A 9 8.563 -1.680 -5.584 1.00 0.00 N ATOM 136 CA LEU A 9 8.953 -0.649 -6.593 1.00 0.00 C ATOM 137 C LEU A 9 8.581 0.744 -6.083 1.00 0.00 C ATOM 138 O LEU A 9 7.642 0.899 -5.320 1.00 0.00 O ATOM 139 CB LEU A 9 8.193 -0.927 -7.893 1.00 0.00 C ATOM 140 CG LEU A 9 8.943 -0.319 -9.075 1.00 0.00 C ATOM 141 CD1 LEU A 9 10.263 -1.063 -9.278 1.00 0.00 C ATOM 142 CD2 LEU A 9 8.085 -0.452 -10.337 1.00 0.00 C ATOM 0 H LEU A 9 7.562 -1.724 -5.392 1.00 0.00 H new ATOM 0 HA LEU A 9 10.029 -0.691 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.081 -2.002 -8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.189 -0.507 -7.834 1.00 0.00 H new ATOM 0 HG LEU A 9 9.147 0.733 -8.878 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.799 -0.629 -10.122 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.872 -0.976 -8.378 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.061 -2.115 -9.479 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.616 -0.019 -11.185 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.886 -1.506 -10.533 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.141 0.074 -10.193 1.00 0.00 H new ATOM 154 N LEU A 10 9.310 1.751 -6.515 1.00 0.00 N ATOM 155 CA LEU A 10 9.021 3.156 -6.086 1.00 0.00 C ATOM 156 C LEU A 10 8.277 3.883 -7.226 1.00 0.00 C ATOM 157 O LEU A 10 8.876 4.132 -8.258 1.00 0.00 O ATOM 158 CB LEU A 10 10.340 3.883 -5.805 1.00 0.00 C ATOM 159 CG LEU A 10 11.029 3.245 -4.599 1.00 0.00 C ATOM 160 CD1 LEU A 10 12.543 3.427 -4.716 1.00 0.00 C ATOM 161 CD2 LEU A 10 10.532 3.916 -3.317 1.00 0.00 C ATOM 0 H LEU A 10 10.100 1.655 -7.153 1.00 0.00 H new ATOM 0 HA LEU A 10 8.409 3.148 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.990 3.830 -6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.151 4.939 -5.612 1.00 0.00 H new ATOM 0 HG LEU A 10 10.795 2.181 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 10 13.032 2.971 -3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 10 12.897 2.949 -5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 10 12.780 4.490 -4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 10 11.022 3.463 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.766 4.980 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.453 3.784 -3.232 1.00 0.00 H new ATOM 173 N PRO A 11 6.995 4.201 -7.031 1.00 0.00 N ATOM 174 CA PRO A 11 6.196 4.888 -8.068 1.00 0.00 C ATOM 175 C PRO A 11 6.534 6.381 -8.117 1.00 0.00 C ATOM 176 O PRO A 11 7.502 6.823 -7.520 1.00 0.00 O ATOM 177 CB PRO A 11 4.748 4.671 -7.622 1.00 0.00 C ATOM 178 CG PRO A 11 4.798 4.389 -6.105 1.00 0.00 C ATOM 179 CD PRO A 11 6.229 3.916 -5.790 1.00 0.00 C ATOM 0 HA PRO A 11 6.389 4.504 -9.070 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.140 5.551 -7.834 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.297 3.836 -8.158 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.553 5.286 -5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.069 3.627 -5.829 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.645 4.450 -4.935 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.251 2.854 -5.544 1.00 0.00 H new ATOM 187 N GLU A 12 5.734 7.147 -8.830 1.00 0.00 N ATOM 188 CA GLU A 12 5.973 8.619 -8.949 1.00 0.00 C ATOM 189 C GLU A 12 4.632 9.341 -9.092 1.00 0.00 C ATOM 190 O GLU A 12 3.756 8.894 -9.816 1.00 0.00 O ATOM 191 CB GLU A 12 6.832 8.895 -10.187 1.00 0.00 C ATOM 192 CG GLU A 12 8.311 8.910 -9.793 1.00 0.00 C ATOM 193 CD GLU A 12 8.663 10.262 -9.168 1.00 0.00 C ATOM 194 OE1 GLU A 12 8.757 11.227 -9.908 1.00 0.00 O ATOM 195 OE2 GLU A 12 8.836 10.307 -7.961 1.00 0.00 O ATOM 0 H GLU A 12 4.918 6.807 -9.338 1.00 0.00 H new ATOM 0 HA GLU A 12 6.488 8.978 -8.058 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.654 8.130 -10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.553 9.851 -10.629 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.517 8.107 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.933 8.731 -10.670 1.00 0.00 H new ATOM 202 N THR A 13 4.475 10.453 -8.405 1.00 0.00 N ATOM 203 CA THR A 13 3.200 11.236 -8.478 1.00 0.00 C ATOM 204 C THR A 13 3.175 12.043 -9.777 1.00 0.00 C ATOM 205 O THR A 13 2.141 12.174 -10.412 1.00 0.00 O ATOM 206 CB THR A 13 3.101 12.188 -7.278 1.00 0.00 C ATOM 207 OG1 THR A 13 4.399 12.639 -6.904 1.00 0.00 O ATOM 208 CG2 THR A 13 2.455 11.455 -6.102 1.00 0.00 C ATOM 0 H THR A 13 5.185 10.853 -7.791 1.00 0.00 H new ATOM 0 HA THR A 13 2.354 10.549 -8.457 1.00 0.00 H new ATOM 0 HB THR A 13 2.492 13.049 -7.553 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.326 13.247 -6.139 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.383 12.129 -5.248 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.457 11.121 -6.385 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.064 10.592 -5.833 1.00 0.00 H new ATOM 216 N GLY A 14 4.313 12.573 -10.173 1.00 0.00 N ATOM 217 CA GLY A 14 4.398 13.372 -11.437 1.00 0.00 C ATOM 218 C GLY A 14 4.312 14.865 -11.120 1.00 0.00 C ATOM 219 O GLY A 14 3.724 15.627 -11.869 1.00 0.00 O ATOM 0 H GLY A 14 5.194 12.483 -9.667 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.334 13.155 -11.952 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.590 13.088 -12.111 1.00 0.00 H new ATOM 223 N ARG A 15 4.904 15.276 -10.022 1.00 0.00 N ATOM 224 CA ARG A 15 4.887 16.721 -9.624 1.00 0.00 C ATOM 225 C ARG A 15 3.436 17.194 -9.447 1.00 0.00 C ATOM 226 O ARG A 15 3.121 18.359 -9.655 1.00 0.00 O ATOM 227 CB ARG A 15 5.584 17.549 -10.711 1.00 0.00 C ATOM 228 CG ARG A 15 6.090 18.862 -10.109 1.00 0.00 C ATOM 229 CD ARG A 15 7.062 19.529 -11.083 1.00 0.00 C ATOM 230 NE ARG A 15 8.438 19.015 -10.840 1.00 0.00 N ATOM 231 CZ ARG A 15 9.228 18.762 -11.848 1.00 0.00 C ATOM 232 NH1 ARG A 15 8.855 17.921 -12.772 1.00 0.00 N ATOM 233 NH2 ARG A 15 10.391 19.347 -11.927 1.00 0.00 N ATOM 0 H ARG A 15 5.404 14.664 -9.377 1.00 0.00 H new ATOM 0 HA ARG A 15 5.414 16.849 -8.678 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.416 16.986 -11.134 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.891 17.754 -11.527 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.251 19.527 -9.903 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.586 18.671 -9.157 1.00 0.00 H new ATOM 0 HD2 ARG A 15 6.762 19.324 -12.111 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.038 20.611 -10.954 1.00 0.00 H new ATOM 0 HE ARG A 15 8.763 18.861 -9.886 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.947 