USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 485 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 18 GLN : amide:sc= 0.0697 X(o=0.13,f=0.16) USER MOD Set 1.2: A 38 SER OG : rot 180:sc= 0.0604 USER MOD Set 2.1: A 24 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 26 ASN : amide:sc= -0.0459 K(o=-0.049,f=-3.5!) USER MOD Set 2.3: A 28 LYS NZ :NH3+ 169:sc= -0.0033 (180deg=-0.115) USER MOD Set 3.1: A 10 HIS : no HD1:sc= -0.667 X(o=-3.1,f=-3.5) USER MOD Set 3.2: A 12 ASN : amide:sc= -2.4 K(o=-3.1,f=-1.9) USER MOD Set 3.3: A 43 ASN : amide:sc= 0 K(o=-3.1,f=-1.9) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -168:sc=-0.00859 (180deg=-0.146) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc=-0.00687 K(o=-0.0069,f=-1.8!) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= -0.262 (180deg=-0.386) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.4) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 8:sc= 0.18 USER MOD Single : A 45 ASN : amide:sc= -0.166 K(o=-0.17,f=-0.98) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0198) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.081 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 ----------------------------------------------------------------- ATOM 34 N LEU A 3 -12.700 -5.753 -5.685 1.00 0.00 N ATOM 35 CA LEU A 3 -11.922 -5.798 -4.450 1.00 0.00 C ATOM 36 C LEU A 3 -11.025 -7.049 -4.439 1.00 0.00 C ATOM 37 O LEU A 3 -11.288 -8.009 -5.165 1.00 0.00 O ATOM 38 CB LEU A 3 -12.825 -5.699 -3.198 1.00 0.00 C ATOM 39 CG LEU A 3 -14.121 -6.540 -3.105 1.00 0.00 C ATOM 40 CD1 LEU A 3 -15.333 -5.826 -3.729 1.00 0.00 C ATOM 41 CD2 LEU A 3 -13.992 -7.980 -3.624 1.00 0.00 C ATOM 0 HA LEU A 3 -11.272 -4.924 -4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -12.210 -5.956 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.110 -4.653 -3.087 1.00 0.00 H new ATOM 0 HG LEU A 3 -14.299 -6.633 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -16.215 -6.459 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.507 -4.883 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.136 -5.629 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.949 -8.492 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.703 -7.963 -4.675 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.233 -8.508 -3.047 1.00 0.00 H new ATOM 53 N ARG A 4 -9.953 -7.036 -3.626 1.00 0.00 N ATOM 54 CA ARG A 4 -9.015 -8.157 -3.534 1.00 0.00 C ATOM 55 C ARG A 4 -8.358 -8.289 -2.167 1.00 0.00 C ATOM 56 O ARG A 4 -8.629 -7.560 -1.212 1.00 0.00 O ATOM 57 CB ARG A 4 -7.940 -8.057 -4.648 1.00 0.00 C ATOM 58 CG ARG A 4 -7.595 -9.336 -5.445 1.00 0.00 C ATOM 59 CD ARG A 4 -8.701 -9.826 -6.398 1.00 0.00 C ATOM 60 NE ARG A 4 -9.840 -10.437 -5.696 1.00 0.00 N ATOM 61 CZ ARG A 4 -9.848 -11.626 -5.065 1.00 0.00 C ATOM 62 NH1 ARG A 4 -8.775 -12.433 -5.070 1.00 0.00 N ATOM 63 NH2 ARG A 4 -10.953 -12.011 -4.411 1.00 0.00 N ATOM 0 H ARG A 4 -9.718 -6.250 -3.020 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.605 -9.063 -3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.267 -7.299 -5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.020 -7.690 -4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.691 -9.152 -6.026 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.364 -10.134 -4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.058 -8.986 -6.993 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -8.278 -10.552 -7.092 1.00 0.00 H new ATOM 0 HE ARG A 4 -10.711 -9.907 -5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -7.926 -12.150 -5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -8.808 -13.329 -4.584 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -11.774 -11.406 -4.396 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.973 -12.909 -3.929 1.00 0.00 H new ATOM 77 N LYS A 5 -7.476 -9.289 -2.142 1.00 0.00 N ATOM 78 CA LYS A 5 -6.645 -9.712 -1.023 1.00 0.00 C ATOM 79 C LYS A 5 -5.427 -8.804 -0.867 1.00 0.00 C ATOM 80 O LYS A 5 -4.830 -8.741 0.205 1.00 0.00 O ATOM 81 CB LYS A 5 -6.240 -11.186 -1.195 1.00 0.00 C ATOM 82 CG LYS A 5 -7.463 -12.116 -1.248 1.00 0.00 C ATOM 83 CD LYS A 5 -7.036 -13.580 -1.420 1.00 0.00 C ATOM 84 CE LYS A 5 -8.263 -14.498 -1.499 1.00 0.00 C ATOM 85 NZ LYS A 5 -7.875 -15.908 -1.675 1.00 0.00 N ATOM 0 H LYS A 5 -7.315 -9.865 -2.968 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.224 -9.625 -0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.659 -11.298 -2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.594 -11.483 -0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.045 -12.009 -0.333 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.111 -11.823 -2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.438 -13.685 -2.325 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.404 -13.880 -0.584 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.855 -14.394 -0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.897 -14.188 -2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.729 -16.499 -1.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.331 -16.011 -2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.291 -16.210 -0.870 1.00 0.00 H new ATOM 99 N LEU A 6 -5.079 -8.089 -1.941 1.00 0.00 N ATOM 100 CA LEU A 6 -4.002 -7.117 -2.014 1.00 0.00 C ATOM 101 C LEU A 6 -4.190 -6.027 -0.944 1.00 0.00 C ATOM 102 O LEU A 6 -3.222 -5.414 -0.499 1.00 0.00 O ATOM 103 CB LEU A 6 -4.003 -6.500 -3.433 1.00 0.00 C ATOM 104 CG LEU A 6 -2.643 -6.220 -4.086 1.00 0.00 C ATOM 105 CD1 LEU A 6 -1.821 -5.278 -3.216 1.00 0.00 C ATOM 106 CD2 LEU A 6 -1.872 -7.512 -4.396 1.00 0.00 C ATOM 0 H LEU A 6 -5.573 -8.184 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.045 -7.602 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.560 -7.168 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.555 -5.561 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.830 -5.732 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.859 -5.089 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.356 -4.336 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.659 -5.734 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.916 -7.264 -4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.697 -8.062 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.455 -8.129 -5.080 1.00 0.00 H new ATOM 118 N CYS A 7 -5.445 -5.816 -0.524 1.00 0.00 N ATOM 119 CA CYS A 7 -5.812 -4.804 0.471 1.00 0.00 C ATOM 120 C CYS A 7 -5.840 -5.321 1.919 1.00 0.00 C ATOM 121 O CYS A 7 -6.204 -4.554 2.811 1.00 0.00 O ATOM 122 CB CYS A 7 -7.148 -4.187 0.047 1.00 0.00 C ATOM 123 SG CYS A 7 -6.975 -3.169 -1.443 1.00 0.00 S ATOM 0 H CYS A 7 -6.242 -6.350 -0.871 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.031 -4.044 0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.873 -4.980 -0.136 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.542 -3.577 0.860 1.00 0.00 H new ATOM 128 N ILE A 8 -5.453 -6.581 2.177 1.00 0.00 N ATOM 129 CA ILE A 8 -5.410 -7.165 3.524 1.00 0.00 C ATOM 130 C ILE A 8 -4.098 -7.934 3.772 1.00 0.00 C ATOM 131 O ILE A 8 -3.991 -8.609 4.796 1.00 0.00 O ATOM 132 CB ILE A 8 -6.686 -7.996 3.831 1.00 0.00 C ATOM 133 CG1 ILE A 8 -7.025 -9.086 2.795 1.00 0.00 C ATOM 134 CG2 ILE A 8 -7.900 -7.055 3.938 1.00 0.00 C ATOM 135 CD1 ILE A 8 -6.085 -10.296 2.825 1.00 0.00 C ATOM 0 H ILE A 8 -5.158 -7.229 1.446 