USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 821 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 29 LYS NZ :NH3+ -120:sc= 0.288! (180deg=-2.08!) USER MOD Set 1.2: A 74 CYS SG : rot 33:sc= -0.69! USER MOD Single : A 1 SER N :NH3+ -179:sc= -0.125 (180deg=-0.127) USER MOD Single : A 1 SER OG : rot 180:sc=2.51e-05 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot -110:sc= -1.52 USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= -0.0148 (180deg=-0.155) USER MOD Single : A 10 MET CE :methyl 158:sc= -0.32 (180deg=-1) USER MOD Single : A 11 SER OG : rot -75:sc= 1.17 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0377 USER MOD Single : A 15 LYS NZ :NH3+ 147:sc= 1.25 (180deg=1.1) USER MOD Single : A 17 GLN : amide:sc= 0.754 K(o=0.75,f=-6.5!) USER MOD Single : A 19 SER OG : rot 180:sc= -2.59! USER MOD Single : A 23 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.5!) USER MOD Single : A 24 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0156) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.59 K(o=-0.59,f=-3!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00237 USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0384) USER MOD Single : A 46 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.48) USER MOD Single : A 47 SER OG : rot 89:sc= 0.49 USER MOD Single : A 48 ASN : amide:sc=-0.00736 X(o=-0.0074,f=-0.39) USER MOD Single : A 58 THR OG1 : rot -14:sc= -0.827! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 1.16 (180deg=1.16) USER MOD Single : A 62 SER OG : rot 63:sc= 1.14 USER MOD Single : A 63 THR OG1 : rot -147:sc= 0.0586 USER MOD Single : A 70 TYR OH : rot 165:sc= 0.64 USER MOD Single : A 72 THR OG1 : rot 170:sc= 0.322 USER MOD Single : A 73 SER OG : rot -55:sc= 1.29 USER MOD Single : A 77 LYS NZ :NH3+ 162:sc= -0.0618 (180deg=-0.397) USER MOD Single : A 78 LYS NZ :NH3+ -166:sc=-0.00349 (180deg=-0.215) USER MOD Single : A 80 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0602) USER MOD Single : A 82 GLN :FLIP amide:sc=-0.00785 F(o=-1.1,f=-0.0078) USER MOD Single : B 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 205 LYS NZ :NH3+ -165:sc= -0.092! (180deg=-0.996!) USER MOD Single : B 207 THR OG1 : rot 180:sc= 0.0535 USER MOD Single : B 208 LYS NZ :NH3+ -176:sc= 1.32 (180deg=1.27) USER MOD Single : B 209 THR OG1 : rot 180:sc= 0 USER MOD Single : B 211 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : B 212 ASN : amide:sc= 0.012 X(o=0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.221 -6.423 -14.941 1.00 0.00 N ATOM 2 CA SER A 1 -14.886 -5.830 -14.722 1.00 0.00 C ATOM 3 C SER A 1 -14.935 -4.727 -13.664 1.00 0.00 C ATOM 4 O SER A 1 -13.898 -4.254 -13.200 1.00 0.00 O ATOM 5 CB SER A 1 -14.372 -5.254 -16.039 1.00 0.00 C ATOM 6 OG SER A 1 -14.513 -6.198 -17.093 1.00 0.00 O ATOM 0 H1 SER A 1 -16.153 -7.179 -15.651 1.00 0.00 H new ATOM 0 H2 SER A 1 -16.576 -6.819 -14.047 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.876 -5.689 -15.279 1.00 0.00 H new ATOM 0 HA SER A 1 -14.215 -6.611 -14.365 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.922 -4.345 -16.283 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.324 -4.974 -15.934 1.00 0.00 H new ATOM 0 HG SER A 1 -14.179 -5.808 -17.928 1.00 0.00 H new ATOM 14 N GLU A 2 -16.141 -4.332 -13.265 1.00 0.00 N ATOM 15 CA GLU A 2 -16.309 -3.173 -12.395 1.00 0.00 C ATOM 16 C GLU A 2 -16.272 -3.558 -10.918 1.00 0.00 C ATOM 17 O GLU A 2 -16.131 -2.697 -10.053 1.00 0.00 O ATOM 18 CB GLU A 2 -17.631 -2.473 -12.712 1.00 0.00 C ATOM 19 CG GLU A 2 -18.854 -3.294 -12.337 1.00 0.00 C ATOM 20 CD GLU A 2 -20.153 -2.607 -12.692 1.00 0.00 C ATOM 21 OE1 GLU A 2 -20.671 -1.831 -11.865 1.00 0.00 O ATOM 22 OE2 GLU A 2 -20.673 -2.849 -13.801 1.00 0.00 O ATOM 0 H GLU A 2 -17.011 -4.794 -13.529 1.00 0.00 H new ATOM 0 HA GLU A 2 -15.476 -2.496 -12.583 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.665 -1.521 -12.183 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.667 -2.247 -13.778 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -18.808 -4.258 -12.844 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -18.836 -3.496 -11.266 1.00 0.00 H new ATOM 29 N GLU A 3 -16.378 -4.852 -10.637 1.00 0.00 N ATOM 30 CA GLU A 3 -16.502 -5.339 -9.262 1.00 0.00 C ATOM 31 C GLU A 3 -15.278 -4.999 -8.416 1.00 0.00 C ATOM 32 O GLU A 3 -15.365 -4.911 -7.191 1.00 0.00 O ATOM 33 CB GLU A 3 -16.719 -6.849 -9.259 1.00 0.00 C ATOM 34 CG GLU A 3 -17.963 -7.285 -10.010 1.00 0.00 C ATOM 35 CD GLU A 3 -18.060 -8.786 -10.125 1.00 0.00 C ATOM 36 OE1 GLU A 3 -17.476 -9.355 -11.072 1.00 0.00 O ATOM 37 OE2 GLU A 3 -18.710 -9.409 -9.263 1.00 0.00 O ATOM 0 H GLU A 3 -16.381 -5.587 -11.344 1.00 0.00 H new ATOM 0 HA GLU A 3 -17.362 -4.837 -8.819 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.849 -7.334 -9.702 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.787 -7.196 -8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.847 -6.903 -9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.957 -6.845 -11.007 1.00 0.00 H new ATOM 44 N GLU A 4 -14.140 -4.808 -9.067 1.00 0.00 N ATOM 45 CA GLU A 4 -12.905 -4.510 -8.348 1.00 0.00 C ATOM 46 C GLU A 4 -12.815 -3.025 -8.006 1.00 0.00 C ATOM 47 O GLU A 4 -12.271 -2.657 -6.966 1.00 0.00 O ATOM 48 CB GLU A 4 -11.679 -4.955 -9.155 1.00 0.00 C ATOM 49 CG GLU A 4 -11.581 -4.311 -10.527 1.00 0.00 C ATOM 50 CD GLU A 4 -10.488 -4.926 -11.365 1.00 0.00 C ATOM 51 OE1 GLU A 4 -10.743 -5.968 -12.005 1.00 0.00 O ATOM 52 OE2 GLU A 4 -9.365 -4.378 -11.384 1.00 0.00 O ATOM 0 H GLU A 4 -14.043 -4.853 -10.081 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.919 -5.072 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.778 -4.720 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.707 -6.038 -9.274 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.535 -4.413 -11.044 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.393 -3.243 -10.413 1.00 0.00 H new ATOM 59 N ASP A 5 -13.364 -2.175 -8.867 1.00 0.00 N ATOM 60 CA ASP A 5 -13.365 -0.736 -8.614 1.00 0.00 C ATOM 61 C ASP A 5 -14.574 -0.356 -7.763 