17.462 -12.707 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.472 17.723 -13.560 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.683 20.002 -11.201 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.009 19.150 -12.714 1.00 0.00 H new ATOM 247 N CYS A 16 2.559 16.295 -9.051 1.00 0.00 N ATOM 248 CA CYS A 16 1.124 16.654 -8.839 1.00 0.00 C ATOM 249 C CYS A 16 0.606 15.921 -7.605 1.00 0.00 C ATOM 250 O CYS A 16 0.735 14.713 -7.490 1.00 0.00 O ATOM 251 CB CYS A 16 0.297 16.241 -10.057 1.00 0.00 C ATOM 252 SG CYS A 16 1.091 16.844 -11.567 1.00 0.00 S ATOM 0 H CYS A 16 2.784 15.318 -8.865 1.00 0.00 H new ATOM 0 HA CYS A 16 1.037 17.731 -8.698 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.202 15.156 -10.093 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.712 16.647 -9.978 1.00 0.00 H new ATOM 257 N ASN A 17 0.029 16.659 -6.687 1.00 0.00 N ATOM 258 CA ASN A 17 -0.511 16.051 -5.430 1.00 0.00 C ATOM 259 C ASN A 17 -1.779 16.792 -4.996 1.00 0.00 C ATOM 260 O ASN A 17 -1.920 17.982 -5.228 1.00 0.00 O ATOM 261 CB ASN A 17 0.537 16.160 -4.320 1.00 0.00 C ATOM 262 CG ASN A 17 1.750 15.294 -4.663 1.00 0.00 C ATOM 263 OD1 ASN A 17 2.454 15.563 -5.617 1.00 0.00 O ATOM 264 ND2 ASN A 17 2.028 14.260 -3.918 1.00 0.00 N ATOM 0 H ASN A 17 -0.092 17.669 -6.757 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.748 15.003 -5.614 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.844 17.199 -4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.108 15.841 -3.370 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.836 13.677 -4.136 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.437 14.034 -3.118 1.00 0.00 H new ATOM 271 N ALA A 18 -2.690 16.086 -4.359 1.00 0.00 N ATOM 272 CA ALA A 18 -3.963 16.710 -3.880 1.00 0.00 C ATOM 273 C ALA A 18 -4.662 15.750 -2.909 1.00 0.00 C ATOM 274 O ALA A 18 -4.549 15.896 -1.703 1.00 0.00 O ATOM 275 CB ALA A 18 -4.875 17.005 -5.077 1.00 0.00 C ATOM 0 H ALA A 18 -2.600 15.092 -4.150 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.743 17.646 -3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.801 17.459 -4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.371 17.690 -5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.102 16.076 -5.599 1.00 0.00 H new ATOM 281 N LEU A 19 -5.370 14.766 -3.433 1.00 0.00 N ATOM 282 CA LEU A 19 -6.082 13.772 -2.568 1.00 0.00 C ATOM 283 C LEU A 19 -6.842 12.784 -3.455 1.00 0.00 C ATOM 284 O LEU A 19 -7.809 13.150 -4.101 1.00 0.00 O ATOM 285 CB LEU A 19 -7.082 14.494 -1.664 1.00 0.00 C ATOM 286 CG LEU A 19 -7.282 13.689 -0.380 1.00 0.00 C ATOM 287 CD1 LEU A 19 -7.683 14.631 0.755 1.00 0.00 C ATOM 288 CD2 LEU A 19 -8.386 12.651 -0.603 1.00 0.00 C ATOM 0 H LEU A 19 -5.482 14.613 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.352 13.242 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.718 15.493 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.034 14.616 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.354 13.182 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.826 14.057 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.897 15.371 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.613 15.138 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.533 12.074 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.315 13.158 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.097 11.981 -1.413 1.00 0.00 H new ATOM 300 N ILE A 20 -6.417 11.536 -3.475 1.00 0.00 N ATOM 301 CA ILE A 20 -7.093 10.491 -4.292 1.00 0.00 C ATOM 302 C ILE A 20 -6.736 9.155 -3.632 1.00 0.00 C ATOM 303 O ILE A 20 -5.608 8.997 -3.189 1.00 0.00 O ATOM 304 CB ILE A 20 -6.592 10.555 -5.758 1.00 0.00 C ATOM 305 CG1 ILE A 20 -7.224 11.770 -6.453 1.00 0.00 C ATOM 306 CG2 ILE A 20 -6.982 9.288 -6.541 1.00 0.00 C ATOM 307 CD1 ILE A 20 -6.275 12.970 -6.375 1.00 0.00 C ATOM 0 H ILE A 20 -5.613 11.201 -2.945 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.174 10.629 -4.328 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.505 10.635 -5.741 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.438 11.533 -7.495 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.175 12.016 -5.980 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.616 9.366 -7.565 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.540 8.414 -6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.067 9.186 -6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.731 13.827 -6.870 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.083 13.214 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.335 12.723 -6.869 1.00 0.00 H new ATOM 319 N PRO A 21 -7.682 8.236 -3.551 1.00 0.00 N ATOM 320 CA PRO A 21 -7.431 6.945 -2.907 1.00 0.00 C ATOM 321 C PRO A 21 -6.476 6.104 -3.760 1.00 0.00 C ATOM 322 O PRO A 21 -6.864 5.105 -4.349 1.00 0.00 O ATOM 323 CB PRO A 21 -8.826 6.318 -2.768 1.00 0.00 C ATOM 324 CG PRO A 21 -9.717 7.015 -3.817 1.00 0.00 C ATOM 325 CD PRO A 21 -9.059 8.377 -4.099 1.00 0.00 C ATOM 0 HA PRO A 21 -6.942 7.026 -1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.789 5.243 -2.942 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.221 6.465 -1.763 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.786 6.420 -4.727 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -10.733 7.143 -3.442 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.042 8.598 -5.166 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.600 9.189 -3.613 1.00 0.00 H new ATOM 333 N ALA A 22 -5.207 6.485 -3.786 1.00 0.00 N ATOM 334 CA ALA A 22 -4.201 5.698 -4.545 1.00 0.00 C ATOM 335 C ALA A 22 -3.562 4.786 -3.526 1.00 0.00 C ATOM 336 O ALA A 22 -3.172 5.230 -2.470 1.00 0.00 O ATOM 337 CB ALA A 22 -3.160 6.613 -5.176 1.00 0.00 C ATOM 0 H ALA A 22 -4.840 7.309 -3.310 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.657 5.140 -5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.435 6.014 -5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.651 7.306 -5.859 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.648 7.175 -4.395 1.00 0.00 H new ATOM 343 N PHE A 23 -3.544 3.512 -3.797 1.00 0.00 N ATOM 344 CA PHE A 23 -3.019 2.530 -2.797 1.00 0.00 C ATOM 345 C PHE A 23 -2.086 1.517 -3.453 1.00 0.00 C ATOM 346 O PHE A 23 -2.346 1.055 -4.543 1.00 0.00 O ATOM 347 CB PHE A 23 -4.202 1.737 -2.229 1.00 0.00 C ATOM 348 CG PHE A 23 -5.017 2.527 -1.215 1.00 0.00 C ATOM 349 CD1 PHE A 23 -5.685 3.719 -1.572 1.00 0.00 C