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.411 -6.346 4.243 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.467 -8.510 4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.046 -9.429 2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.999 -8.645 1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.795 -7.639 4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.734 -6.336 4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.032 -6.523 2.996 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.393 -11.015 2.066 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.065 -9.969 2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.127 -10.765 3.808 1.00 0.00 H new ATOM 147 N LEU A 9 -3.095 -7.832 2.876 1.00 0.00 N ATOM 148 CA LEU A 9 -1.790 -8.482 3.033 1.00 0.00 C ATOM 149 C LEU A 9 -0.762 -7.493 3.628 1.00 0.00 C ATOM 150 O LEU A 9 0.438 -7.735 3.496 1.00 0.00 O ATOM 151 CB LEU A 9 -1.323 -9.033 1.666 1.00 0.00 C ATOM 152 CG LEU A 9 -2.075 -10.298 1.206 1.00 0.00 C ATOM 153 CD1 LEU A 9 -1.805 -10.553 -0.285 1.00 0.00 C ATOM 154 CD2 LEU A 9 -1.665 -11.540 2.015 1.00 0.00 C ATOM 0 H LEU A 9 -3.175 -7.289 2.016 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.879 -9.316 3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.447 -8.256 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.258 -9.257 1.722 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.138 -10.123 1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.339 -11.448 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.148 -9.699 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.736 -10.693 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.220 -12.407 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.596 -11.717 1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.888 -11.377 3.069 1.00 0.00 H new ATOM 166 N HIS A 10 -1.227 -6.409 4.288 1.00 0.00 N ATOM 167 CA HIS A 10 -0.476 -5.321 4.932 1.00 0.00 C ATOM 168 C HIS A 10 0.551 -4.662 3.992 1.00 0.00 C ATOM 169 O HIS A 10 0.827 -5.163 2.904 1.00 0.00 O ATOM 170 CB HIS A 10 0.146 -5.794 6.264 1.00 0.00 C ATOM 171 CG HIS A 10 1.179 -6.893 6.162 1.00 0.00 C ATOM 172 ND1 HIS A 10 0.876 -8.216 6.489 1.00 0.00 N ATOM 173 CD2 HIS A 10 2.486 -6.829 5.756 1.00 0.00 C ATOM 174 CE1 HIS A 10 2.000 -8.896 6.246 1.00 0.00 C ATOM 175 NE2 HIS A 10 2.993 -8.110 5.803 1.00 0.00 N ATOM 0 H HIS A 10 -2.232 -6.265 4.390 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.189 -4.532 5.169 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.606 -4.935 6.752 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.658 -6.138 6.915 1.00 0.00 H new ATOM 0 HD2 HIS A 10 3.020 -5.940 5.455 1.00 0.00 H new ATOM 0 HE1 HIS A 10 2.099 -9.962 6.390 1.00 0.00 H new ATOM 0 HE2 HIS A 10 3.937 -8.403 5.551 1.00 0.00 H new ATOM 183 N ARG A 11 1.102 -3.507 4.392 1.00 0.00 N ATOM 184 CA ARG A 11 2.078 -2.752 3.636 1.00 0.00 C ATOM 185 C ARG A 11 3.486 -3.333 3.838 1.00 0.00 C ATOM 186 O ARG A 11 3.916 -3.546 4.971 1.00 0.00 O ATOM 187 CB ARG A 11 1.945 -1.277 4.045 1.00 0.00 C ATOM 188 CG ARG A 11 2.705 -0.768 5.279 1.00 0.00 C ATOM 189 CD ARG A 11 2.172 -1.347 6.599 1.00 0.00 C ATOM 190 NE ARG A 11 2.957 -0.888 7.754 1.00 0.00 N ATOM 191 CZ ARG A 11 2.908 0.333 8.319 1.00 0.00 C ATOM 192 NH1 ARG A 11 2.102 1.294 7.842 1.00 0.00 N ATOM 193 NH2 ARG A 11 3.682 0.596 9.381 1.00 0.00 N ATOM 0 H ARG A 11 0.864 -3.069 5.282 1.00 0.00 H new ATOM 0 HA ARG A 11 1.897 -2.822 2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.258 -0.672 3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.886 -1.076 4.206 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.760 -1.022 5.178 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.641 0.320 5.314 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.130 -1.055 6.729 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.195 -2.436 6.554 1.00 0.00 H new ATOM 0 HE ARG A 11 3.602 -1.561 8.168 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.508 1.107 7.034 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.083 2.211 8.288 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.300 -0.125 9.753 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.653 1.518 9.817 1.00 0.00 H new ATOM 207 N ASN A 12 4.189 -3.604 2.729 1.00 0.00 N ATOM 208 CA ASN A 12 5.541 -4.161 2.700 1.00 0.00 C ATOM 209 C ASN A 12 6.473 -3.230 1.919 1.00 0.00 C ATOM 210 O ASN A 12 6.801 -3.520 0.768 1.00 0.00 O ATOM 211 CB ASN A 12 5.570 -5.613 2.166 1.00 0.00 C ATOM 212 CG ASN A 12 4.439 -6.504 2.680 1.00 0.00 C ATOM 213 OD1 ASN A 12 4.676 -7.416 3.468 1.00 0.00 O ATOM 214 ND2 ASN A 12 3.212 -6.261 2.226 1.00 0.00 N ATOM 0 H ASN A 12 3.814 -3.434 1.796 1.00 0.00 H new ATOM 0 HA ASN A 12 5.906 -4.223 3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.527 -5.586 1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.523 -6.067 2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.431 -6.841 2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.053 -5.495 1.572 1.00 0.00 H new ATOM 221 N PRO A 13 6.908 -2.104 2.523 1.00 0.00 N ATOM 222 CA PRO A 13 7.829 -1.161 1.897 1.00 0.00 C ATOM 223 C PRO A 13 9.145 -1.865 1.540 1.00 0.00 C ATOM 224 O PRO A 13 9.703 -1.643 0.470 1.00 0.00 O ATOM 225 CB PRO A 13 7.975 0.004 2.887 1.00 0.00 C ATOM 226 CG PRO A 13 7.605 -0.608 4.235 1.00 0.00 C ATOM 227 CD PRO A 13 6.535 -1.624 3.845 1.00 0.00 C ATOM 0 HA PRO A 13 7.466 -0.770 0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.991 0.398 2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.314 0.832 2.630 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.461 -1.082 4.716 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.223 0.139 4.930 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.495 -2.444 4.562 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.547 -1.165 3.830 1.00 0.00 H new ATOM 235 N GLY A 14 9.589 -2.738 2.448 1.00 0.00 N ATOM 236 CA GLY A 14 10.757 -3.600 2.366 1.00 0.00 C ATOM 237 C GLY A 14 12.105 -2.898 2.264 1.00 0.00 C ATOM 238 O GLY A 14 12.487 -2.446 1.191 1.00 0.00 O ATOM 0 H GLY A 14 9.095 -2.866 3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.771 -4.243 3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.643 -4.250 1.499 1.00 0.00 H new ATOM 242 N ARG A 15 12.847 -2.891 3.373 1.00 0.00 N ATOM 243 CA ARG A 15 14.170 -2.280 3.523 1.00 0.00 C ATOM 244 C ARG A 15 15.145 -2.891 2.503 1.00 0.00 C ATOM 245 O ARG A 15 15.505 -4.062 2.624 1.00 0.00 O ATOM 246 CB ARG A 15 14.672 -2.471 4.969 1.00 0.00 C ATOM 247 CG ARG A 15 14.066 -1.475 5.977 1.00 0.00 C ATOM 248 CD ARG A 15 12.534 -1.515 6.121 1.00 0.00 C ATOM 249 NE ARG A 15 12.026 -2.859 6.437 1.00 0.00 N ATOM 250 CZ ARG A 15 12.097 -3.479 7.629 1.00 0.00 C ATOM 251 NH1 ARG A 15 12.656 -2.887 8.696 1.00 0.00 N ATOM 252 NH2 ARG A 15 11.597 -4.717 7.754 1.00 0.00 N ATOM 0 H ARG A 15 12.526 -3.333 4.234 1.00 0.00 H new ATOM 0 HA ARG A 15 14.106 -1.210 3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 15 14.441 -3.486 5.292 1.00 0.00 H new ATOM 0 HB3 ARG A 15 15.757 -2.371 4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 15 14.509 -1.663 6.955 1.00 0.00 H new ATOM 0 HG3 ARG A 15 14.358 -0.467 5.683 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.229 -0.823 6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.077 -1.168 5.194 