1.00 0.00 C ATOM 62 O ASP A 5 -14.632 0.735 -7.196 1.00 0.00 O ATOM 63 CB ASP A 5 -13.342 0.073 -9.923 1.00 0.00 C ATOM 64 CG ASP A 5 -11.994 0.017 -10.615 1.00 0.00 C ATOM 65 OD1 ASP A 5 -11.088 0.790 -10.221 1.00 0.00 O ATOM 66 OD2 ASP A 5 -11.836 -0.776 -11.568 1.00 0.00 O ATOM 0 H ASP A 5 -13.811 -2.453 -9.740 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.455 -0.489 -8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.109 -0.309 -10.596 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.595 1.112 -9.709 1.00 0.00 H new ATOM 71 N LYS A 6 -15.532 -1.272 -7.661 1.00 0.00 N ATOM 72 CA LYS A 6 -16.713 -1.054 -6.843 1.00 0.00 C ATOM 73 C LYS A 6 -16.586 -1.869 -5.559 1.00 0.00 C ATOM 74 O LYS A 6 -17.572 -2.308 -4.967 1.00 0.00 O ATOM 75 CB LYS A 6 -17.971 -1.452 -7.620 1.00 0.00 C ATOM 76 CG LYS A 6 -19.266 -0.908 -7.027 1.00 0.00 C ATOM 77 CD LYS A 6 -19.328 0.607 -7.132 1.00 0.00 C ATOM 78 CE LYS A 6 -20.637 1.147 -6.586 1.00 0.00 C ATOM 79 NZ LYS A 6 -20.713 2.628 -6.685 1.00 0.00 N ATOM 0 H LYS A 6 -15.510 -2.174 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.796 0.002 -6.587 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.878 -1.099 -8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.031 -2.540 -7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -20.118 -1.346 -7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -19.343 -1.206 -5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -18.495 1.046 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.216 0.906 -8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -21.469 0.704 -7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.746 0.847 -5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -21.623 2.955 -6.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -19.935 3.053 -6.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.635 2.914 -7.682 1.00 0.00 H new ATOM 93 N CYS A 7 -15.344 -2.067 -5.146 1.00 0.00 N ATOM 94 CA CYS A 7 -15.035 -2.868 -3.971 1.00 0.00 C ATOM 95 C CYS A 7 -15.477 -2.147 -2.706 1.00 0.00 C ATOM 96 O CYS A 7 -15.512 -0.917 -2.659 1.00 0.00 O ATOM 97 CB CYS A 7 -13.531 -3.151 -3.914 1.00 0.00 C ATOM 98 SG CYS A 7 -13.065 -4.476 -2.774 1.00 0.00 S ATOM 0 H CYS A 7 -14.525 -1.679 -5.613 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.574 -3.813 -4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.184 -3.410 -4.914 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.012 -2.238 -3.623 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.436 -3.970 -1.755 1.00 0.00 H new ATOM 104 N LYS A 8 -15.832 -2.918 -1.691 1.00 0.00 N ATOM 105 CA LYS A 8 -16.243 -2.359 -0.416 1.00 0.00 C ATOM 106 C LYS A 8 -15.019 -1.948 0.399 1.00 0.00 C ATOM 107 O LYS A 8 -13.988 -2.626 0.359 1.00 0.00 O ATOM 108 CB LYS A 8 -17.083 -3.370 0.369 1.00 0.00 C ATOM 109 CG LYS A 8 -18.552 -3.415 -0.035 1.00 0.00 C ATOM 110 CD LYS A 8 -18.735 -3.762 -1.505 1.00 0.00 C ATOM 111 CE LYS A 8 -20.203 -3.887 -1.881 1.00 0.00 C ATOM 112 NZ LYS A 8 -20.858 -5.038 -1.203 1.00 0.00 N ATOM 0 H LYS A 8 -15.843 -3.937 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.853 -1.476 -0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.652 -4.362 0.238 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.018 -3.132 1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.073 -4.151 0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.012 -2.448 0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.267 -2.993 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.224 -4.700 -1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.724 -2.967 -1.617 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.291 -4.005 -2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.788 -5.211 -1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.265 -5.886 -1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -20.980 -4.823 -0.193 1.00 0.00 H new ATOM 126 N PRO A 9 -15.109 -0.826 1.136 1.00 0.00 N ATOM 127 CA PRO A 9 -14.008 -0.343 1.970 1.00 0.00 C ATOM 128 C PRO A 9 -13.728 -1.269 3.144 1.00 0.00 C ATOM 129 O PRO A 9 -14.652 -1.811 3.753 1.00 0.00 O ATOM 130 CB PRO A 9 -14.484 1.013 2.497 1.00 0.00 C ATOM 131 CG PRO A 9 -15.729 1.345 1.745 1.00 0.00 C ATOM 132 CD PRO A 9 -16.286 0.051 1.218 1.00 0.00 C ATOM 0 HA PRO A 9 -13.083 -0.287 1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.679 0.966 3.568 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.723 1.778 2.344 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.451 1.839 2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.513 2.033 0.927 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.045 -0.359 1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.755 0.184 0.243 1.00 0.00 H new ATOM 140 N MET A 10 -12.456 -1.446 3.457 1.00 0.00 N ATOM 141 CA MET A 10 -12.064 -2.245 4.602 1.00 0.00 C ATOM 142 C MET A 10 -11.986 -1.364 5.844 1.00 0.00 C ATOM 143 O MET A 10 -11.724 -0.163 5.747 1.00 0.00 O ATOM 144 CB MET A 10 -10.731 -2.953 4.340 1.00 0.00 C ATOM 145 CG MET A 10 -9.568 -2.025 4.059 1.00 0.00 C ATOM 146 SD MET A 10 -8.039 -2.925 3.737 1.00 0.00 S ATOM 147 CE MET A 10 -8.533 -3.986 2.375 1.00 0.00 C ATOM 0 H MET A 10 -11.677 -1.046 2.933 1.00 0.00 H new ATOM 0 HA MET A 10 -12.816 -3.015 4.771 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.486 -3.569 5.205 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.853 -3.627 3.492 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.806 -1.398 3.200 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.423 -1.359 4.910 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.649 -4.301 1.820 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.048 -4.864 2.766 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.202 -3.438 1.711 1.00 0.00 H new ATOM 157 N SER A 11 -12.215 -1.970 7.001 1.00 0.00 N ATOM 158 CA SER A 11 -12.358 -1.231 8.249 1.00 0.00 C ATOM 159 C SER A 11 -11.015 -0.755 8.805 1.00 0.00 C ATOM 160 O SER A 11 -9.962 -1.036 8.230 1.00 0.00 O ATOM 161 CB SER A 11 -13.079 -2.101 9.281 1.00 0.00 C ATOM 162 OG SER A 11 -12.402 -3.333 9.473 1.00 0.00 O ATOM 0 H SER A 11 -12.306 -2.981 7.102 1.00 0.00 H new ATOM 0 HA SER A 11 -12.947 -0.339 8.037 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.145 -1.567 10.229 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.100 -2.291 8.951 1.00 0.00 H new ATOM 0 HG SER A 11 -12.572 -3.922 8.709 1.00 0.00 H new ATOM 168 N TYR A 12 -11.065 -0.053 9.933 1.00 0.00 N ATOM 169 CA TYR A 12 -9.874 0.525 10.563 1.00 0.00 C ATOM 170 C TYR A 12 -8.833 -0.559 10.859 1.00 0.00 C ATOM 171 O TYR A 12 -7.640 -0.377 10.603 1.00 0.00 O ATOM 172 CB TYR A 12 -10.294 1.253 11.851 1.00 0.00 C ATOM 173 CG TYR A 12 -9.219 2.107 12.492 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.150 1.532 13.163 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.296 3.494 12.452 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.186 2.310 13.774 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.334 4.279 13.056 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.282 3.683 13.717 1.00 0.00 C ATOM 179 OH TYR A 12 -6.325 4.463 14.331 1.00 0.00 O ATOM 0 H TYR A 12 -11.931 0.133 10.439 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.413 1.239 9.880 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.153 1.886 11.627 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.626 0.511 12.577 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.070 0.456 13.209 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.122 3.966 11.940 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.362 1.844 14.294 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.406 5.356 13.011 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.539 5.410 14.196 1.00 0.00 H new ATOM 189 N GLU A 13 -9.300 -1.699 11.363 1.00 0.00 N ATOM 190 CA GLU A 13 -8.427 -2.815 11.717 1.00 0.00 C ATOM 191 C GLU A 13 -7.677 -3.307 10.480 1.00 0.00 C ATOM 192 O GLU A 13 -6.494 -3.639 10.542 1.00 0.00 O ATOM 193 CB GLU A 13 -9.278 -3.939 12.330 1.00 0.00 C ATOM 194 CG GLU A 13 -8.504 -5.016 13.082 1.00 0.00 C ATOM 195 CD GLU A 13 -7.898 -6.066 12.177 1.00 0.00 C ATOM 196 OE1 GLU A 13 -8.660 -6.736 11.447 1.00 0.00 O ATOM 197 OE2 GLU A 13 -6.660 -6.232 12.197 1.00 0.00 O ATOM 0 H GLU A 13 -10.290 -1.875 11.537 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.687 -2.491 12.449 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.000 -3.492 13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.847 -4.416 11.532 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.710 -4.544 13.661 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.171 -5.502 13.793 1.00 0.00 H new ATOM 204 N GLU A 14 -8.368 -3.299 9.351 1.00 0.00 N ATOM 205 CA GLU A 14 -7.810 -3.803 8.103 1.00 0.00 C ATOM 206 C GLU A 14 -6.910 -2.755 7.450 1.00 0.00 C ATOM 207 O GLU A 14 -5.823 -3.076 6.971 1.00 0.00 O ATOM 208 CB GLU A 14 -8.943 -4.209 7.159 1.00 0.00 C ATOM 209 CG GLU A 14 -9.801 -5.345 7.700 1.00 0.00 C ATOM 210 CD GLU A 14 -11.124 -5.480 6.977 1.00 0.00 C ATOM 211 OE1 GLU A 14 -12.061 -4.715 7.294 1.00 0.00 O ATOM 212 OE2 GLU A 14 -11.245 -6.361 6.106 1.00 0.00 O ATOM 0 H GLU A 14 -9.322 -2.947 9.272 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.199 -4.679 8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.577 -3.343 6.970 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.518 -4.508 6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.250 -6.282 7.616 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.988 -5.179 8.761 1.00 0.00 H new ATOM 219 N LYS A 15 -7.369 -1.504 7.439 1.00 0.00 N ATOM 220 CA LYS A 15 -6.577 -0.393 6.927 1.00 0.00 C ATOM 221 C LYS A 15 -5.250 -0.273 7.675 1.00 0.00 C ATOM 222 O LYS A 15 -4.198 -0.070 7.068 1.00 0.00 O ATOM 223 CB LYS A 15 -7.364 0.915 7.041 1.00 0.00 C ATOM 224 CG LYS A 15 -8.486 1.048 6.027 1.00 0.00 C ATOM 225 CD LYS A 15 -9.442 2.177 6.391 1.00 0.00 C ATOM 226 CE LYS A 15 -9.910 2.930 5.158 1.00 0.00 C ATOM 227 NZ LYS A 15 -10.874 4.011 5.496 1.00 0.00 N ATOM 0 H LYS A 15 -8.292 -1.237 7.782 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.360 -0.589 5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.784 0.989 8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.677 1.753 6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.064 1.233 5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.037 0.109 5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.304 1.769 6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.948 2.867 7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.048 3.360 4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.377 2.232 4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.752 4.805 4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.845 3.646 5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.700 4.340 6.467 1.00 0.00 H new ATOM 241 N ARG A 16 -5.304 -0.406 8.997 1.00 0.00 N ATOM 242 CA ARG A 16 -4.097 -0.372 9.818 1.00 0.00 C ATOM 243 C ARG A 16 -3.167 -1.525 9.450 1.00 0.00 C ATOM 244 O ARG A 16 -1.958 -1.339 9.302 1.00 0.00 O ATOM 245 CB ARG A 16 -4.446 -0.458 11.305 1.00 0.00 C ATOM 246 CG ARG A 16 -3.226 -0.392 12.217 1.00 0.00 C ATOM 247 CD ARG A 16 -3.340 -1.378 13.367 1.00 0.00 C ATOM 248 NE ARG A 16 -3.394 -2.763 12.889 1.00 0.00 N ATOM 249 CZ ARG A 16 -4.443 -3.569 13.053 1.00 0.00 C ATOM 250 NH1 ARG A 16 -5.498 -3.160 13.743 1.00 0.00 N ATOM 251 NH2 ARG A 16 -4.422 -4.797 12.548 1.00 0.00 N ATOM 0 H ARG A 16 -6.168 -0.538 9.522 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.592 0.575 9.627 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.125 0.356 11.559 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.981 -1.389 11.492 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.326 -0.606 11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.119 0.619 12.611 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.488 -1.257 14.036 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.236 -1.158 13.948 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.578 -3.133 12.401 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.509 -2.225 14.151 