ATOM 350 CD2 PHE A 23 -5.138 2.031 0.090 1.00 0.00 C ATOM 351 CE1 PHE A 23 -6.462 4.400 -0.626 1.00 0.00 C ATOM 352 CE2 PHE A 23 -5.914 2.717 1.035 1.00 0.00 C ATOM 353 CZ PHE A 23 -6.578 3.899 0.676 1.00 0.00 C ATOM 0 H PHE A 23 -3.871 3.102 -4.672 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.480 3.084 -2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.852 1.429 -3.048 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.830 0.827 -1.758 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.597 4.106 -2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.632 1.118 0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.972 5.312 -0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.001 2.334 2.041 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.179 4.423 1.404 1.00 0.00 H new ATOM 363 N TYR A 24 -1.043 1.123 -2.753 1.00 0.00 N ATOM 364 CA TYR A 24 -0.115 0.066 -3.275 1.00 0.00 C ATOM 365 C TYR A 24 0.527 -0.667 -2.095 1.00 0.00 C ATOM 366 O TYR A 24 0.274 -0.342 -0.946 1.00 0.00 O ATOM 367 CB TYR A 24 0.938 0.644 -4.230 1.00 0.00 C ATOM 368 CG TYR A 24 1.863 1.588 -3.520 1.00 0.00 C ATOM 369 CD1 TYR A 24 2.848 1.095 -2.660 1.00 0.00 C ATOM 370 CD2 TYR A 24 1.742 2.957 -3.745 1.00 0.00 C ATOM 371 CE1 TYR A 24 3.717 1.975 -2.017 1.00 0.00 C ATOM 372 CE2 TYR A 24 2.613 3.846 -3.103 1.00 0.00 C ATOM 373 CZ TYR A 24 3.603 3.355 -2.238 1.00 0.00 C ATOM 374 OH TYR A 24 4.459 4.230 -1.602 1.00 0.00 O ATOM 0 H TYR A 24 -0.795 1.493 -1.835 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.692 -0.647 -3.863 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.515 -0.168 -4.673 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.442 1.166 -5.048 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.936 0.032 -2.493 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.980 3.332 -4.412 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.477 1.595 -1.350 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.523 4.909 -3.273 1.00 0.00 H new ATOM 0 HH TYR A 24 4.244 5.149 -1.867 1.00 0.00 H new ATOM 384 N TYR A 25 1.321 -1.678 -2.373 1.00 0.00 N ATOM 385 CA TYR A 25 1.946 -2.485 -1.276 1.00 0.00 C ATOM 386 C TYR A 25 3.348 -1.989 -0.941 1.00 0.00 C ATOM 387 O TYR A 25 4.151 -1.695 -1.812 1.00 0.00 O ATOM 388 CB TYR A 25 2.033 -3.939 -1.718 1.00 0.00 C ATOM 389 CG TYR A 25 2.164 -4.836 -0.513 1.00 0.00 C ATOM 390 CD1 TYR A 25 3.414 -5.031 0.087 1.00 0.00 C ATOM 391 CD2 TYR A 25 1.032 -5.480 0.002 1.00 0.00 C ATOM 392 CE1 TYR A 25 3.533 -5.870 1.201 1.00 0.00 C ATOM 393 CE2 TYR A 25 1.151 -6.317 1.117 1.00 0.00 C ATOM 394 CZ TYR A 25 2.401 -6.514 1.716 1.00 0.00 C ATOM 395 OH TYR A 25 2.519 -7.347 2.811 1.00 0.00 O ATOM 0 H TYR A 25 1.563 -1.979 -3.317 1.00 0.00 H new ATOM 0 HA TYR A 25 1.325 -2.384 -0.386 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.144 -4.209 -2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.889 -4.076 -2.379 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.287 -4.534 -0.310 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.068 -5.331 -0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.497 -6.021 1.663 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.278 -6.812 1.516 1.00 0.00 H new ATOM 0 HH TYR A 25 1.744 -7.226 3.399 1.00 0.00 H new ATOM 405 N ASN A 26 3.630 -1.927 0.336 1.00 0.00 N ATOM 406 CA ASN A 26 4.969 -1.482 0.831 1.00 0.00 C ATOM 407 C ASN A 26 5.635 -2.644 1.578 1.00 0.00 C ATOM 408 O ASN A 26 5.025 -3.271 2.434 1.00 0.00 O ATOM 409 CB ASN A 26 4.796 -0.293 1.780 1.00 0.00 C ATOM 410 CG ASN A 26 6.167 0.299 2.115 1.00 0.00 C ATOM 411 OD1 ASN A 26 7.001 0.463 1.246 1.00 0.00 O ATOM 412 ND2 ASN A 26 6.437 0.626 3.348 1.00 0.00 N ATOM 0 H ASN A 26 2.971 -2.173 1.075 1.00 0.00 H new ATOM 0 HA ASN A 26 5.592 -1.180 -0.011 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.164 0.465 1.318 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.294 -0.613 2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.348 1.019 3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.737 0.488 4.077 1.00 0.00 H new ATOM 419 N SER A 27 6.876 -2.934 1.240 1.00 0.00 N ATOM 420 CA SER A 27 7.620 -4.060 1.895 1.00 0.00 C ATOM 421 C SER A 27 7.913 -3.727 3.360 1.00 0.00 C ATOM 422 O SER A 27 7.728 -4.559 4.233 1.00 0.00 O ATOM 423 CB SER A 27 8.940 -4.289 1.156 1.00 0.00 C ATOM 424 OG SER A 27 9.383 -5.621 1.387 1.00 0.00 O ATOM 0 H SER A 27 7.408 -2.431 0.530 1.00 0.00 H new ATOM 0 HA SER A 27 7.006 -4.960 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.806 -4.118 0.088 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.691 -3.579 1.501 1.00 0.00 H new ATOM 0 HG SER A 27 9.621 -6.039 0.533 1.00 0.00 H new ATOM 430 N HIS A 28 8.372 -2.520 3.630 1.00 0.00 N ATOM 431 CA HIS A 28 8.694 -2.109 5.038 1.00 0.00 C ATOM 432 C HIS A 28 7.452 -2.268 5.919 1.00 0.00 C ATOM 433 O HIS A 28 7.535 -2.766 7.031 1.00 0.00 O ATOM 434 CB HIS A 28 9.140 -0.646 5.055 1.00 0.00 C ATOM 435 CG HIS A 28 10.012 -0.398 6.257 1.00 0.00 C ATOM 436 ND1 HIS A 28 9.833 -1.073 7.456 1.00 0.00 N ATOM 437 CD2 HIS A 28 11.076 0.446 6.458 1.00 0.00 C ATOM 438 CE1 HIS A 28 10.767 -0.628 8.315 1.00 0.00 C ATOM 439 NE2 HIS A 28 11.551 0.299 7.758 1.00 0.00 N ATOM 0 H HIS A 28 8.537 -1.799 2.928 1.00 0.00 H new ATOM 0 HA HIS A 28 9.495 -2.741 5.421 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.687 -0.411 4.142 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.270 0.010 5.083 1.00 0.00 H new ATOM 0 HD1 HIS A 28 9.122 -1.778 7.650 1.00 0.00 H new ATOM 0 HD2 HIS A 28 11.483 1.121 5.720 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.871 -0.978 9.332 1.00 0.00 H new ATOM 447 N LEU A 29 6.312 -1.845 5.424 1.00 0.00 N ATOM 448 CA LEU A 29 5.043 -1.953 6.207 1.00 0.00 C ATOM 449 C LEU A 29 4.508 -3.384 6.133 1.00 0.00 C ATOM 450 O LEU A 29 3.784 -3.824 7.012 1.00 0.00 O ATOM 451 CB LEU A 29 4.009 -0.983 5.623 1.00 0.00 C ATOM 452 CG LEU A 29 2.747 -0.980 6.488 1.00 0.00 C ATOM 453 CD1 LEU A 29 2.900 0.046 7.614 1.00 0.00 C ATOM 454 CD2 LEU A 29 1.539 -0.608 5.621 1.00 0.00 C ATOM 0 H LEU A 29 6.208 -1.425 4.500 1.00 0.00 H new ATOM 0 HA LEU A 29 5.235 -1.701 7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.428 0.022 5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.760 -1.275 4.603 1.00 0.00 H new ATOM 0 HG LEU A 29 2.598 -1.970 6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.001 0.047 8.230 