1.00 0.00 H new ATOM 0 HE ARG A 15 11.576 -3.371 5.678 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.039 -1.945 8.614 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.697 -3.379 9.589 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.169 -5.178 6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.645 -5.198 8.652 1.00 0.00 H new ATOM 266 N CYS A 16 15.565 -2.096 1.502 1.00 0.00 N ATOM 267 CA CYS A 16 16.474 -2.531 0.438 1.00 0.00 C ATOM 268 C CYS A 16 17.145 -1.332 -0.245 1.00 0.00 C ATOM 269 O CYS A 16 18.369 -1.256 -0.339 1.00 0.00 O ATOM 270 CB CYS A 16 15.670 -3.362 -0.583 1.00 0.00 C ATOM 271 SG CYS A 16 16.519 -4.507 -1.706 1.00 0.00 S ATOM 0 H CYS A 16 15.276 -1.122 1.413 1.00 0.00 H new ATOM 0 HA CYS A 16 17.269 -3.140 0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 16 14.940 -3.944 -0.021 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.111 -2.660 -1.201 1.00 0.00 H new ATOM 276 N TYR A 17 16.297 -0.412 -0.712 1.00 0.00 N ATOM 277 CA TYR A 17 16.612 0.822 -1.432 1.00 0.00 C ATOM 278 C TYR A 17 15.351 1.707 -1.433 1.00 0.00 C ATOM 279 O TYR A 17 14.494 1.567 -2.307 1.00 0.00 O ATOM 280 CB TYR A 17 17.033 0.490 -2.882 1.00 0.00 C ATOM 281 CG TYR A 17 18.463 0.002 -3.050 1.00 0.00 C ATOM 282 CD1 TYR A 17 19.546 0.880 -2.815 1.00 0.00 C ATOM 283 CD2 TYR A 17 18.718 -1.337 -3.426 1.00 0.00 C ATOM 284 CE1 TYR A 17 20.874 0.416 -2.934 1.00 0.00 C ATOM 285 CE2 TYR A 17 20.044 -1.801 -3.543 1.00 0.00 C ATOM 286 CZ TYR A 17 21.124 -0.926 -3.295 1.00 0.00 C ATOM 287 OH TYR A 17 22.410 -1.372 -3.404 1.00 0.00 O ATOM 0 H TYR A 17 15.291 -0.521 -0.585 1.00 0.00 H new ATOM 0 HA TYR A 17 17.437 1.346 -0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.359 -0.272 -3.273 1.00 0.00 H new ATOM 0 HB3 TYR A 17 16.897 1.381 -3.495 1.00 0.00 H new ATOM 0 HD1 TYR A 17 19.357 1.908 -2.544 1.00 0.00 H new ATOM 0 HD2 TYR A 17 17.894 -2.007 -3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 17 21.699 1.088 -2.749 1.00 0.00 H new ATOM 0 HE2 TYR A 17 20.234 -2.827 -3.823 1.00 0.00 H new ATOM 0 HH TYR A 17 22.408 -2.318 -3.659 1.00 0.00 H new ATOM 297 N GLN A 18 15.238 2.611 -0.448 1.00 0.00 N ATOM 298 CA GLN A 18 14.111 3.532 -0.279 1.00 0.00 C ATOM 299 C GLN A 18 14.107 4.592 -1.387 1.00 0.00 C ATOM 300 O GLN A 18 15.005 5.435 -1.419 1.00 0.00 O ATOM 301 CB GLN A 18 14.174 4.144 1.132 1.00 0.00 C ATOM 302 CG GLN A 18 12.930 4.988 1.441 1.00 0.00 C ATOM 303 CD GLN A 18 12.853 5.382 2.917 1.00 0.00 C ATOM 304 OE1 GLN A 18 13.177 6.510 3.282 1.00 0.00 O ATOM 305 NE2 GLN A 18 12.414 4.452 3.772 1.00 0.00 N ATOM 0 H GLN A 18 15.951 2.722 0.273 1.00 0.00 H new ATOM 0 HA GLN A 18 13.167 2.994 -0.371 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.266 3.347 1.870 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.066 4.765 1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.941 5.888 0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.036 4.428 1.169 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.155 3.527 3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.339 4.668 4.766 1.00 0.00 H new ATOM 314 N LYS A 19 13.106 4.551 -2.292 1.00 0.00 N ATOM 315 CA LYS A 19 13.043 5.469 -3.428 1.00 0.00 C ATOM 316 C LYS A 19 11.693 5.664 -4.139 1.00 0.00 C ATOM 317 O LYS A 19 11.627 6.523 -5.018 1.00 0.00 O ATOM 318 CB LYS A 19 14.006 4.852 -4.459 1.00 0.00 C ATOM 319 CG LYS A 19 14.414 5.715 -5.663 1.00 0.00 C ATOM 320 CD LYS A 19 15.011 7.057 -5.212 1.00 0.00 C ATOM 321 CE LYS A 19 15.670 7.825 -6.366 1.00 0.00 C ATOM 322 NZ LYS A 19 16.870 7.144 -6.884 1.00 0.00 N ATOM 0 H LYS A 19 12.333 3.887 -2.250 1.00 0.00 H new ATOM 0 HA LYS A 19 13.273 6.461 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.915 4.558 -3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.548 3.939 -4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 19 15.142 5.176 -6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.544 5.896 -6.295 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.225 7.671 -4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.749 6.878 -4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.949 7.949 -7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.942 8.824 -6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.390 7.788 -7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.482 6.866 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.586 6.296 -7.415 1.00 0.00 H new ATOM 336 N ILE A 20 10.629 4.921 -3.799 1.00 0.00 N ATOM 337 CA ILE A 20 9.358 5.009 -4.545 1.00 0.00 C ATOM 338 C ILE A 20 8.178 5.360 -3.632 1.00 0.00 C ATOM 339 O ILE A 20 7.315 4.514 -3.402 1.00 0.00 O ATOM 340 CB ILE A 20 9.121 3.673 -5.319 1.00 0.00 C ATOM 341 CG1 ILE A 20 10.316 3.221 -6.192 1.00 0.00 C ATOM 342 CG2 ILE A 20 7.863 3.738 -6.207 1.00 0.00 C ATOM 343 CD1 ILE A 20 10.502 3.953 -7.521 1.00 0.00 C ATOM 0 H ILE A 20 10.619 4.259 -3.023 1.00 0.00 H new ATOM 0 HA ILE A 20 9.430 5.824 -5.265 1.00 0.00 H new ATOM 0 HB ILE A 20 8.989 2.932 -4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 20 11.229 3.336 -5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.204 2.157 -6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.735 2.789 -6.727 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.989 3.932 -5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.974 4.540 -6.937 1.00 0.00 H new ATOM 0 HD11 ILE A 20 11.370 3.548 -8.041 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.614 3.818 -8.138 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.655 5.016 -7.333 1.00 0.00 H new ATOM 355 N PRO A 21 8.069 6.602 -3.124 1.00 0.00 N ATOM 356 CA PRO A 21 6.950 6.949 -2.274 1.00 0.00 C ATOM 357 C PRO A 21 5.621 6.824 -3.009 1.00 0.00 C ATOM 358 O PRO A 21 5.451 7.286 -4.138 1.00 0.00 O ATOM 359 CB PRO A 21 7.183 8.339 -1.726 1.00 0.00 C ATOM 360 CG PRO A 21 8.290 8.916 -2.618 1.00 0.00 C ATOM 361 CD PRO A 21 9.022 7.695 -3.193 1.00 0.00 C ATOM 0 HA PRO A 21 6.885 6.247 -1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.277 8.943 -1.775 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.490 8.308 -0.680 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.873 9.535 -3.412 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.968 9.548 -2.045 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.338 7.875 -4.220 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.920 7.469 -2.618 1.00 0.00 H new ATOM 369 N ALA A 22 4.702 6.164 -2.307 1.00 0.00 N ATOM 370 CA ALA A 22 3.347 5.874 -2.774 1.00 0.00 C ATOM 371 C ALA A 22 2.359 5.917 -1.597 1.00 0.00 C ATOM 372 O ALA A 22 2.478 6.803 -0.750 1.00 0.00 O ATOM 373 CB ALA A 22 3.387 4.532 -3.528 1.00 0.00 C ATOM 0 H ALA A 22 4.885 5.805 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 22 2.984 6.629 -3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.388 4.288 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.070 4.610 -4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.731 3.747 -2.855 1.00 0.00 H new ATOM 379 N PHE A 23 1.371 5.005 -1.552 1.00 0.00 N ATOM 380 CA PHE A 23 0.353 4.918 -0.503 1.00 0.00 C ATOM 381 C PHE A 23 0.067 3.444 -0.126 1.00 0.00 C ATOM 382 O PHE A 23 0.381 2.516 -0.872 1.00 0.00 O ATOM 383 CB PHE A 23 -0.989 5.508 -0.989 1.00 0.00 C ATOM 384 CG PHE A 23 -1.046 6.931 -1.530 1.00 0.00 C ATOM 385 CD1 PHE A 23 -0.318 7.308 -2.681 1.00 0.00 C ATOM 