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.299 -3.780 13.866 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.603 -5.123 12.035 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.225 -5.414 12.673 1.00 0.00 H new ATOM 265 N GLN A 17 -3.740 -2.713 9.297 1.00 0.00 N ATOM 266 CA GLN A 17 -2.970 -3.903 8.970 1.00 0.00 C ATOM 267 C GLN A 17 -2.342 -3.782 7.588 1.00 0.00 C ATOM 268 O GLN A 17 -1.305 -4.376 7.314 1.00 0.00 O ATOM 269 CB GLN A 17 -3.863 -5.141 9.041 1.00 0.00 C ATOM 270 CG GLN A 17 -3.090 -6.446 9.010 1.00 0.00 C ATOM 271 CD GLN A 17 -2.115 -6.569 10.165 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.336 -6.010 11.239 1.00 0.00 O ATOM 273 NE2 GLN A 17 -1.036 -7.302 9.958 1.00 0.00 N ATOM 0 H GLN A 17 -4.742 -2.876 9.395 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.166 -4.003 9.699 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.455 -5.100 9.955 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.563 -5.123 8.206 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.790 -7.281 9.039 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.545 -6.520 8.069 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.889 -7.749 9.053 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.350 -7.421 10.703 1.00 0.00 H new ATOM 282 N LEU A 18 -2.973 -2.992 6.737 1.00 0.00 N ATOM 283 CA LEU A 18 -2.487 -2.758 5.382 1.00 0.00 C ATOM 284 C LEU A 18 -1.257 -1.857 5.420 1.00 0.00 C ATOM 285 O LEU A 18 -0.297 -2.046 4.685 1.00 0.00 O ATOM 286 CB LEU A 18 -3.597 -2.120 4.547 1.00 0.00 C ATOM 287 CG LEU A 18 -3.760 -2.645 3.117 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.046 -2.119 2.511 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.585 -2.248 2.242 1.00 0.00 C ATOM 0 H LEU A 18 -3.835 -2.494 6.962 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.204 -3.707 4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.542 -2.259 5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.414 -1.047 4.498 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.797 -3.733 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.151 -2.499 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.893 -2.450 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.020 -1.030 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.734 -2.637 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.510 -1.161 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.666 -2.660 2.658 1.00 0.00 H new ATOM 301 N SER A 19 -1.282 -0.874 6.296 1.00 0.00 N ATOM 302 CA SER A 19 -0.104 -0.055 6.522 1.00 0.00 C ATOM 303 C SER A 19 1.038 -0.929 7.029 1.00 0.00 C ATOM 304 O SER A 19 2.214 -0.686 6.743 1.00 0.00 O ATOM 305 CB SER A 19 -0.418 1.058 7.529 1.00 0.00 C ATOM 306 OG SER A 19 0.751 1.773 7.895 1.00 0.00 O ATOM 0 H SER A 19 -2.095 -0.623 6.859 1.00 0.00 H new ATOM 0 HA SER A 19 0.197 0.409 5.582 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.146 1.745 7.098 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.875 0.626 8.419 1.00 0.00 H new ATOM 0 HG SER A 19 0.517 2.476 8.536 1.00 0.00 H new ATOM 312 N LEU A 20 0.669 -1.965 7.759 1.00 0.00 N ATOM 313 CA LEU A 20 1.626 -2.883 8.338 1.00 0.00 C ATOM 314 C LEU A 20 2.122 -3.901 7.319 1.00 0.00 C ATOM 315 O LEU A 20 3.285 -4.310 7.363 1.00 0.00 O ATOM 316 CB LEU A 20 0.985 -3.581 9.525 1.00 0.00 C ATOM 317 CG LEU A 20 0.722 -2.677 10.722 1.00 0.00 C ATOM 318 CD1 LEU A 20 0.115 -3.485 11.843 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.007 -1.994 11.167 1.00 0.00 C ATOM 0 H LEU A 20 -0.304 -2.192 7.966 1.00 0.00 H new ATOM 0 HA LEU A 20 2.497 -2.316 8.668 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.041 -4.022 9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.630 -4.401 9.840 1.00 0.00 H new ATOM 0 HG LEU A 20 0.017 -1.897 10.436 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.073 -2.836 12.699 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.825 -3.924 11.508 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.803 -4.279 12.133 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.800 -1.352 12.023 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.742 -2.749 11.448 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.401 -1.391 10.349 1.00 0.00 H new ATOM 331 N ASP A 21 1.252 -4.297 6.396 1.00 0.00 N ATOM 332 CA ASP A 21 1.596 -5.319 5.415 1.00 0.00 C ATOM 333 C ASP A 21 2.488 -4.751 4.309 1.00 0.00 C ATOM 334 O ASP A 21 3.379 -5.442 3.804 1.00 0.00 O ATOM 335 CB ASP A 21 0.335 -6.019 4.860 1.00 0.00 C ATOM 336 CG ASP A 21 -0.649 -5.134 4.131 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.228 -4.264 3.364 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.869 -5.357 4.311 1.00 0.00 O ATOM 0 H ASP A 21 0.306 -3.927 6.307 1.00 0.00 H new ATOM 0 HA ASP A 21 2.178 -6.088 5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.653 -6.811 4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.184 -6.499 5.689 1.00 0.00 H new ATOM 343 N ILE A 22 2.293 -3.485 3.969 1.00 0.00 N ATOM 344 CA ILE A 22 3.166 -2.820 3.008 1.00 0.00 C ATOM 345 C ILE A 22 4.524 -2.547 3.634 1.00 0.00 C ATOM 346 O ILE A 22 5.560 -2.627 2.973 1.00 0.00 O ATOM 347 CB ILE A 22 2.551 -1.504 2.502 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.264 -1.798 1.742 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.524 -0.747 1.611 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.376 -0.599 1.603 1.00 0.00 C ATOM 0 H ILE A 22 1.544 -2.900 4.340 1.00 0.00 H new ATOM 0 HA ILE A 22 3.287 -3.487 2.154 1.00 0.00 H new ATOM 0 HB ILE A 22 2.329 -0.875 3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.513 -2.175 0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.718 -2.589 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.060 0.178 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.427 -0.514 2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.783 -1.363 0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.524 -0.874 1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.099 -0.235 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.906 