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.761 -0.215 8.230 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.048 1.037 7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.638 -0.605 6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.690 0.383 5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.429 -1.337 4.818 1.00 0.00 H new ATOM 466 N HIS A 30 4.858 -4.110 5.090 1.00 0.00 N ATOM 467 CA HIS A 30 4.378 -5.521 4.931 1.00 0.00 C ATOM 468 C HIS A 30 2.849 -5.488 4.781 1.00 0.00 C ATOM 469 O HIS A 30 2.145 -6.400 5.192 1.00 0.00 O ATOM 470 CB HIS A 30 4.772 -6.335 6.176 1.00 0.00 C ATOM 471 CG HIS A 30 5.902 -7.258 5.830 1.00 0.00 C ATOM 472 ND1 HIS A 30 5.714 -8.594 5.513 1.00 0.00 N ATOM 473 CD2 HIS A 30 7.251 -7.034 5.739 1.00 0.00 C ATOM 474 CE1 HIS A 30 6.926 -9.120 5.248 1.00 0.00 C ATOM 475 NE2 HIS A 30 7.898 -8.210 5.371 1.00 0.00 N ATOM 0 H HIS A 30 5.461 -3.779 4.337 1.00 0.00 H new ATOM 0 HA HIS A 30 4.827 -5.987 4.054 1.00 0.00 H new ATOM 0 HB2 HIS A 30 5.069 -5.665 6.983 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.917 -6.908 6.535 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.738 -6.088 5.925 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.092 -10.150 4.970 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.898 -8.348 5.226 1.00 0.00 H new ATOM 483 N LYS A 31 2.344 -4.425 4.189 1.00 0.00 N ATOM 484 CA LYS A 31 0.869 -4.261 3.985 1.00 0.00 C ATOM 485 C LYS A 31 0.646 -3.253 2.858 1.00 0.00 C ATOM 486 O LYS A 31 1.561 -2.930 2.115 1.00 0.00 O ATOM 487 CB LYS A 31 0.227 -3.740 5.284 1.00 0.00 C ATOM 488 CG LYS A 31 -0.747 -4.782 5.846 1.00 0.00 C ATOM 489 CD LYS A 31 -0.741 -4.709 7.374 1.00 0.00 C ATOM 490 CE LYS A 31 -2.100 -5.153 7.917 1.00 0.00 C ATOM 491 NZ LYS A 31 -2.304 -6.600 7.622 1.00 0.00 N ATOM 0 H LYS A 31 2.906 -3.652 3.833 1.00 0.00 H new ATOM 0 HA LYS A 31 0.415 -5.217 3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.002 -3.521 6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.300 -2.806 5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.752 -4.599 5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.459 -5.780 5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.047 -5.346 7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.524 -3.691 7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.148 -4.980 8.992 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.896 -4.563 7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.161 -6.935 8.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.411 -6.733 6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.482 -7.142 7.958 1.00 0.00 H new ATOM 505 N CYS A 32 -0.558 -2.754 2.741 1.00 0.00 N ATOM 506 CA CYS A 32 -0.871 -1.751 1.677 1.00 0.00 C ATOM 507 C CYS A 32 -0.750 -0.354 2.269 1.00 0.00 C ATOM 508 O CYS A 32 -0.872 -0.167 3.468 1.00 0.00 O ATOM 509 CB CYS A 32 -2.299 -1.939 1.165 1.00 0.00 C ATOM 510 SG CYS A 32 -2.496 -1.036 -0.389 1.00 0.00 S ATOM 0 H CYS A 32 -1.345 -3.000 3.342 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.174 -1.885 0.850 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.507 -2.998 1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.014 -1.576 1.904 1.00 0.00 H new ATOM 515 N GLN A 33 -0.528 0.623 1.424 1.00 0.00 N ATOM 516 CA GLN A 33 -0.411 2.029 1.890 1.00 0.00 C ATOM 517 C GLN A 33 -1.086 2.918 0.865 1.00 0.00 C ATOM 518 O GLN A 33 -1.041 2.639 -0.323 1.00 0.00 O ATOM 519 CB GLN A 33 1.059 2.428 2.027 1.00 0.00 C ATOM 520 CG GLN A 33 1.138 3.826 2.643 1.00 0.00 C ATOM 521 CD GLN A 33 2.594 4.186 2.939 1.00 0.00 C ATOM 522 OE1 GLN A 33 3.320 4.605 2.059 1.00 0.00 O ATOM 523 NE2 GLN A 33 3.056 4.045 4.153 1.00 0.00 N ATOM 0 H GLN A 33 -0.422 0.498 0.417 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.885 2.136 2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.588 1.710 2.654 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.545 2.418 1.051 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.705 4.558 1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.552 3.861 3.562 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.448 3.693 4.893 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.025 4.286 4.361 1.00 0.00 H new ATOM 532 N LYS A 34 -1.713 3.974 1.315 1.00 0.00 N ATOM 533 CA LYS A 34 -2.407 4.890 0.376 1.00 0.00 C ATOM 534 C LYS A 34 -1.503 6.085 0.079 1.00 0.00 C ATOM 535 O LYS A 34 -0.971 6.697 0.991 1.00 0.00 O ATOM 536 CB LYS A 34 -3.726 5.365 1.008 1.00 0.00 C ATOM 537 CG LYS A 34 -3.456 6.261 2.226 1.00 0.00 C ATOM 538 CD LYS A 34 -4.711 6.326 3.099 1.00 0.00 C ATOM 539 CE LYS A 34 -4.799 7.697 3.771 1.00 0.00 C ATOM 540 NZ LYS A 34 -5.316 8.696 2.793 1.00 0.00 N ATOM 0 H LYS A 34 -1.772 4.238 2.298 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.628 4.370 -0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.311 5.914 0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.321 4.503 1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.619 5.867 2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.175 7.262 1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.598 6.150 2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.682 5.541 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.457 7.647 4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.817 8.001 4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.980 9.645 3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.973 8.459 1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.356 8.683 2.800 1.00 0.00 H new ATOM 554 N PHE A 35 -1.349 6.429 -1.179 1.00 0.00 N ATOM 555 CA PHE A 35 -0.506 7.594 -1.546 1.00 0.00 C ATOM 556 C PHE A 35 -1.382 8.630 -2.261 1.00 0.00 C ATOM 557 O PHE A 35 -2.495 8.329 -2.694 1.00 0.00 O ATOM 558 CB PHE A 35 0.691 7.134 -2.399 1.00 0.00 C ATOM 559 CG PHE A 35 0.278 6.734 -3.798 1.00 0.00 C ATOM 560 CD1 PHE A 35 -0.206 5.445 -4.045 1.00 0.00 C ATOM 561 CD2 PHE A 35 0.411 7.646 -4.852 1.00 0.00 C ATOM 562 CE1 PHE A 35 -0.556 5.067 -5.346 1.00 0.00 C ATOM 563 CE2 PHE A 35 0.056 7.270 -6.152 1.00 0.00 C ATOM 564 CZ PHE A 35 -0.426 5.979 -6.400 1.00 0.00 C ATOM 0 H PHE A 35 -1.778 5.944 -1.967 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.089 8.064 -0.656 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.425 7.938 -2.455 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.179 6.290 -1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.310 4.742 -3.232 