386 CD2 PHE A 23 -1.885 7.881 -0.905 1.00 0.00 C ATOM 387 CE1 PHE A 23 -0.296 8.658 -3.093 1.00 0.00 C ATOM 388 CE2 PHE A 23 -1.892 9.223 -1.336 1.00 0.00 C ATOM 389 CZ PHE A 23 -1.079 9.617 -2.419 1.00 0.00 C ATOM 0 H PHE A 23 1.260 4.288 -2.269 1.00 0.00 H new ATOM 0 HA PHE A 23 0.742 5.472 0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.368 4.849 -1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.689 5.450 -0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.222 6.563 -3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.526 7.576 -0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.322 8.957 -3.927 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.519 9.948 -0.838 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.056 10.651 -2.731 1.00 0.00 H new ATOM 399 N TYR A 24 -0.589 3.257 1.027 1.00 0.00 N ATOM 400 CA TYR A 24 -1.037 1.997 1.625 1.00 0.00 C ATOM 401 C TYR A 24 -2.392 2.227 2.305 1.00 0.00 C ATOM 402 O TYR A 24 -2.631 3.314 2.825 1.00 0.00 O ATOM 403 CB TYR A 24 -0.014 1.449 2.642 1.00 0.00 C ATOM 404 CG TYR A 24 -0.231 1.853 4.103 1.00 0.00 C ATOM 405 CD1 TYR A 24 0.037 3.172 4.533 1.00 0.00 C ATOM 406 CD2 TYR A 24 -0.770 0.924 5.026 1.00 0.00 C ATOM 407 CE1 TYR A 24 -0.132 3.529 5.887 1.00 0.00 C ATOM 408 CE2 TYR A 24 -0.968 1.288 6.373 1.00 0.00 C ATOM 409 CZ TYR A 24 -0.645 2.590 6.808 1.00 0.00 C ATOM 410 OH TYR A 24 -0.826 2.935 8.117 1.00 0.00 O ATOM 0 H TYR A 24 -0.840 4.053 1.614 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.134 1.252 0.835 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.021 0.361 2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.980 1.778 2.339 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.373 3.911 3.821 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.031 -0.070 4.695 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.131 4.522 6.220 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.368 0.569 7.073 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.023 3.893 8.179 1.00 0.00 H new ATOM 420 N TYR A 25 -3.236 1.190 2.400 1.00 0.00 N ATOM 421 CA TYR A 25 -4.558 1.310 3.017 1.00 0.00 C ATOM 422 C TYR A 25 -4.372 1.286 4.537 1.00 0.00 C ATOM 423 O TYR A 25 -3.947 0.263 5.076 1.00 0.00 O ATOM 424 CB TYR A 25 -5.450 0.159 2.524 1.00 0.00 C ATOM 425 CG TYR A 25 -6.878 0.088 3.059 1.00 0.00 C ATOM 426 CD1 TYR A 25 -7.596 1.257 3.408 1.00 0.00 C ATOM 427 CD2 TYR A 25 -7.518 -1.170 3.161 1.00 0.00 C ATOM 428 CE1 TYR A 25 -8.942 1.170 3.823 1.00 0.00 C ATOM 429 CE2 TYR A 25 -8.876 -1.253 3.535 1.00 0.00 C ATOM 430 CZ TYR A 25 -9.590 -0.082 3.865 1.00 0.00 C ATOM 431 OH TYR A 25 -10.907 -0.153 4.219 1.00 0.00 O ATOM 0 H TYR A 25 -3.022 0.255 2.054 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.048 2.244 2.741 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.502 0.217 1.437 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.953 -0.779 2.770 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.111 2.221 3.356 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.963 -2.073 2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.477 2.064 4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.369 -2.213 3.569 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.202 -1.087 4.197 1.00 0.00 H new ATOM 441 N ASN A 26 -4.659 2.409 5.229 1.00 0.00 N ATOM 442 CA ASN A 26 -4.503 2.504 6.664 1.00 0.00 C ATOM 443 C ASN A 26 -5.748 1.880 7.291 1.00 0.00 C ATOM 444 O ASN A 26 -6.771 2.551 7.435 1.00 0.00 O ATOM 445 CB ASN A 26 -4.297 3.980 7.048 1.00 0.00 C ATOM 446 CG ASN A 26 -3.769 4.157 8.473 1.00 0.00 C ATOM 447 OD1 ASN A 26 -3.786 3.226 9.274 1.00 0.00 O ATOM 448 ND2 ASN A 26 -3.265 5.351 8.786 1.00 0.00 N ATOM 0 H ASN A 26 -5.004 3.264 4.793 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.629 1.967 7.032 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.599 4.438 6.348 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.243 4.512 6.948 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.877 5.513 9.715 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.267 6.102 8.096 1.00 0.00 H new ATOM 455 N GLN A 27 -5.657 0.588 7.647 1.00 0.00 N ATOM 456 CA GLN A 27 -6.747 -0.173 8.253 1.00 0.00 C ATOM 457 C GLN A 27 -6.826 0.088 9.767 1.00 0.00 C ATOM 458 O GLN A 27 -6.912 -0.829 10.584 1.00 0.00 O ATOM 459 CB GLN A 27 -6.586 -1.666 7.909 1.00 0.00 C ATOM 460 CG GLN A 27 -6.571 -1.879 6.387 1.00 0.00 C ATOM 461 CD GLN A 27 -6.712 -3.351 5.998 1.00 0.00 C ATOM 462 OE1 GLN A 27 -7.755 -3.766 5.495 1.00 0.00 O ATOM 463 NE2 GLN A 27 -5.662 -4.146 6.222 1.00 0.00 N ATOM 0 H GLN A 27 -4.807 0.039 7.517 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.700 0.159 7.840 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.661 -2.046 8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.403 -2.236 8.352 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.383 -1.308 5.936 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.640 -1.486 5.978 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.814 -3.765 6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.708 -5.134 5.974 1.00 0.00 H new ATOM 472 N LYS A 28 -6.798 1.380 10.105 1.00 0.00 N ATOM 473 CA LYS A 28 -6.903 2.016 11.417 1.00 0.00 C ATOM 474 C LYS A 28 -7.938 3.141 11.265 1.00 0.00 C ATOM 475 O LYS A 28 -8.755 3.405 12.146 1.00 0.00 O ATOM 476 CB LYS A 28 -5.544 2.551 11.904 1.00 0.00 C ATOM 477 CG LYS A 28 -4.424 1.497 11.849 1.00 0.00 C ATOM 478 CD LYS A 28 -3.089 2.088 12.331 1.00 0.00 C ATOM 479 CE LYS A 28 -1.907 1.137 12.087 1.00 0.00 C ATOM 480 NZ LYS A 28 -1.619 0.956 10.652 1.00 0.00 N ATOM 0 H LYS A 28 -6.688 2.087 9.378 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.216 1.298 12.175 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.258 3.408 11.294 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.647 2.909 12.928 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.693 0.642 12.470 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.316 1.129 10.829 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.905 3.031 11.817 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.157 2.313 13.395 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.020 1.528 12.586 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.125 0.168 12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.710 0.463 10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.375 0.392 10.