0.186 1.063 1.00 0.00 H new ATOM 362 N ASN A 23 4.509 -2.248 4.925 1.00 0.00 N ATOM 363 CA ASN A 23 5.734 -2.008 5.673 1.00 0.00 C ATOM 364 C ASN A 23 6.597 -3.274 5.706 1.00 0.00 C ATOM 365 O ASN A 23 7.802 -3.213 5.957 1.00 0.00 O ATOM 366 CB ASN A 23 5.399 -1.572 7.103 1.00 0.00 C ATOM 367 CG ASN A 23 6.391 -0.558 7.648 1.00 0.00 C ATOM 368 OD1 ASN A 23 6.970 0.226 6.899 1.00 0.00 O ATOM 369 ND2 ASN A 23 6.584 -0.557 8.958 1.00 0.00 N ATOM 0 H ASN A 23 3.656 -2.166 5.479 1.00 0.00 H new ATOM 0 HA ASN A 23 6.293 -1.214 5.178 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.397 -1.143 7.124 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.385 -2.447 7.753 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.232 0.110 9.378 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.085 -1.223 9.548 1.00 0.00 H new ATOM 376 N LYS A 24 5.966 -4.422 5.446 1.00 0.00 N ATOM 377 CA LYS A 24 6.652 -5.713 5.445 1.00 0.00 C ATOM 378 C LYS A 24 7.387 -5.955 4.130 1.00 0.00 C ATOM 379 O LYS A 24 8.377 -6.689 4.087 1.00 0.00 O ATOM 380 CB LYS A 24 5.645 -6.846 5.663 1.00 0.00 C ATOM 381 CG LYS A 24 5.049 -6.894 7.060 1.00 0.00 C ATOM 382 CD LYS A 24 3.995 -7.987 7.178 1.00 0.00 C ATOM 383 CE LYS A 24 3.279 -7.943 8.519 1.00 0.00 C ATOM 384 NZ LYS A 24 4.194 -8.212 9.659 1.00 0.00 N ATOM 0 H LYS A 24 4.971 -4.481 5.232 1.00 0.00 H new ATOM 0 HA LYS A 24 7.380 -5.696 6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.837 -6.742 4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.136 -7.797 5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.840 -7.070 7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.603 -5.929 7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.267 -7.877 6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.467 -8.961 7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.818 -6.964 8.650 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.474 -8.677 8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.650 -8.221 10.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.654 -9.135 9.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.919 -7.468 9.705 1.00 0.00 H new ATOM 398 N LEU A 25 6.883 -5.356 3.059 1.00 0.00 N ATOM 399 CA LEU A 25 7.431 -5.568 1.721 1.00 0.00 C ATOM 400 C LEU A 25 8.870 -5.077 1.594 1.00 0.00 C ATOM 401 O LEU A 25 9.195 -3.973 2.029 1.00 0.00 O ATOM 402 CB LEU A 25 6.576 -4.841 0.694 1.00 0.00 C ATOM 403 CG LEU A 25 5.136 -5.309 0.592 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.499 -4.719 -0.643 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.067 -6.816 0.564 1.00 0.00 C ATOM 0 H LEU A 25 6.090 -4.715 3.089 1.00 0.00 H new ATOM 0 HA LEU A 25 7.424 -6.643 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.578 -3.778 0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.045 -4.948 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 25 4.587 -4.967 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.465 -5.056 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.523 -3.631 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.049 -5.044 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.026 -7.131 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.621 -7.190 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.504 -7.217 1.478 1.00 0.00 H new ATOM 417 N PRO A 26 9.758 -5.905 1.007 1.00 0.00 N ATOM 418 CA PRO A 26 11.113 -5.475 0.640 1.00 0.00 C ATOM 419 C PRO A 26 11.075 -4.332 -0.374 1.00 0.00 C ATOM 420 O PRO A 26 10.140 -4.254 -1.169 1.00 0.00 O ATOM 421 CB PRO A 26 11.736 -6.732 0.016 1.00 0.00 C ATOM 422 CG PRO A 26 10.927 -7.863 0.549 1.00 0.00 C ATOM 423 CD PRO A 26 9.530 -7.331 0.690 1.00 0.00 C ATOM 0 HA PRO A 26 11.677 -5.097 1.493 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.695 -6.695 -1.073 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.786 -6.832 0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.954 -8.717 -0.128 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.315 -8.204 1.509 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.954 -7.455 -0.227 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.981 -7.840 1.482 1.00 0.00 H new ATOM 431 N GLY A 27 12.095 -3.470 -0.346 1.00 0.00 N ATOM 432 CA GLY A 27 12.112 -2.249 -1.152 1.00 0.00 C ATOM 433 C GLY A 27 11.642 -2.424 -2.590 1.00 0.00 C ATOM 434 O GLY A 27 10.859 -1.612 -3.084 1.00 0.00 O ATOM 0 H GLY A 27 12.926 -3.598 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.483 -1.502 -0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.127 -1.852 -1.163 1.00 0.00 H new ATOM 438 N GLU A 28 12.115 -3.473 -3.260 1.00 0.00 N ATOM 439 CA GLU A 28 11.709 -3.750 -4.641 1.00 0.00 C ATOM 440 C GLU A 28 10.188 -3.866 -4.749 1.00 0.00 C ATOM 441 O GLU A 28 9.549 -3.154 -5.530 1.00 0.00 O ATOM 442 CB GLU A 28 12.359 -5.050 -5.141 1.00 0.00 C ATOM 443 CG GLU A 28 11.951 -5.439 -6.551 1.00 0.00 C ATOM 444 CD GLU A 28 11.850 -6.935 -6.746 1.00 0.00 C ATOM 445 OE1 GLU A 28 10.964 -7.564 -6.134 1.00 0.00 O ATOM 446 OE2 GLU A 28 12.644 -7.488 -7.535 1.00 0.00 O ATOM 0 H GLU A 28 12.778 -4.145 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 28 12.044 -2.918 -5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.443 -4.940 -5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.097 -5.861 -4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.989 -4.982 -6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.676 -5.034 -7.258 1.00 0.00 H new ATOM 453 N LYS A 29 9.624 -4.758 -3.948 1.00 0.00 N ATOM 454 CA LYS A 29 8.188 -4.994 -3.917 1.00 0.00 C ATOM 455 C LYS A 29 7.448 -3.760 -3.412 1.00 0.00 C ATOM 456 O LYS A 29 6.362 -3.420 -3.882 1.00 0.00 O ATOM 457 CB LYS A 29 7.904 -6.189 -3.004 1.00 0.00 C ATOM 458 CG LYS A 29 8.310 -7.537 -3.592 1.00 0.00 C ATOM 459 CD LYS A 29 7.459 -7.889 -4.803 1.00 0.00 C ATOM 460 CE LYS A 29 7.598 -9.350 -5.211 1.00 0.00 C ATOM 461 NZ LYS A 29 7.008 -10.274 -4.209 1.00 0.00 N ATOM 0 H LYS A 29 10.152 -5.341 -3.298 1.00 0.00 H new ATOM 0 HA LYS A 29 7.836 -5.206 -4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.430 -6.044 -2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.839 -6.211 -2.775 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.361 -7.510 -3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.207 -8.313 -2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.413 -7.675 -4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.745 -7.253 -5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.112 -9.504 -6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.653 -9.589 -5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.745 -10.914 -3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.613 -9.724 -3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.252 -10.832 -4.654 1.00 0.00 H new ATOM 475 N LEU A 30 8.069 -3.092 -2.462 1.00 0.00 N ATOM 476 CA LEU A 30 7.516 -1.900 -1.838 1.00 0.00 C ATOM 477 C LEU A 30 7.292 -0.790 -2.858 1.00 0.00 C ATOM 478 O LEU A 30 6.248 -0.140 -2.838 1.00 0.00 O ATOM 479 CB LEU A 30 8.470 -1.446 -0.730 1.00 0.00 C ATOM 480 CG LEU A 30 8.073 -0.193 0.036 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.572 -0.149 0.294 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.845 -0.153 1.345 1.00 0.00 C ATOM 0 H LEU A 30 8.982 -3.361 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 30 6.541 -2.134 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.577 -2.263 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.452 -1.279 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 30 8.320 0.683 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.324 0.759 0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.039 -0.155 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.278 -1.019 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.569 0.741 1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.606 -1.038 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.915 -0.134 1.136 1.00 0.00 H new ATOM 494 N GLY A 31 8.249 -0.603 -3.763 1.00 0.00 N ATOM 495 CA GLY A 31 8.159 0.464 -4.751 1.00 0.00 C ATOM 496 C GLY A 31 6.890 0.404 -5.586 1.00 0.00 C ATOM 497 O GLY A 31 6.471 1.412 -6.156 1.00 0.00 O ATOM 0 H GLY A 31 9.091 -1.174 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.205 1.426 -4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.024 0.411 -5.412 1.00 0.00 H new ATOM 501 N ARG A 32 6.269 -0.768 -5.656 1.00 0.00 N ATOM 502 CA ARG A 32 5.018 -0.920 -6.382 1.00 0.00 C ATOM 503 C ARG A 32 3.883 -0.221 -5.650 1.00 0.00 C ATOM 504 O ARG A 32 3.130 0.531 -6.249 1.00 0.00 O ATOM 505 CB ARG A 32 4.666 -2.394 -6.561 1.00 0.00 C ATOM 506 CG ARG A 32 3.407 -2.629 -7.390 1.00 0.00 C ATOM 507 CD ARG A 32 3.581 -2.116 -8.819 1.00 0.00 C ATOM 508 NE ARG A 32 4.774 -2.672 -9.463 1.00 0.00 N ATOM 509 CZ ARG A 32 4.774 -3.302 -10.639 1.00 0.00 C ATOM 510 NH1 ARG A 32 3.636 -3.529 -11.284 1.00 0.00 N ATOM 511 NH2 ARG A 32 5.920 -3.724 -11.160 1.00 0.00 N ATOM 0 H ARG A 32 6.612 -1.624 -5.219 1.00 0.00 H new ATOM 0 HA ARG A 32 5.151 -0.463 -7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.504 -2.903 -7.037 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.534 -2.848 -5.579 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.175 -3.694 -7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.561 -2.127 -6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.699 -2.374 -9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.650 -1.028 -8.807 1.00 0.00 H new ATOM 0 HE ARG A 32 5.666 -2.570 -8.979 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.751 -3.221 -10.881 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.647 -4.011 -12.183 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.796 -3.566 -10.661 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.925 -4.206 -12.059 1.00 0.00 H new ATOM 525 N VAL A 33 3.782 -0.459 -4.350 1.00 0.00 N ATOM 526 CA VAL A 33 2.665 0.058 -3.564 1.00 0.00 C ATOM 527 C VAL A 33 2.716 1.569 -3.478 1.00 0.00 C ATOM 528 O VAL A 33 1.707 2.233 -3.703 1.00 0.00 O ATOM 529 CB VAL A 33 2.623 -0.530 -2.144 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.189 -0.829 -1.769 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.474 -1.780 -2.035 1.00 0.00 C ATOM 0 H VAL A 33 4.457 -1.006 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 33 1.758 -0.249 -4.084 1.00 0.00 H new ATOM 0 HB VAL A 33 3.036 0.204 -1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.156 -1.246 -0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.605 0.091 -1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.771 -1.548 -2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.421 -2.169 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.105 -2.533 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.509 -1.538 -2.277 1.00 0.00 H new ATOM 541 N VAL A 34 3.894 2.109 -3.177 1.00 0.00 N ATOM 542 CA VAL A 34 4.090 3.562 -3.185 1.00 0.00 C ATOM 543 C VAL A 34 3.591 4.133 -4.510 1.00 0.00 C ATOM 544 O VAL A 34 2.952 5.183 -4.555 1.00 0.00 O ATOM 545 CB VAL A 34 5.583 3.953 -2.953 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.457 2.729 -2.963 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.095 4.957 -3.981 1.00 0.00 C ATOM 0 H VAL A 34 4.723 1.570 -2.926 1.00 0.00 H new ATOM 0 HA VAL A 34 3.517 3.985 -2.360 1.00 0.00 H new ATOM 0 HB VAL A 34 5.630 4.432 -1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.494 3.021 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.142 2.051 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.369 2.227 -3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.138 5.193 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.014 4.528 -4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.499 5.868 -3.928 1.00 0.00 H new ATOM 557 N HIS A 35 3.867 3.397 -5.575 1.00 0.00 N ATOM 558 CA HIS A 35 3.442 3.774 -6.917 1.00 0.00 C ATOM 559 C HIS A 35 1.923 3.619 -7.084 1.00 0.00 C ATOM 560 O HIS A 35 1.276 4.478 -7.681 1.00 0.00 O ATOM 561 CB HIS A 35 4.185 2.927 -7.951 1.00 0.00 C ATOM 562 CG HIS A 35 4.100 3.450 -9.355 1.00 0.00 C ATOM 563 ND1 HIS A 35 5.071 4.256 -9.913 1.00 0.00 N ATOM 564 CD2 HIS A 