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.788 8.640 -4.661 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.927 4.071 -5.537 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.154 7.975 -6.964 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.697 5.687 -7.404 1.00 0.00 H new ATOM 574 N ASN A 36 -0.901 9.849 -2.340 1.00 0.00 N ATOM 575 CA ASN A 36 -1.689 10.954 -2.966 1.00 0.00 C ATOM 576 C ASN A 36 -1.303 11.118 -4.434 1.00 0.00 C ATOM 577 O ASN A 36 -0.134 11.127 -4.782 1.00 0.00 O ATOM 578 CB ASN A 36 -1.392 12.251 -2.215 1.00 0.00 C ATOM 579 CG ASN A 36 -2.624 13.154 -2.232 1.00 0.00 C ATOM 580 OD1 ASN A 36 -3.184 13.415 -3.276 1.00 0.00 O ATOM 581 ND2 ASN A 36 -3.071 13.647 -1.108 1.00 0.00 N ATOM 0 H ASN A 36 0.017 10.126 -1.992 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.752 10.717 -2.910 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.107 12.029 -1.187 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.548 12.764 -2.676 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.892 14.252 -1.107 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.599 13.427 -0.231 1.00 0.00 H new ATOM 588 N TYR A 37 -2.296 11.253 -5.289 1.00 0.00 N ATOM 589 CA TYR A 37 -2.044 11.427 -6.751 1.00 0.00 C ATOM 590 C TYR A 37 -2.672 12.743 -7.215 1.00 0.00 C ATOM 591 O TYR A 37 -3.533 13.293 -6.546 1.00 0.00 O ATOM 592 CB TYR A 37 -2.670 10.258 -7.516 1.00 0.00 C ATOM 593 CG TYR A 37 -2.219 10.290 -8.960 1.00 0.00 C ATOM 594 CD1 TYR A 37 -0.860 10.432 -9.273 1.00 0.00 C ATOM 595 CD2 TYR A 37 -3.165 10.183 -9.985 1.00 0.00 C ATOM 596 CE1 TYR A 37 -0.451 10.468 -10.610 1.00 0.00 C ATOM 597 CE2 TYR A 37 -2.754 10.218 -11.321 1.00 0.00 C ATOM 598 CZ TYR A 37 -1.399 10.362 -11.634 1.00 0.00 C ATOM 599 OH TYR A 37 -0.996 10.398 -12.953 1.00 0.00 O ATOM 0 H TYR A 37 -3.282 11.249 -5.026 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.971 11.449 -6.942 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.380 9.313 -7.056 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.757 10.318 -7.464 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.129 10.514 -8.482 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.212 10.073 -9.745 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.596 10.578 -10.852 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.484 10.134 -12.112 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.778 10.311 -13.537 1.00 0.00 H new ATOM 609 N GLY A 38 -2.235 13.251 -8.350 1.00 0.00 N ATOM 610 CA GLY A 38 -2.783 14.539 -8.882 1.00 0.00 C ATOM 611 C GLY A 38 -3.455 14.304 -10.237 1.00 0.00 C ATOM 612 O GLY A 38 -4.535 14.813 -10.494 1.00 0.00 O ATOM 0 H GLY A 38 -1.516 12.821 -8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.503 14.956 -8.178 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.980 15.269 -8.987 1.00 0.00 H new ATOM 616 N GLY A 39 -2.814 13.545 -11.100 1.00 0.00 N ATOM 617 CA GLY A 39 -3.383 13.266 -12.456 1.00 0.00 C ATOM 618 C GLY A 39 -2.401 13.760 -13.518 1.00 0.00 C ATOM 619 O GLY A 39 -2.764 14.528 -14.395 1.00 0.00 O ATOM 0 H GLY A 39 -1.912 13.104 -10.918 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.562 12.198 -12.577 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.345 13.766 -12.571 1.00 0.00 H new ATOM 623 N CYS A 40 -1.162 13.327 -13.429 1.00 0.00 N ATOM 624 CA CYS A 40 -0.121 13.761 -14.411 1.00 0.00 C ATOM 625 C CYS A 40 0.636 12.544 -14.941 1.00 0.00 C ATOM 626 O CYS A 40 0.663 12.300 -16.136 1.00 0.00 O ATOM 627 CB CYS A 40 0.852 14.715 -13.718 1.00 0.00 C ATOM 628 SG CYS A 40 -0.067 16.133 -13.063 1.00 0.00 S ATOM 0 H CYS A 40 -0.828 12.685 -12.710 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.599 14.269 -15.249 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.372 14.200 -12.911 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.612 15.053 -14.422 1.00 0.00 H new ATOM 633 N GLY A 41 1.250 11.788 -14.055 1.00 0.00 N ATOM 634 CA GLY A 41 2.020 10.576 -14.482 1.00 0.00 C ATOM 635 C GLY A 41 2.389 9.736 -13.260 1.00 0.00 C ATOM 636 O GLY A 41 2.377 10.221 -12.140 1.00 0.00 O ATOM 0 H GLY A 41 1.249 11.962 -13.050 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.425 9.982 -15.176 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.923 10.877 -15.013 1.00 0.00 H new ATOM 640 N GLY A 42 2.718 8.479 -13.479 1.00 0.00 N ATOM 641 CA GLY A 42 3.098 7.568 -12.352 1.00 0.00 C ATOM 642 C GLY A 42 3.428 6.177 -12.905 1.00 0.00 C ATOM 643 O GLY A 42 2.999 5.818 -13.989 1.00 0.00 O ATOM 0 H GLY A 42 2.738 8.045 -14.402 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.958 7.972 -11.819 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.281 7.501 -11.634 1.00 0.00 H new ATOM 647 N ASN A 43 4.187 5.402 -12.157 1.00 0.00 N ATOM 648 CA ASN A 43 4.567 4.021 -12.602 1.00 0.00 C ATOM 649 C ASN A 43 3.352 3.091 -12.475 1.00 0.00 C ATOM 650 O ASN A 43 2.241 3.550 -12.270 1.00 0.00 O ATOM 651 CB ASN A 43 5.720 3.516 -11.727 1.00 0.00 C ATOM 652 CG ASN A 43 7.042 4.094 -12.248 1.00 0.00 C ATOM 653 OD1 ASN A 43 7.307 4.052 -13.432 1.00 0.00 O ATOM 654 ND2 ASN A 43 7.887 4.631 -11.410 1.00 0.00 N ATOM 0 H ASN A 43 4.562 5.673 -11.248 1.00 0.00 H new ATOM 0 HA ASN A 43 4.888 4.037 -13.644 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.563 3.814 -10.690 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.754 2.427 -11.744 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.769 5.015 -11.750 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.665 4.667 -10.415 1.00 0.00 H new ATOM 661 N ALA A 44 3.559 1.795 -12.614 1.00 0.00 N ATOM 662 CA ALA A 44 2.430 0.812 -12.523 1.00 0.00 C ATOM 663 C ALA A 44 1.943 0.683 -11.074 1.00 0.00 C ATOM 664 O ALA A 44 0.754 0.554 -10.830 1.00 0.00 O ATOM 665 CB ALA A 44 2.912 -0.554 -13.015 1.00 0.00 C ATOM 0 H ALA A 44 4.473 1.377 -12.788 1.00 0.00 H new ATOM 0 HA ALA A 44 1.605 1.166 -13.141 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.095 -1.273 -12.951 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.243 -0.472 -14.050 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.742 -0.892 -12.395 1.00 0.00 H new ATOM 671 N ASN A 45 2.853 0.705 -10.122 1.00 0.00 N ATOM 672 CA ASN A 45 2.466 0.572 -8.678 1.00 0.00 C ATOM 673 C ASN A 45 1.456 1.660 -8.285 1.00 0.00 C ATOM 674 O ASN A 45 1.828 2.784 -7.990 1.00 0.00 O ATOM 675 CB ASN A 45 3.724 0.690 -7.796 1.00 0.00 C ATOM 676 CG ASN A 45 3.812 -0.500 -6.830 1.00 0.00 