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.568 1.885 10.188 1.00 0.00 H new ATOM 494 N LYS A 29 -7.865 3.769 10.089 1.00 0.00 N ATOM 495 CA LYS A 29 -8.642 4.818 9.506 1.00 0.00 C ATOM 496 C LYS A 29 -9.644 4.154 8.602 1.00 0.00 C ATOM 497 O LYS A 29 -10.433 3.325 9.060 1.00 0.00 O ATOM 498 CB LYS A 29 -7.638 5.782 8.857 1.00 0.00 C ATOM 499 CG LYS A 29 -8.301 7.077 8.347 1.00 0.00 C ATOM 500 CD LYS A 29 -7.801 7.508 6.965 1.00 0.00 C ATOM 501 CE LYS A 29 -6.459 8.256 6.982 1.00 0.00 C ATOM 502 NZ LYS A 29 -5.334 7.396 7.381 1.00 0.00 N ATOM 0 H LYS A 29 -7.133 3.490 9.436 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.232 5.427 10.191 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.864 6.036 9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.144 5.280 8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.381 6.933 8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.113 7.879 9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.703 6.624 6.335 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.554 8.147 6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.264 8.666 5.991 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.527 9.100 7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.439 7.903 7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.426 7.148 8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.341 6.528 6.809 1.00 0.00 H new ATOM 516 N LYS A 30 -9.594 4.522 7.329 1.00 0.00 N ATOM 517 CA LYS A 30 -10.554 4.093 6.346 1.00 0.00 C ATOM 518 C LYS A 30 -10.235 4.740 4.983 1.00 0.00 C ATOM 519 O LYS A 30 -11.148 5.158 4.269 1.00 0.00 O ATOM 520 CB LYS A 30 -11.952 4.485 6.868 1.00 0.00 C ATOM 521 CG LYS A 30 -12.030 5.943 7.295 1.00 0.00 C ATOM 522 CD LYS A 30 -13.416 6.385 7.786 1.00 0.00 C ATOM 523 CE LYS A 30 -14.436 6.473 6.642 1.00 0.00 C ATOM 524 NZ LYS A 30 -15.730 6.998 7.112 1.00 0.00 N ATOM 0 H LYS A 30 -8.871 5.136 6.954 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.518 3.014 6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.692 4.298 6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.212 3.848 7.714 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.304 6.116 8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.738 6.572 6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.775 5.681 8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.334 7.357 8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.046 7.117 5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.580 5.485 6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.396 7.045 6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.113 6.370 7.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.595 7.951 7.507 1.00 0.00 H new ATOM 538 N GLN A 31 -8.946 4.827 4.611 1.00 0.00 N ATOM 539 CA GLN A 31 -8.481 5.447 3.375 1.00 0.00 C ATOM 540 C GLN A 31 -6.989 5.135 3.203 1.00 0.00 C ATOM 541 O GLN A 31 -6.334 4.661 4.138 1.00 0.00 O ATOM 542 CB GLN A 31 -8.725 6.976 3.431 1.00 0.00 C ATOM 543 CG GLN A 31 -9.069 7.550 2.048 1.00 0.00 C ATOM 544 CD GLN A 31 -9.333 9.060 2.056 1.00 0.00 C ATOM 545 OE1 GLN A 31 -9.205 9.726 3.082 1.00 0.00 O ATOM 546 NE2 GLN A 31 -9.704 9.611 0.896 1.00 0.00 N ATOM 0 H GLN A 31 -8.186 4.456 5.181 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.030 5.050 2.521 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.538 7.189 4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.836 7.472 3.819 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.249 7.337 1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.950 7.038 1.661 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.801 9.030 0.063 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.890 10.612 0.844 1.00 0.00 H new ATOM 555 N CYS A 32 -6.432 5.409 2.013 1.00 0.00 N ATOM 556 CA CYS A 32 -5.036 5.148 1.750 1.00 0.00 C ATOM 557 C CYS A 32 -4.198 6.307 2.256 1.00 0.00 C ATOM 558 O CYS A 32 -4.339 7.439 1.793 1.00 0.00 O ATOM 559 CB CYS A 32 -4.786 4.949 0.256 1.00 0.00 C ATOM 560 SG CYS A 32 -3.642 3.653 -0.271 1.00 0.00 S ATOM 0 H CYS A 32 -6.941 5.812 1.226 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.754 4.232 2.270 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.748 4.751 -0.216 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.422 5.894 -0.146 1.00 0.00 H new ATOM 565 N GLU A 33 -3.356 6.011 3.241 1.00 0.00 N ATOM 566 CA GLU A 33 -2.402 6.956 3.776 1.00 0.00 C ATOM 567 C GLU A 33 -1.186 6.766 2.892 1.00 0.00 C ATOM 568 O GLU A 33 -1.033 5.777 2.183 1.00 0.00 O ATOM 569 CB GLU A 33 -2.102 6.643 5.235 1.00 0.00 C ATOM 570 CG GLU A 33 -0.938 7.313 5.954 1.00 0.00 C ATOM 571 CD GLU A 33 -1.048 8.839 5.987 1.00 0.00 C ATOM 572 OE1 GLU A 33 -1.982 9.331 6.657 1.00 0.00 O ATOM 573 OE2 GLU A 33 -0.197 9.490 5.341 1.00 0.00 O ATOM 0 H GLU A 33 -3.322 5.096 3.690 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.757 7.986 3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.004 6.872 5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.945 5.567 5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.885 6.937 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.006 7.033 5.463 1.00 0.00 H new ATOM 580 N GLY A 34 -0.294 7.727 2.960 1.00 0.00 N ATOM 581 CA GLY A 34 0.913 7.662 2.136 1.00 0.00 C ATOM 582 C GLY A 34 1.997 6.837 2.821 1.00 0.00 C ATOM 583 O GLY A 34 2.087 6.879 4.049 1.00 0.00 O ATOM 0 H GLY A 34 -0.368 8.549 3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.674 7.223 1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.283 8.670 1.946 1.00 0.00 H new ATOM 587 N PHE A 35 2.819 6.089 2.061 1.00 0.00 N ATOM 588 CA PHE A 35 3.866 5.297 2.700 1.00 0.00 C ATOM 589 C PHE A 35 5.087 5.351 1.770 1.00 0.00 C ATOM 590 O PHE A 35 4.937 5.320 0.546 1.00 0.00 O ATOM 591 CB PHE A 35 3.407 3.841 2.955 1.00 0.00 C ATOM 592 CG PHE A 35 3.483 2.744 1.899 1.00 0.00 C ATOM 593 CD1 PHE A 35 3.153 2.958 0.547 1.00 0.00 C ATOM 594 CD2 PHE A 35 3.944 1.467 2.304 1.00 0.00 C ATOM 595 CE1 PHE A 35 3.293 1.912 -0.392 1.00 0.00 C ATOM 596 CE2 PHE A 35 4.079 0.421 1.369 1.00 0.00 C ATOM 597 CZ PHE A 35 3.756 0.644 0.017 1.00 0.00 C ATOM 0 H PHE A 35 2.777 6.021 1.044 1.00 0.00 H new ATOM 0 HA PHE A 35 4.110 5.703 3.682 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.978 3.484 3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.364 3.897 3.267 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.792 3.924 0.227 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.195 1.293 3.340 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.044 2.084 -1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.429 -0.549 1.689 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.862 -0.153 -0.704 1.00 0.00 H new ATOM 607 N THR A 36 6.301 5.454 2.332 1.00 0.00 N ATOM 608 CA THR A 36 7.512 5.501 1.513 1.00 0.00 C ATOM 609 C THR A 36 7.947 4.063 1.240 1.00 0.00 C ATOM 610 O THR A 36 8.143 3.294 2.182 1.00 0.00 O ATOM 611 CB THR A 36 8.656 6.308 2.153 1.00 0.00 C ATOM 612 OG1 THR A 36 8.207 7.596 2.531 1.00 0.00 O ATOM 613 CG2 THR A 36 9.790 6.461 1.117 1.00 0.00 C ATOM 0 H THR A 36 6.465 5.505 3.337 1.00 0.00 H new ATOM 0 HA THR A 36 7.279 6.024 0.586 1.00 0.00 H new ATOM 0 HB THR A 36 9.009 5.783 3.041 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.947 8.094 2.937 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.609 7.031 1.556 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.150 5.475 0.824 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.412 6.985 0.239 1.00 0.00 H new ATOM 621 N TRP A 37 8.100 3.700 -0.043 1.00 0.00 N ATOM 622 CA TRP A 37 8.531 2.360 -0.417 1.00 0.00 C ATOM 623 C TRP A 37 10.019 2.262 -0.099 1.00 0.00 C ATOM 624 O TRP A 37 10.809 3.017 -0.664 1.00 0.00 O ATOM 625 CB TRP A 37 8.278 2.176 -1.905 1.00 0.00 C ATOM 626 CG TRP A 37 8.728 0.920 -2.572 1.00 0.00 C ATOM 627 CD1 TRP A 37 8.025 -0.229 -2.648 1.00 0.00 C ATOM 628 CD2 TRP A 37 9.941 0.704 -3.352 1.00 0.00 C ATOM 629 NE1 TRP A 37 8.618 -1.064 -3.569 1.00 0.00 N ATOM 630 CE2 TRP A 37 9.759 -0.492 -4.104 1.00 0.00 C ATOM 631 CE3 TRP A 37 11.118 1.455 -3.602 1.00 0.00 C ATOM 632 CZ2 TRP A 37 10.630 -0.842 -5.152 1.00 0.00 C ATOM 633 CZ3 TRP A 37 12.064 1.037 -4.564 1.00 0.00 C ATOM 634 CH2 TRP A 37 11.797 -0.086 -5.372 1.00 0.00 C ATOM 0 H TRP A 37 7.930 4.322 -0.833 1.00 0.00 H new ATOM 0 HA TRP A 37 7.989 1.585 0.125 1.00 0.00 H new ATOM 0 HB2 TRP A 37 7.204 2.267 -2.068 1.00 0.00 H new ATOM 0 HB3 TRP A 37 8.751 3.010 -2.423 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.137 -0.458 -2.077 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.262 -1.985 -3.824 1.00 0.00 H new ATOM 0 HE3 TRP A 37 11.294 2.364 -3.