35 3.166 3.272 -10.321 1.00 0.00 C ATOM 565 CE1 HIS A 35 4.738 4.550 -11.155 1.00 0.00 C ATOM 566 NE2 HIS A 35 3.588 3.967 -11.426 1.00 0.00 N ATOM 0 H HIS A 35 4.391 2.523 -5.535 1.00 0.00 H new ATOM 0 HA HIS A 35 3.685 4.825 -7.073 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.234 2.861 -7.663 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.784 1.914 -7.929 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.259 2.692 -10.237 1.00 0.00 H new ATOM 0 HE1 HIS A 35 5.311 5.164 -11.834 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.091 4.023 -12.315 1.00 0.00 H new ATOM 575 N ILE A 36 1.364 2.527 -6.556 1.00 0.00 N ATOM 576 CA ILE A 36 -0.075 2.261 -6.664 1.00 0.00 C ATOM 577 C ILE A 36 -0.883 3.386 -6.030 1.00 0.00 C ATOM 578 O ILE A 36 -1.760 3.963 -6.672 1.00 0.00 O ATOM 579 CB ILE A 36 -0.506 0.916 -6.014 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.266 -0.256 -6.631 1.00 0.00 C ATOM 581 CG2 ILE A 36 -2.010 0.708 -6.194 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.228 -1.623 -6.199 1.00 0.00 C ATOM 0 H ILE A 36 1.885 1.812 -6.049 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.279 2.197 -7.733 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.276 0.956 -4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.203 -0.186 -7.717 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.319 -0.162 -6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.304 -0.236 -5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.550 1.526 -5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.250 0.686 -7.257 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.372 -2.395 -6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.139 -1.717 -5.117 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.272 -1.741 -6.489 1.00 0.00 H new ATOM 594 N ILE A 37 -0.574 3.709 -4.779 1.00 0.00 N ATOM 595 CA ILE A 37 -1.315 4.741 -4.066 1.00 0.00 C ATOM 596 C ILE A 37 -1.188 6.085 -4.778 1.00 0.00 C ATOM 597 O ILE A 37 -2.182 6.757 -5.031 1.00 0.00 O ATOM 598 CB ILE A 37 -0.858 4.899 -2.600 1.00 0.00 C ATOM 599 CG1 ILE A 37 -1.026 3.589 -1.829 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.675 5.990 -1.938 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.261 3.036 -1.268 1.00 0.00 C ATOM 0 H ILE A 37 0.177 3.275 -4.242 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.356 4.419 -4.059 1.00 0.00 H new ATOM 0 HB ILE A 37 0.199 5.166 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.728 3.749 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.471 2.845 -2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.356 6.106 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.527 6.929 -2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.731 5.721 -1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.056 2.107 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.959 2.842 -2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.698 3.759 -0.580 1.00 0.00 H new ATOM 613 N GLN A 38 0.043 6.457 -5.107 1.00 0.00 N ATOM 614 CA GLN A 38 0.314 7.704 -5.826 1.00 0.00 C ATOM 615 C GLN A 38 -0.442 7.779 -7.151 1.00 0.00 C ATOM 616 O GLN A 38 -0.869 8.856 -7.570 1.00 0.00 O ATOM 617 CB GLN A 38 1.816 7.859 -6.085 1.00 0.00 C ATOM 618 CG GLN A 38 2.612 8.279 -4.855 1.00 0.00 C ATOM 619 CD GLN A 38 3.642 9.347 -5.170 1.00 0.00 C ATOM 620 OE1 GLN A 38 3.465 10.146 -6.090 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.721 9.379 -4.403 1.00 0.00 N ATOM 0 H GLN A 38 0.877 5.912 -4.887 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.035 8.519 -5.192 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.211 6.913 -6.456 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.965 8.598 -6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.928 8.651 -4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.113 7.407 -4.435 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.832 8.700 -3.650 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.441 10.083 -4.565 1.00 0.00 H new ATOM 630 N SER A 39 -0.599 6.642 -7.812 1.00 0.00 N ATOM 631 CA SER A 39 -1.290 6.595 -9.091 1.00 0.00 C ATOM 632 C SER A 39 -2.801 6.709 -8.905 1.00 0.00 C ATOM 633 O SER A 39 -3.471 7.432 -9.648 1.00 0.00 O ATOM 634 CB SER A 39 -0.944 5.303 -9.837 1.00 0.00 C ATOM 635 OG SER A 39 -1.641 5.213 -11.071 1.00 0.00 O ATOM 0 H SER A 39 -0.257 5.739 -7.483 1.00 0.00 H new ATOM 0 HA SER A 39 -0.956 7.446 -9.685 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.130 5.264 -10.021 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.192 4.444 -9.214 1.00 0.00 H new ATOM 0 HG SER A 39 -1.398 4.379 -11.524 1.00 0.00 H new ATOM 641 N ARG A 40 -3.335 6.012 -7.912 1.00 0.00 N ATOM 642 CA ARG A 40 -4.777 5.972 -7.709 1.00 0.00 C ATOM 643 C ARG A 40 -5.279 7.198 -6.958 1.00 0.00 C ATOM 644 O ARG A 40 -6.397 7.660 -7.197 1.00 0.00 O ATOM 645 CB ARG A 40 -5.189 4.719 -6.947 1.00 0.00 C ATOM 646 CG ARG A 40 -4.718 3.421 -7.583 1.00 0.00 C ATOM 647 CD ARG A 40 -5.751 2.330 -7.422 1.00 0.00 C ATOM 648 NE ARG A 40 -7.034 2.692 -8.033 1.00 0.00 N ATOM 649 CZ ARG A 40 -8.010 1.824 -8.302 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.858 0.535 -8.020 1.00 0.00 N ATOM 651 NH2 ARG A 40 -9.144 2.249 -8.854 1.00 0.00 N ATOM 0 H ARG A 40 -2.795 5.469 -7.238 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.230 5.960 -8.701 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.794 4.778 -5.933 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.276 4.697 -6.866 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.518 3.583 -8.642 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.780 3.108 -7.126 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.380 1.411 -7.875 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.900 2.125 -6.362 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.190 3.672 -8.268 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.991 0.205 -7.595 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.608 -0.124 -8.228 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.266 3.238 -9.071 