C ATOM 677 OD1 ASN A 45 3.418 -1.601 -7.155 1.00 0.00 O ATOM 678 ND2 ASN A 45 4.314 -0.316 -5.641 1.00 0.00 N ATOM 0 H ASN A 45 3.854 0.810 -10.287 1.00 0.00 H new ATOM 0 HA ASN A 45 2.001 -0.403 -8.529 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.614 0.724 -8.424 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.695 1.623 -7.233 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.375 -1.096 -4.987 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.646 0.608 -5.365 1.00 0.00 H new ATOM 685 N ASN A 46 0.183 1.311 -8.258 1.00 0.00 N ATOM 686 CA ASN A 46 -0.889 2.285 -7.863 1.00 0.00 C ATOM 687 C ASN A 46 -2.262 1.623 -8.008 1.00 0.00 C ATOM 688 O ASN A 46 -2.613 1.146 -9.076 1.00 0.00 O ATOM 689 CB ASN A 46 -0.830 3.538 -8.747 1.00 0.00 C ATOM 690 CG ASN A 46 -0.991 3.151 -10.222 1.00 0.00 C ATOM 691 OD1 ASN A 46 -2.093 2.950 -10.694 1.00 0.00 O ATOM 692 ND2 ASN A 46 0.068 3.045 -10.974 1.00 0.00 N ATOM 0 H ASN A 46 -0.159 0.380 -8.497 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.729 2.579 -6.826 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.617 4.234 -8.458 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.120 4.052 -8.600 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.028 2.794 -11.958 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.993 3.214 -10.579 1.00 0.00 H new ATOM 699 N PHE A 47 -3.032 1.592 -6.940 1.00 0.00 N ATOM 700 CA PHE A 47 -4.393 0.960 -6.992 1.00 0.00 C ATOM 701 C PHE A 47 -5.463 1.982 -6.609 1.00 0.00 C ATOM 702 O PHE A 47 -5.192 3.167 -6.496 1.00 0.00 O ATOM 703 CB PHE A 47 -4.457 -0.218 -6.019 1.00 0.00 C ATOM 704 CG PHE A 47 -3.304 -1.159 -6.271 1.00 0.00 C ATOM 705 CD1 PHE A 47 -3.064 -1.650 -7.560 1.00 0.00 C ATOM 706 CD2 PHE A 47 -2.480 -1.544 -5.211 1.00 0.00 C ATOM 707 CE1 PHE A 47 -1.994 -2.523 -7.788 1.00 0.00 C ATOM 708 CE2 PHE A 47 -1.410 -2.416 -5.437 1.00 0.00 C ATOM 709 CZ PHE A 47 -1.166 -2.906 -6.726 1.00 0.00 C ATOM 0 H PHE A 47 -2.774 1.979 -6.032 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.574 0.608 -8.008 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.423 0.146 -4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.402 -0.748 -6.138 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.704 -1.355 -8.378 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.669 -1.168 -4.216 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.807 -2.901 -8.782 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.772 -2.711 -4.617 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.340 -3.579 -6.901 1.00 0.00 H new ATOM 719 N LYS A 48 -6.679 1.515 -6.411 1.00 0.00 N ATOM 720 CA LYS A 48 -7.809 2.417 -6.030 1.00 0.00 C ATOM 721 C LYS A 48 -8.046 2.328 -4.524 1.00 0.00 C ATOM 722 O LYS A 48 -8.482 3.282 -3.906 1.00 0.00 O ATOM 723 CB LYS A 48 -9.076 1.982 -6.766 1.00 0.00 C ATOM 724 CG LYS A 48 -9.044 2.523 -8.196 1.00 0.00 C ATOM 725 CD LYS A 48 -10.260 2.003 -8.964 1.00 0.00 C ATOM 726 CE LYS A 48 -11.450 2.940 -8.731 1.00 0.00 C ATOM 727 NZ LYS A 48 -11.406 4.082 -9.697 1.00 0.00 N ATOM 0 H LYS A 48 -6.934 0.532 -6.500 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.561 3.443 -6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.147 0.894 -6.778 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.958 2.353 -6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.047 3.613 -8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.126 2.212 -8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.033 1.944 -10.028 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.508 0.994 -8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.384 2.390 -8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.430 3.318 -7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.218 4.710 -9.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.523 4.615 -9.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.447 3.716 -10.670 1.00 0.00 H new ATOM 741 N THR A 49 -7.764 1.184 -3.938 1.00 0.00 N ATOM 742 CA THR A 49 -7.962 0.997 -2.472 1.00 0.00 C ATOM 743 C THR A 49 -7.288 -0.312 -2.047 1.00 0.00 C ATOM 744 O THR A 49 -6.522 -0.897 -2.797 1.00 0.00 O ATOM 745 CB THR A 49 -9.469 0.963 -2.131 1.00 0.00 C ATOM 746 OG1 THR A 49 -10.243 0.741 -3.305 1.00 0.00 O ATOM 747 CG2 THR A 49 -9.881 2.297 -1.504 1.00 0.00 C ATOM 0 H THR A 49 -7.401 0.365 -4.425 1.00 0.00 H new ATOM 0 HA THR A 49 -7.514 1.832 -1.933 1.00 0.00 H new ATOM 0 HB THR A 49 -9.648 0.148 -1.429 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.120 -0.183 -3.608 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.944 2.273 -1.263 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.306 2.464 -0.593 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.687 3.106 -2.209 1.00 0.00 H new ATOM 755 N ILE A 50 -7.554 -0.754 -0.842 1.00 0.00 N ATOM 756 CA ILE A 50 -6.926 -2.010 -0.317 1.00 0.00 C ATOM 757 C ILE A 50 -7.541 -3.253 -0.977 1.00 0.00 C ATOM 758 O ILE A 50 -6.955 -4.321 -0.927 1.00 0.00 O ATOM 759 CB ILE A 50 -7.127 -2.088 1.199 1.00 0.00 C ATOM 760 CG1 ILE A 50 -6.644 -0.780 1.854 1.00 0.00 C ATOM 761 CG2 ILE A 50 -6.321 -3.268 1.753 1.00 0.00 C ATOM 762 CD1 ILE A 50 -7.846 0.033 2.345 1.00 0.00 C ATOM 0 H ILE A 50 -8.188 -0.292 -0.190 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.862 -1.985 -0.552 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.185 -2.230 1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.981 -1.005 2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.067 -0.196 1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.460 -3.329 2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.665 -4.193 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.264 -3.123 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.496 0.956 2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.493 0.272 1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.405 -0.550 3.077 1.00 0.00 H new ATOM 774 N ASP A 51 -8.710 -3.130 -1.581 1.00 0.00 N ATOM 775 CA ASP A 51 -9.357 -4.317 -2.234 1.00 0.00 C ATOM 776 C ASP A 51 -8.501 -4.780 -3.417 1.00 0.00 C ATOM 777 O ASP A 51 -8.173 -5.953 -3.520 1.00 0.00 O ATOM 778 CB ASP A 51 -10.772 -3.958 -2.707 1.00 0.00 C ATOM 779 CG ASP A 51 -10.735 -2.712 -3.595 1.00 0.00 C ATOM 780 OD1 ASP A 51 -10.163 -1.723 -3.172 1.00 0.00 O ATOM 781 OD2 ASP A 51 -11.280 -2.769 -4.685 1.00 0.00 O ATOM 0 H ASP A 51 -9.239 -2.260 -1.647 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.433 -5.128 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.201 -4.794 -3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.416 -3.780 -1.846 1.00 0.00 H new ATOM 786 N GLU A 52 -8.111 -3.868 -4.285 1.00 0.00 N ATOM 787 CA GLU A 52 -7.242 -4.239 -5.446 1.00 0.00 C ATOM 788 C GLU A 52 -5.838 -4.518 -4.911 1.00 0.00 C ATOM 789 O GLU A 52 -5.124 -5.367 -5.413 1.00 0.00 O ATOM 790 CB GLU A 52 -7.193 -3.078 -6.443 1.00 0.00 C ATOM 791 CG GLU A 52 -8.268 -3.277 -7.514 1.00 0.00 C ATOM 792 CD GLU A 52 -8.126 -2.199 -8.591 1.00 0.00 C ATOM 793 OE1 GLU A 52 -8.317 -1.038 -8.270 1.00 0.00 O ATOM 794 OE2 GLU A 52 -7.831 -2.554 -9.721 1.00 0.00 O ATOM 0 H GLU A 52 -8.361 -2.880 -4.235 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.638 -5.119 -5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.352 -2.133 -5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.208 -3.025 -6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.172 -4.267 -7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.259 -3.226 -7.063 1.00 0.00 H new ATOM 801 N CYS A 53 -5.463 -3.797 -3.880 1.00 0.00 N ATOM 802 CA CYS A 53 -4.125 -3.959 -3.241 1.00 0.00 C ATOM 803 C CYS A 53 -3.985 -5.369 -2.662 1.00 0.00 C ATOM 804 O CYS A 53 -2.955 -6.007 -2.808 1.00 0.00 O ATOM 805 CB CYS A 53 -4.034 -2.943 -2.103 1.00 0.00 C ATOM 806 SG CYS A 53 -2.322 -2.454 -1.816 1.00 0.00 S ATOM 0 H CYS A 53 -6.049 -3.084 -3.446 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.335 -3.803 -3.976 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.632 -2.065 -2.345 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.452 -3.372 -1.192 1.00 0.00 H new ATOM 811 N GLN A 54 -5.011 -5.837 -1.985 1.00 0.00 N ATOM 812 CA GLN A 54 -4.968 -7.195 -1.350 1.00 0.00 C ATOM 813 C GLN A 54 -4.908 -8.301 -2.410 1.00 0.00 C ATOM 814 O GLN A 54 -4.196 -9.277 -2.244 1.00 0.00 O ATOM 815 CB GLN A 54 -6.220 -7.385 -0.488 1.00 0.00 C ATOM 816 CG GLN A 54 -5.965 -8.479 0.552 1.00 0.00 C ATOM 817 CD GLN A 54 -6.810 -8.208 1.798 1.00 0.00 C ATOM 818 OE1 GLN A 54 -8.011 -8.044 1.708 1.00 0.00 O ATOM 819 NE2 GLN A 54 -6.229 -8.155 2.966 1.00 0.00 N ATOM 0 H GLN A 54 -5.885 -5.330 -1.845 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.070 -7.262 -0.736 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.477 -6.450 0.009 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.069 -7.656 -1.116 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.214 -9.455 0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.908 -8.505 0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.221 -8.293 3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.783 -7.976 3.804 1.00 0.00 H new ATOM 828 N ARG A 55 -5.666 -8.170 -3.476 1.00 0.00 N ATOM 829 CA ARG A 55 -5.689 -9.228 -4.542 1.00 0.00 C ATOM 830 C ARG A 55 -4.404 -9.201 -5.384 1.00 0.00 C ATOM 831 O ARG A 55 -3.891 -10.244 -5.760 1.00 0.00 O ATOM 832 CB ARG A 55 -6.897 -8.994 -5.456 1.00 0.00 C ATOM 833 CG ARG A 55 -7.027 -10.150 -6.457 1.00 0.00 C ATOM 834 CD ARG A 55 -7.753 -11.333 -5.806 1.00 0.00 C ATOM 835 NE ARG A 55 -9.076 -11.527 -6.467 1.00 0.00 N ATOM 836 CZ ARG A 55 -10.142 -10.955 -5.977 1.00 0.00 C ATOM 837 NH1 ARG A 55 -10.429 -9.724 -6.301 1.00 0.00 N ATOM 838 NH2 ARG A 55 -10.926 -11.618 -5.171 1.00 0.00 N ATOM 0 H ARG A 55 -6.274 -7.371 -3.655 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.760 -10.202 -4.058 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.806 -8.915 -4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.783 -8.051 -5.990 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.575 -9.818 -7.339 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.039 -10.461 -6.795 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.152 -12.238 -5.898 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.890 -11.148 -4.741 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.148 -12.107 -7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.820 -9.209 -6.937 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.262 -9.277 -5.918 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.706 -12.583 -4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.759 -11.171 -4.788 1.00 0.00 H new ATOM 852 N THR A 56 -3.912 -8.026 -5.716 1.00 0.00 N ATOM 853 CA THR A 56 -2.688 -7.919 -6.582 1.00 0.00 C ATOM 854 C THR A 56 -1.408 -8.366 -5.851 1.00 0.00 C ATOM 855 O THR A 56 -0.637 -9.138 -6.399 1.00 0.00 O ATOM 856 CB THR A 56 -2.529 -6.474 -7.076 1.00 0.00 C ATOM 857 OG1 THR A 56 -1.347 -6.371 -7.862 1.00 0.00 O ATOM 858 CG2 THR A 56 -2.437 -5.512 -5.892 1.00 0.00 C ATOM 0 H THR A 56 -4.308 -7.133 -5.423 1.00 0.00 H new ATOM 0 HA THR A 56 -2.828 -8.592 -7.428 1.00 0.00 H new ATOM 0 HB THR A 56 -3.399 -6.210 -7.677 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.244 -5.449 -8.179 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.325 -4.492 -6.260 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.345 -5.584 -5.293 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.576 -5.773 -5.277 1.00 0.00 H new ATOM 866 N CYS A 57 -1.153 -7.874 -4.651 1.00 0.00 N ATOM 867 CA CYS A 57 0.105 -8.258 -3.922 1.00 0.00 C ATOM 868 C CYS A 57 -0.143 -9.424 -2.959 1.00 0.00 C ATOM 869 O CYS A 57 0.615 -10.381 -2.945 1.00 0.00 O ATOM 870 CB CYS A 57 0.634 -7.051 -3.140 1.00 0.00 C ATOM 871 SG CYS A 57 2.443 -7.138 -3.052 1.00 0.00 S ATOM 0 H CYS A 57 -1.761 -7.226 -4.150 1.00 0.00 H new ATOM 0 HA CYS A 57 0.842 -8.576 -4.660 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.326 -6.125 -3.626 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.210 -7.040 -2.136 1.00 0.00 H new ATOM 876 N ALA A 58 -1.180 -9.344 -2.150 1.00 0.00 N ATOM 877 CA ALA A 58 -1.471 -10.440 -1.167 1.00 0.00 C ATOM 878 C ALA A 58 -1.923 -11.699 -1.910 1.00 0.00 C ATOM 879 O ALA A 58 -1.614 -12.806 -1.500 1.00 0.00 O ATOM 880 CB ALA A 58 -2.563 -9.984 -0.194 1.00 0.00 C ATOM 0 H ALA A 58 -1.837 -8.564 -2.130 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.565 -10.668 -0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.772 -10.782 0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.225 -9.098 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.470 -9.747 -0.750 1.00 0.00 H new ATOM 886 N ALA A 59 -2.648 -11.531 -2.996 1.00 0.00 N ATOM 887 CA ALA A 59 -3.134 -12.704 -3.790 1.00 0.00 C ATOM 888 C ALA A 59 -4.004 -13.598 -2.901 1.00 0.00 C ATOM 889 O ALA A 59 -3.496 -14.330 -2.066 1.00 