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 10.404 -1.687 -5.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.992 1.578 -4.680 1.00 0.00 H new ATOM 0 HH2 TRP A 37 12.485 -0.366 -6.157 1.00 0.00 H new ATOM 645 N SER A 38 10.389 1.354 0.811 1.00 0.00 N ATOM 646 CA SER A 38 11.771 1.157 1.223 1.00 0.00 C ATOM 647 C SER A 38 12.538 0.237 0.255 1.00 0.00 C ATOM 648 O SER A 38 13.735 0.055 0.461 1.00 0.00 O ATOM 649 CB SER A 38 11.835 0.627 2.660 1.00 0.00 C ATOM 650 OG SER A 38 11.177 1.496 3.558 1.00 0.00 O ATOM 0 H SER A 38 9.729 0.735 1.281 1.00 0.00 H new ATOM 0 HA SER A 38 12.264 2.129 1.192 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.377 -0.361 2.706 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.876 0.510 2.961 1.00 0.00 H new ATOM 0 HG SER A 38 11.233 1.132 4.466 1.00 0.00 H new ATOM 656 N GLY A 39 11.878 -0.357 -0.761 1.00 0.00 N ATOM 657 CA GLY A 39 12.478 -1.244 -1.752 1.00 0.00 C ATOM 658 C GLY A 39 11.833 -2.638 -1.829 1.00 0.00 C ATOM 659 O GLY A 39 10.618 -2.774 -1.960 1.00 0.00 O ATOM 0 H GLY A 39 10.878 -0.221 -0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.412 -0.772 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.538 -1.359 -1.525 1.00 0.00 H new ATOM 663 N CYS A 40 12.688 -3.667 -1.770 1.00 0.00 N ATOM 664 CA CYS A 40 12.425 -5.101 -1.845 1.00 0.00 C ATOM 665 C CYS A 40 11.811 -5.590 -0.520 1.00 0.00 C ATOM 666 O CYS A 40 12.495 -5.550 0.503 1.00 0.00 O ATOM 667 CB CYS A 40 13.754 -5.860 -2.142 1.00 0.00 C ATOM 668 SG CYS A 40 15.072 -5.008 -3.091 1.00 0.00 S ATOM 0 H CYS A 40 13.686 -3.491 -1.656 1.00 0.00 H new ATOM 0 HA CYS A 40 11.717 -5.300 -2.650 1.00 0.00 H new ATOM 0 HB2 CYS A 40 14.181 -6.163 -1.186 1.00 0.00 H new ATOM 0 HB3 CYS A 40 13.498 -6.773 -2.680 1.00 0.00 H new ATOM 673 N GLY A 41 10.548 -6.060 -0.529 1.00 0.00 N ATOM 674 CA GLY A 41 9.845 -6.544 0.666 1.00 0.00 C ATOM 675 C GLY A 41 8.995 -7.803 0.433 1.00 0.00 C ATOM 676 O GLY A 41 9.144 -8.494 -0.574 1.00 0.00 O ATOM 0 H GLY A 41 9.985 -6.113 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.578 -6.754 1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.201 -5.749 1.041 1.00 0.00 H new ATOM 680 N GLY A 42 8.103 -8.087 1.399 1.00 0.00 N ATOM 681 CA GLY A 42 7.203 -9.236 1.444 1.00 0.00 C ATOM 682 C GLY A 42 6.086 -9.229 0.392 1.00 0.00 C ATOM 683 O GLY A 42 6.355 -9.492 -0.780 1.00 0.00 O ATOM 0 H GLY A 42 7.991 -7.481 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.792 -10.145 1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.749 -9.284 2.434 1.00 0.00 H new ATOM 687 N ASN A 43 4.836 -8.960 0.812 1.00 0.00 N ATOM 688 CA ASN A 43 3.651 -8.944 -0.052 1.00 0.00 C ATOM 689 C ASN A 43 3.603 -7.650 -0.881 1.00 0.00 C ATOM 690 O ASN A 43 4.533 -7.397 -1.648 1.00 0.00 O ATOM 691 CB ASN A 43 2.366 -9.206 0.767 1.00 0.00 C ATOM 692 CG ASN A 43 2.473 -10.408 1.712 1.00 0.00 C ATOM 693 OD1 ASN A 43 2.506 -10.242 2.930 1.00 0.00 O ATOM 694 ND2 ASN A 43 2.527 -11.620 1.153 1.00 0.00 N ATOM 0 H ASN A 43 4.622 -8.743 1.785 1.00 0.00 H new ATOM 0 HA ASN A 43 3.718 -9.762 -0.769 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.130 -8.316 1.350 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.535 -9.367 0.081 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.598 -12.450 1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.497 -11.715 0.138 1.00 0.00 H new ATOM 701 N SER A 44 2.539 -6.838 -0.754 1.00 0.00 N ATOM 702 CA SER A 44 2.380 -5.607 -1.522 1.00 0.00 C ATOM 703 C SER A 44 1.647 -4.486 -0.755 1.00 0.00 C ATOM 704 O SER A 44 2.254 -3.806 0.073 1.00 0.00 O ATOM 705 CB SER A 44 1.689 -5.966 -2.861 1.00 0.00 C ATOM 706 OG SER A 44 2.568 -6.658 -3.724 1.00 0.00 O ATOM 0 H SER A 44 1.768 -7.024 -0.113 1.00 0.00 H new ATOM 0 HA SER A 44 3.366 -5.184 -1.715 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.810 -6.580 -2.666 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.340 -5.055 -3.348 1.00 0.00 H new ATOM 0 HG SER A 44 3.394 -6.876 -3.244 1.00 0.00 H new ATOM 712 N ASN A 45 0.353 -4.292 -1.059 1.00 0.00 N ATOM 713 CA ASN A 45 -0.562 -3.243 -0.578 1.00 0.00 C ATOM 714 C ASN A 45 0.004 -1.851 -0.944 1.00 0.00 C ATOM 715 O ASN A 45 -0.177 -0.864 -0.234 1.00 0.00 O ATOM 716 CB ASN A 45 -0.937 -3.459 0.898 1.00 0.00 C ATOM 717 CG ASN A 45 -1.999 -2.486 1.432 1.00 0.00 C ATOM 718 OD1 ASN A 45 -2.916 -2.094 0.712 1.00 0.00 O ATOM 719 ND2 ASN A 45 -1.881 -2.090 2.703 1.00 0.00 N ATOM 0 H ASN A 45 -0.122 -4.922 -1.706 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.522 -3.304 -1.090 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.301 -4.479 1.022 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.037 -3.365 1.506 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.563 -1.445 3.102 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.109 -2.433 3.275 1.00 0.00 H new ATOM 726 N ARG A 46 0.723 -1.825 -2.076 1.00 0.00 N ATOM 727 CA ARG A 46 1.387 -0.725 -2.742 1.00 0.00 C ATOM 728 C ARG A 46 0.415 -0.108 -3.750 1.00 0.00 C ATOM 729 O ARG A 46 0.103 -0.746 -4.757 1.00 0.00 O ATOM 730 CB ARG A 46 2.631 -1.321 -3.409 1.00 0.00 C ATOM 731 CG ARG A 46 3.592 -0.276 -3.989 1.00 0.00 C ATOM 732 CD ARG A 46 4.705 -1.029 -4.727 1.00 0.00 C ATOM 733 NE ARG A 46 5.766 -0.136 -5.208 1.00 0.00 N ATOM 734 CZ ARG A 46 6.756 -0.502 -6.045 1.00 0.00 C ATOM 735 NH1 ARG A 46 6.805 -1.732 -6.580 1.00 0.00 N ATOM 736 NH2 ARG A 46 7.723 0.375 -6.337 1.00 0.00 N ATOM 0 H ARG A 46 0.861 -2.689 -2.600 1.00 0.00 H new ATOM 0 HA ARG A 46 1.689 0.073 -2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.167 -1.926 -2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.315 -1.992 -4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.065 0.392 -4.670 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.010 0.343 -3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.137 -1.775 -4.061 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.276 -1.567 -5.573 1.00 0.00 H new ATOM 0 HE ARG A 46 5.753 0.831 -4.885 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.081 -2.415 -6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.566 -1.984 -7.211 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.705 1.309 -5.927 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.478 0.110 -6.969 1.00 0.00 H new ATOM 750 N PHE A 47 -0.056 1.119 -3.502 1.00 0.00 N ATOM 751 CA PHE A 47 -0.998 1.828 -4.334 1.00 0.00 C ATOM 752 C PHE A 47 -0.465 3.233 -4.643 1.00 0.00 C ATOM 753 O PHE A 47 -0.082 3.968 -3.736 1.00 0.00 O ATOM 754 CB PHE A 47 -2.302 1.843 -3.542 1.00 0.00 C ATOM 755 CG PHE A 47 -3.067 0.529 -3.642 1.00 0.00 C ATOM 756 CD1 PHE A 47 -3.698 0.170 -4.856 1.00 0.00 C ATOM 757 CD2 PHE A 47 -3.117 -0.357 -2.540 1.00 0.00 C ATOM 758 CE1 PHE A 47 -4.396 -1.053 -4.958 1.00 0.00 C ATOM 759 CE2 PHE A 47 -3.800 -1.587 -2.650 1.00 0.00 C ATOM 760 CZ PHE A 47 -4.444 -1.932 -3.857 1.00 0.00 C ATOM 0 H PHE A 47 0.228 1.654 -2.681 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.156 1.357 -5.304 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.084 2.053 -2.495 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.933 2.654 -3.905 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.646 0.833 -5.707 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.631 -0.091 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.893 -1.315 -5.880 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.830 -2.265 -1.810 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.974 -2.870 -3.937 1.00 0.00 H new ATOM 770 N LYS A 48 -0.460 3.599 -5.932 1.00 0.00 N ATOM 771 CA LYS A 48 0.011 4.848 -6.494 1.00 0.00 C ATOM 772 C LYS A 48 -0.838 6.050 -6.100 1.00 0.00 C ATOM 773 O LYS A 48 -0.283 7.077 -5.715 1.00 0.00 O ATOM 774 CB LYS A 48 -0.001 4.656 -8.008 1.00 0.00 C ATOM 775 CG LYS A 48 1.032 3.590 -8.399 1.00 0.00 C ATOM 776 CD LYS A 48 1.136 3.442 -9.912 1.00 0.00 C ATOM 777 CE LYS A 48 -0.147 2.965 -10.613 1.00 0.00 C ATOM 778 NZ LYS A 48 -0.633 1.679 -10.084 1.00 0.00 N ATOM 0 H LYS A 48 -0.815 2.973 -6.655 1.00 0.00 H new ATOM 0 HA LYS A 48 1.006 5.071 -6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.994 4.353 -8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.227 5.598 -8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.006 3.859 -7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.754 2.633 -7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.427 4.403 -10.336 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.937 2.739 -10.138 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.924 3.720 -10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.042 2.867 -11.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.469 1.376 -10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.115 0.962 -10.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.888 1.790 -9.082 1.00 0.00 H new ATOM 792 N THR A 49 -2.163 5.941 -6.258 1.00 0.00 N ATOM 793 CA THR A 49 -3.109 6.999 -5.899 1.00 0.00 C ATOM 794 C THR A 49 -4.129 6.447 -4.895 1.00 0.00 C ATOM 795 O THR A 49 -4.393 5.246 -4.838 1.00 0.00 O ATOM 796 CB THR A 49 -3.765 7.656 -7.140 1.00 0.00 C ATOM 797 OG1 THR A 49 -4.841 6.888 -7.638 1.00 0.00 O ATOM 798 CG2 THR A 49 -2.769 7.873 -8.290 1.00 0.00 C ATOM 0 H THR A 49 -2.610 5.108 -6.642 1.00 0.00 H new ATOM 0 HA THR A 49 -2.564 7.811 -5.417 1.00 0.00 H new ATOM 0 HB THR A 49 -4.127 8.622 -6.789 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.229 7.336 -8.419 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.282 8.336 -9.133 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.962 8.524 -7.954 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.356 6.913 -8.599 1.00 0.00 H new ATOM 806 N ILE A 50 -4.699 7.354 -4.097 1.00 0.00 N ATOM 807 CA ILE A 50 -5.689 7.080 -3.058 1.00 0.00 C ATOM 808 C ILE A 50 -7.025 6.546 -3.609 1.00 0.00 C ATOM 809 O ILE A 50 -7.769 5.871 -2.896 1.00 0.00 O ATOM 810 CB ILE A 50 -5.849 8.379 -2.229 1.00 0.00 C ATOM 811 CG1 ILE A 50 -6.642 8.161 -0.925 1.00 0.00 C ATOM 812 CG2 ILE A 50 -6.510 9.497 -3.057 1.00 0.00 C ATOM 813 CD1 ILE A 50 -6.403 9.313 0.065 1.00 0.00 C ATOM 0 H ILE A 50 -4.470 8.346 -4.163 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.339 6.268 -2.420 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.839 8.684 -1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.706 8.085 -1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.345 7.217 -0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.607 10.394 -2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.894 9.717 -3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.498 9.172 -3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.974 9.134 0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.342 9.370 0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.724 10.252 -0.386 1.00 0.00 H new ATOM 825 N GLU A 51 -7.301 6.798 -4.894 1.00 0.00 N ATOM 826 CA GLU A 51 -8.522 6.394 -5.584 1.00 0.00 C ATOM 827 C GLU A 51 -8.387 4.936 -5.969 1.00 0.00 C ATOM 828 O GLU A 51 -9.232 4.106 -5.661 1.00 0.00 O ATOM 829 CB GLU A 51 -8.748 7.297 -6.807 1.00 0.00 C ATOM 830 CG GLU A 51 -8.750 8.779 -6.408 1.00 0.00 C ATOM 831 CD GLU A 51 -9.361 9.659 -7.499 1.00 0.00 C ATOM 832 OE1 GLU A 51 -8.616 9.997 -8.445 1.00 0.00 O ATOM 833 OE2 GLU A 51 -10.565 9.974 -7.374 1.00 0.00 O ATOM 0 H GLU A 51 -6.656 7.306 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.393 6.504 -4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.966 7.117 -7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.697 7.043 -7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.311 8.906 -5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.729 9.103 -6.209 1.00 0.00 H new ATOM 840 N GLU A 52 -7.278 4.684 -6.648 1.00 0.00 N ATOM 841 CA GLU A 52 -6.763 3.409 -7.114 1.00 0.00 C ATOM 842 C GLU A 52 -6.641 2.435 -5.937 1.00 0.00 C ATOM 843 O GLU A 52 -6.814 1.228 -6.102 1.00 0.00 O ATOM 844 CB GLU A 52 -5.394 3.705 -7.751 1.00 0.00 C ATOM 845 CG GLU A 52 -5.521 4.196 -9.201 1.00 0.00 C ATOM 846 CD GLU A 52 -6.067 3.108 -10.130 1.00 0.00 C ATOM 847 OE1 GLU A 52 -5.290 2.176 -10.433 1.00 0.00 O ATOM 848 OE2 GLU A 52 -7.251 3.221 -10.517 1.00 0.00 O ATOM 0 H GLU A 52 -6.654 5.447 -6.912 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.426 2.940 -7.842 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.875 4.459 -7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.782 2.803 -7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.179 5.064 -9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.545 4.523 -9.560 1.00 0.00 H new ATOM 855 N CYS A 53 -6.328 2.973 -4.753 1.00 0.00 N ATOM 856 CA CYS A 53 -6.239 2.237 -3.511 1.00 0.00 C ATOM 857 C CYS A 53 -7.668 1.894 -3.116 1.00 0.00 C ATOM 858 O CYS A 53 -8.002 0.716 -3.004 1.00 0.00 O ATOM 859 CB CYS A 53 -5.569 3.103 -2.450 1.00 0.00 C ATOM 860 SG CYS A 53 -4.890 2.227 -1.017 1.00 0.00 S ATOM 0 H CYS A 53 -6.125 3.966 -4.642 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.642 1.331 -3.614 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.762 3.663 -2.923 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.296 3.832 -2.093 1.00 0.00 H new ATOM 865 N ARG A 54 -8.513 2.933 -2.964 1.00 0.00 N ATOM 866 CA ARG A 54 -9.911 2.726 -2.588 1.00 0.00 C ATOM 867 C ARG A 54 -10.723 1.886 -3.589 1.00 0.00 C ATOM 868 O ARG A 54 -11.769 1.372 -3.221 1.00 0.00 O ATOM 869 CB ARG A 54 -10.636 4.054 -2.346 1.00 0.00 C ATOM 870 CG ARG A 54 -10.259 4.749 -1.028 1.00 0.00 C ATOM 871 CD ARG A 54 -11.345 5.767 -0.651 1.00 0.00 C ATOM 872 NE ARG A 54 -11.114 7.068 -1.299 1.00 0.00 N ATOM 873 CZ ARG A 54 -11.521 7.452 -2.523 1.00 0.00 C ATOM 874 NH1 ARG A 54 -12.300 6.671 -3.286 1.00 0.00 N ATOM 875 NH2 ARG A 54 -11.136 8.647 -2.992 1.00 0.00 N ATOM 0 H ARG A 54 -8.249 3.909 -3.096 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.855 2.155 -1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.419 4.729 -3.174 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.711 3.874 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.149 4.010 -0.235 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.297 5.251 -1.132 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.322 5.383 -0.943 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.364 5.897 0.431 