0.00 O ATOM 890 CB ALA A 59 -1.933 -13.504 -4.298 1.00 0.00 C ATOM 0 H ALA A 59 -2.924 -10.622 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.723 -12.352 -4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.284 -14.359 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.313 -12.868 -4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.345 -13.856 -3.450 1.00 0.00 H new ATOM 896 N LYS A 60 -5.307 -13.537 -3.080 1.00 0.00 N ATOM 897 CA LYS A 60 -6.239 -14.373 -2.256 1.00 0.00 C ATOM 898 C LYS A 60 -6.996 -15.340 -3.171 1.00 0.00 C ATOM 899 O LYS A 60 -6.635 -15.524 -4.322 1.00 0.00 O ATOM 900 CB LYS A 60 -7.237 -13.463 -1.532 1.00 0.00 C ATOM 901 CG LYS A 60 -6.479 -12.405 -0.721 1.00 0.00 C ATOM 902 CD LYS A 60 -6.444 -12.811 0.758 1.00 0.00 C ATOM 903 CE LYS A 60 -5.105 -13.481 1.078 1.00 0.00 C ATOM 904 NZ LYS A 60 -4.676 -13.103 2.454 1.00 0.00 N ATOM 0 H LYS A 60 -5.765 -12.939 -3.767 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.668 -14.940 -1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.893 -12.979 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.871 -14.055 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.464 -12.299 -1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.963 -11.434 -0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.582 -11.933 1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.265 -13.494 0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.200 -14.564 1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.351 -13.175 0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.766 -13.558 2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.569 -12.070 2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.393 -13.417 3.139 1.00 0.00 H new ATOM 918 N TYR A 61 -8.044 -15.953 -2.657 1.00 0.00 N ATOM 919 CA TYR A 61 -8.853 -16.916 -3.469 1.00 0.00 C ATOM 920 C TYR A 61 -9.397 -16.207 -4.712 1.00 0.00 C ATOM 921 O TYR A 61 -9.328 -14.993 -4.820 1.00 0.00 O ATOM 922 CB TYR A 61 -10.026 -17.431 -2.632 1.00 0.00 C ATOM 923 CG TYR A 61 -9.560 -18.550 -1.731 1.00 0.00 C ATOM 924 CD1 TYR A 61 -8.756 -18.267 -0.621 1.00 0.00 C ATOM 925 CD2 TYR A 61 -9.934 -19.872 -2.005 1.00 0.00 C ATOM 926 CE1 TYR A 61 -8.325 -19.303 0.215 1.00 0.00 C ATOM 927 CE2 TYR A 61 -9.501 -20.910 -1.169 1.00 0.00 C ATOM 928 CZ TYR A 61 -8.697 -20.625 -0.059 1.00 0.00 C ATOM 929 OH TYR A 61 -8.271 -21.647 0.766 1.00 0.00 O ATOM 0 H TYR A 61 -8.372 -15.823 -1.700 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.222 -17.752 -3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -10.442 -16.620 -2.034 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.823 -17.786 -3.286 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.468 -17.248 -0.409 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.556 -20.091 -2.860 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.705 -19.083 1.072 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.787 -21.930 -1.381 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.619 -22.501 0.435 1.00 0.00 H new ATOM 939 N GLY A 62 -9.939 -16.963 -5.640 1.00 0.00 N ATOM 940 CA GLY A 62 -10.504 -16.369 -6.893 1.00 0.00 C ATOM 941 C GLY A 62 -11.010 -17.491 -7.797 1.00 0.00 C ATOM 942 O GLY A 62 -11.796 -18.326 -7.377 1.00 0.00 O ATOM 0 H GLY A 62 -10.014 -17.978 -5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.318 -15.686 -6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.741 -15.786 -7.409 1.00 0.00 H new ATOM 946 N ARG A 63 -10.556 -17.515 -9.032 1.00 0.00 N ATOM 947 CA ARG A 63 -10.988 -18.579 -9.991 1.00 0.00 C ATOM 948 C ARG A 63 -9.863 -19.606 -10.152 1.00 0.00 C ATOM 949 O ARG A 63 -8.817 -19.491 -9.531 1.00 0.00 O ATOM 950 CB ARG A 63 -11.299 -17.946 -11.347 1.00 0.00 C ATOM 951 CG ARG A 63 -12.696 -17.318 -11.309 1.00 0.00 C ATOM 952 CD ARG A 63 -13.319 -17.340 -12.709 1.00 0.00 C ATOM 953 NE ARG A 63 -14.457 -18.303 -12.732 1.00 0.00 N ATOM 954 CZ ARG A 63 -14.985 -18.658 -13.873 1.00 0.00 C ATOM 955 NH1 ARG A 63 -15.675 -17.796 -14.568 1.00 0.00 N ATOM 956 NH2 ARG A 63 -14.823 -19.874 -14.317 1.00 0.00 N ATOM 0 H ARG A 63 -9.899 -16.836 -9.416 1.00 0.00 H new ATOM 0 HA ARG A 63 -11.881 -19.074 -9.609 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.554 -17.187 -11.586 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.249 -18.700 -12.132 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -13.330 -17.864 -10.611 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -12.633 -16.292 -10.946 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.667 -16.343 -12.979 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.570 -17.628 -13.447 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.822 -18.684 -11.859 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.802 -16.845 -14.220 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.087 -18.073 -15.459 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.284 -20.548 -13.773 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.235 -20.151 -15.208 1.00 0.00 H new ATOM 970 N SER A 64 -10.077 -20.603 -10.983 1.00 0.00 N ATOM 971 CA SER A 64 -9.035 -21.654 -11.210 1.00 0.00 C ATOM 972 C SER A 64 -8.035 -21.163 -12.258 1.00 0.00 C ATOM 973 O SER A 64 -8.156 -20.061 -12.774 1.00 0.00 O ATOM 974 CB SER A 64 -9.703 -22.937 -11.704 1.00 0.00 C ATOM 975 OG SER A 64 -8.961 -24.059 -11.243 1.00 0.00 O ATOM 0 H SER A 64 -10.937 -20.732 -11.517 1.00 0.00 H new ATOM 0 HA SER A 64 -8.512 -21.854 -10.275 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.729 -22.990 -11.340 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.751 -22.940 -12.793 1.00 0.00 H new ATOM 0 HG SER A 64 -9.387 -24.884 -11.556 1.00 0.00 H new ATOM 981 N SER A 65 -7.051 -21.978 -12.569 1.00 0.00 N ATOM 982 CA SER A 65 -6.018 -21.591 -13.582 1.00 0.00 C ATOM 983 C SER A 65 -6.543 -21.898 -14.986 1.00 0.00 C ATOM 984 O SER A 65 -6.785 -23.060 -15.267 1.00 0.00 O ATOM 985 CB SER A 65 -4.737 -22.386 -13.330 1.00 0.00 C ATOM 986 OG SER A 65 -4.367 -22.256 -11.963 1.00 0.00 O ATOM 987 OXT SER A 65 -6.696 -20.964 -15.757 1.00 0.00 O ATOM 0 H SER A 65 -6.920 -22.903 -12.159 1.00 0.00 H new ATOM 0 HA SER A 65 -5.806 -20.525 -13.499 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.891 -23.436 -13.579 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.936 -22.021 -13.972 1.00 0.00 H new ATOM 0 HG SER A 65 -3.547 -22.766 -11.796 1.00 0.00 H new TER 993 SER A 65