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.587 7.755 -0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.600 5.759 -2.942 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.592 6.989 -4.210 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.543 9.251 -2.423 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.436 8.952 -3.918 1.00 0.00 H new ATOM 889 N ARG A 55 -10.291 1.747 -4.840 1.00 0.00 N ATOM 890 CA ARG A 55 -10.969 0.964 -5.871 1.00 0.00 C ATOM 891 C ARG A 55 -11.017 -0.539 -5.559 1.00 0.00 C ATOM 892 O ARG A 55 -11.963 -1.230 -5.932 1.00 0.00 O ATOM 893 CB ARG A 55 -10.196 1.160 -7.179 1.00 0.00 C ATOM 894 CG ARG A 55 -10.651 2.419 -7.931 1.00 0.00 C ATOM 895 CD ARG A 55 -11.720 2.129 -8.995 1.00 0.00 C ATOM 896 NE ARG A 55 -12.980 1.657 -8.394 1.00 0.00 N ATOM 897 CZ ARG A 55 -13.417 0.387 -8.301 1.00 0.00 C ATOM 898 NH1 ARG A 55 -12.746 -0.636 -8.854 1.00 0.00 N ATOM 899 NH2 ARG A 55 -14.551 0.138 -7.631 1.00 0.00 N ATOM 0 H ARG A 55 -9.435 2.189 -5.175 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.001 1.311 -5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.130 1.232 -6.963 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.334 0.287 -7.817 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.045 3.141 -7.215 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.788 2.882 -8.408 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.910 3.033 -9.574 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.346 1.378 -9.690 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.591 2.375 -8.004 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.879 -0.462 -9.362 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.103 -1.587 -8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.068 0.905 -7.201 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.896 -0.818 -7.551 1.00 0.00 H new ATOM 913 N THR A 56 -9.962 -1.027 -4.907 1.00 0.00 N ATOM 914 CA THR A 56 -9.738 -2.417 -4.527 1.00 0.00 C ATOM 915 C THR A 56 -9.930 -2.622 -3.018 1.00 0.00 C ATOM 916 O THR A 56 -10.367 -3.689 -2.589 1.00 0.00 O ATOM 917 CB THR A 56 -8.307 -2.820 -4.958 1.00 0.00 C ATOM 918 OG1 THR A 56 -8.112 -2.529 -6.330 1.00 0.00 O ATOM 919 CG2 THR A 56 -8.029 -4.320 -4.758 1.00 0.00 C ATOM 0 H THR A 56 -9.195 -0.423 -4.613 1.00 0.00 H new ATOM 0 HA THR A 56 -10.469 -3.050 -5.030 1.00 0.00 H new ATOM 0 HB THR A 56 -7.626 -2.248 -4.328 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.204 -2.786 -6.593 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.012 -4.547 -5.076 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.145 -4.574 -3.704 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.733 -4.903 -5.351 1.00 0.00 H new ATOM 927 N CYS A 57 -9.602 -1.613 -2.202 1.00 0.00 N ATOM 928 CA CYS A 57 -9.672 -1.644 -0.763 1.00 0.00 C ATOM 929 C CYS A 57 -11.000 -1.162 -0.193 1.00 0.00 C ATOM 930 O CYS A 57 -11.361 -1.564 0.914 1.00 0.00 O ATOM 931 CB CYS A 57 -8.515 -0.769 -0.269 1.00 0.00 C ATOM 932 SG CYS A 57 -6.817 -1.265 -0.719 1.00 0.00 S ATOM 0 H CYS A 57 -9.267 -0.718 -2.558 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.595 -2.676 -0.420 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.678 0.242 -0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.572 -0.721 0.818 1.00 0.00 H new ATOM 937 N ILE A 58 -11.710 -0.314 -0.943 1.00 0.00 N ATOM 938 CA ILE A 58 -12.996 0.271 -0.518 1.00 0.00 C ATOM 939 C ILE A 58 -14.143 0.075 -1.527 1.00 0.00 C ATOM 940 O ILE A 58 -15.313 0.200 -1.170 1.00 0.00 O ATOM 941 CB ILE A 58 -12.797 1.752 -0.117 1.00 0.00 C ATOM 942 CG1 ILE A 58 -11.553 1.875 0.802 1.00 0.00 C ATOM 943 CG2 ILE A 58 -14.046 2.307 0.599 1.00 0.00 C ATOM 944 CD1 ILE A 58 -11.556 3.006 1.839 1.00 0.00 C ATOM 0 H ILE A 58 -11.411 -0.009 -1.869 1.00 0.00 H new ATOM 0 HA ILE A 58 -13.324 -0.285 0.360 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.642 2.340 -1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -11.430 0.931 1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.676 2.001 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -13.877 3.349 0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.907 2.239 -0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.237 1.725 1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.629 2.976 2.412 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.637 3.966 1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.404 2.880 2.513 1.00 0.00 H new ATOM 956 N ARG A 59 -13.812 -0.283 -2.769 1.00 0.00 N ATOM 957 CA ARG A 59 -14.709 -0.474 -3.897 1.00 0.00 C ATOM 958 C ARG A 59 -15.391 0.866 -4.209 1.00 0.00 C ATOM 959 O ARG A 59 -16.605 1.029 -4.086 1.00 0.00 O ATOM 960 CB ARG A 59 -15.698 -1.613 -3.644 1.00 0.00 C ATOM 961 CG ARG A 59 -16.207 -2.074 -5.014 1.00 0.00 C ATOM 962 CD ARG A 59 -17.511 -2.838 -4.843 1.00 0.00 C ATOM 963 NE ARG A 59 -17.928 -3.485 -6.096 1.00 0.00 N ATOM 964 CZ ARG A 59 -18.899 -4.410 -6.211 1.00 0.00 C ATOM 965 NH1 ARG A 59 -19.593 -4.831 -5.142 1.00 0.00 N ATOM 966 NH2 ARG A 59 -19.182 -4.921 -7.418 1.00 0.00 N ATOM 0 H ARG A 59 -12.840 -0.458 -3.025 1.00 0.00 H new ATOM 0 HA ARG A 59 -14.144 -0.783 -4.777 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.214 -2.434 -3.116 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.524 -1.275 -3.019 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.361 -1.213 -5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.463 -2.708 -5.495 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.392 -3.593 -4.065 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.292 -2.155 -4.508 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.441 -3.210 -6.949 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.389 -4.449 -4.219 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.325 -5.533 -5.253 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.663 -4.608 -8.239 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.916 -5.622 -7.515 1.00 0.00 H new ATOM 980 N LYS A 60 -14.552 1.826 -4.604 1.00 0.00 N ATOM 981 CA LYS A 60 -14.895 3.200 -4.945 1.00 0.00 C ATOM 982 C LYS A 60 -13.762 3.791 -5.795 1.00 0.00 C ATOM 983 O LYS A 60 -12.660 3.984 -5.235 1.00 0.00 O ATOM 984 CB LYS A 60 -15.118 4.003 -3.647 1.00 0.00 C ATOM 985 CG LYS A 60 -15.503 5.466 -3.913 1.00 0.00 C ATOM 986 CD LYS A 60 -15.685 6.223 -2.590 1.00 0.00 C ATOM 987 CE LYS A 60 -15.950 7.712 -2.843 1.00 0.00 C ATOM 988 NZ LYS A 60 -16.113 8.456 -1.583 1.00 0.00 N ATOM 989 OXT LYS A 60 -14.016 4.043 -6.994 1.00 0.00 O ATOM 0 H LYS A 60 -13.552 1.649 -4.699 1.00 0.00 H new ATOM 0 HA LYS A 60 -15.817 3.242 -5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -15.903 3.526 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.209 3.974 -3.046 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.730 5.948 -4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -16.426 5.506 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.515 5.792 -2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.793 6.108 -1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.124 8.137 -3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.848 7.824 -3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.291 9.459 -1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.917 8.066 -1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.247 8.369 -1.014 1.00 0.00 H new