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.891 1.586 -9.060 1.00 0.00 H new ATOM 665 N GLU A 41 -4.471 7.711 -6.041 1.00 0.00 N ATOM 666 CA GLU A 41 -4.854 8.880 -5.252 1.00 0.00 C ATOM 667 C GLU A 41 -4.062 10.129 -5.658 1.00 0.00 C ATOM 668 O GLU A 41 -3.052 10.450 -5.028 1.00 0.00 O ATOM 669 CB GLU A 41 -4.637 8.613 -3.761 1.00 0.00 C ATOM 670 CG GLU A 41 -5.290 7.342 -3.247 1.00 0.00 C ATOM 671 CD GLU A 41 -6.729 7.198 -3.688 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.571 8.023 -3.286 1.00 0.00 O ATOM 673 OE2 GLU A 41 -7.025 6.253 -4.435 1.00 0.00 O ATOM 0 H GLU A 41 -3.547 7.339 -5.823 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.911 9.064 -5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.566 8.560 -3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.023 9.460 -3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.721 6.481 -3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.247 7.332 -2.158 1.00 0.00 H new ATOM 680 N PRO A 42 -4.480 10.835 -6.738 1.00 0.00 N ATOM 681 CA PRO A 42 -3.864 12.107 -7.159 1.00 0.00 C ATOM 682 C PRO A 42 -3.510 13.072 -6.014 1.00 0.00 C ATOM 683 O PRO A 42 -2.525 13.805 -6.103 1.00 0.00 O ATOM 684 CB PRO A 42 -4.932 12.749 -8.041 1.00 0.00 C ATOM 685 CG PRO A 42 -5.822 11.642 -8.509 1.00 0.00 C ATOM 686 CD PRO A 42 -5.507 10.399 -7.714 1.00 0.00 C ATOM 0 HA PRO A 42 -2.909 11.908 -7.645 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.500 13.493 -7.482 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.477 13.264 -8.887 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.868 11.918 -8.380 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.670 11.459 -9.573 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.394 10.013 -7.212 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.132 9.602 -8.356 1.00 0.00 H new ATOM 694 N SER A 43 -4.306 13.069 -4.952 1.00 0.00 N ATOM 695 CA SER A 43 -4.156 14.014 -3.852 1.00 0.00 C ATOM 696 C SER A 43 -2.782 13.924 -3.179 1.00 0.00 C ATOM 697 O SER A 43 -2.336 14.874 -2.533 1.00 0.00 O ATOM 698 CB SER A 43 -5.254 13.753 -2.825 1.00 0.00 C ATOM 699 OG SER A 43 -6.517 13.634 -3.462 1.00 0.00 O ATOM 0 H SER A 43 -5.075 12.410 -4.829 1.00 0.00 H new ATOM 0 HA SER A 43 -4.241 15.020 -4.262 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.032 12.840 -2.272 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.282 14.566 -2.100 1.00 0.00 H new ATOM 0 HG SER A 43 -7.208 13.465 -2.788 1.00 0.00 H new ATOM 705 N LEU A 44 -2.110 12.791 -3.331 1.00 0.00 N ATOM 706 CA LEU A 44 -0.816 12.591 -2.693 1.00 0.00 C ATOM 707 C LEU A 44 0.260 12.263 -3.719 1.00 0.00 C ATOM 708 O LEU A 44 1.347 11.806 -3.373 1.00 0.00 O ATOM 709 CB LEU A 44 -0.914 11.494 -1.625 1.00 0.00 C ATOM 710 CG LEU A 44 -1.433 10.136 -2.100 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.285 9.243 -2.541 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.242 9.468 -0.998 1.00 0.00 C ATOM 0 H LEU A 44 -2.437 12.001 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.528 13.522 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.075 11.350 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.565 11.850 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.083 10.296 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.678 8.283 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.252 9.720 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.395 9.085 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.606 8.502 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.611 9.322 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.089 10.101 -0.734 1.00 0.00 H new ATOM 724 N LYS A 45 -0.028 12.528 -4.986 1.00 0.00 N ATOM 725 CA LYS A 45 0.932 12.235 -6.048 1.00 0.00 C ATOM 726 C LYS A 45 2.045 13.278 -6.067 1.00 0.00 C ATOM 727 O LYS A 45 3.007 13.168 -6.827 1.00 0.00 O ATOM 728 CB LYS A 45 0.244 12.174 -7.413 1.00 0.00 C ATOM 729 CG LYS A 45 -0.092 13.527 -8.002 1.00 0.00 C ATOM 730 CD LYS A 45 -0.901 13.375 -9.270 1.00 0.00 C ATOM 731 CE LYS A 45 -0.787 14.608 -10.136 1.00 0.00 C ATOM 732 NZ LYS A 45 -1.311 15.823 -9.459 1.00 0.00 N ATOM 0 H LYS A 45 -0.906 12.940 -5.304 1.00 0.00 H new ATOM 0 HA LYS A 45 1.368 11.258 -5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.890 11.638 -8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.674 11.594 -7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.653 14.116 -7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.826 14.074 -8.215 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.554 12.503 -9.825 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.947 13.198 -9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.258 14.766 -10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.334 14.448 -11.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.259 16.633 -10.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.301 15.666 -9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.741 16.022 -8.612 1.00 0.00 H new ATOM 746 N ASN A 46 1.899 14.290 -5.228 1.00 0.00 N ATOM 747 CA ASN A 46 2.895 15.342 -5.105 1.00 0.00 C ATOM 748 C ASN A 46 3.830 15.058 -3.935 1.00 0.00 C ATOM 749 O ASN A 46 4.658 15.894 -3.565 1.00 0.00 O ATOM 750 CB ASN A 46 2.212 16.702 -4.939 1.00 0.00 C ATOM 751 CG ASN A 46 1.106 16.674 -3.903 1.00 0.00 C ATOM 752 OD1 ASN A 46 -0.049 16.379 -4.218 1.00 0.00 O ATOM 753 ND2 ASN A 46 1.441 16.980 -2.666 1.00 0.00 N ATOM 0 H ASN A 46 1.091 14.406 -4.616 1.00 0.00 H new ATOM 0 HA ASN A 46 3.492 15.367 -6.017 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.955 17.446 -4.652 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.800 17.017 -5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.734 16.978 -1.931 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.407 17.219 -2.444 1.00 0.00 H new ATOM 760 N SER A 47 3.690 13.875 -3.349 1.00 0.00 N ATOM 761 CA SER A 47 4.597 13.434 -2.304 1.00 0.00 C ATOM 762 C SER A 47 5.890 12.933 -2.932 1.00 0.00 C ATOM 763 O SER A 47 5.864 12.286 -3.985 1.00 0.00 O ATOM 764 CB SER A 47 3.956 12.316 -1.475 1.00 0.00 C ATOM 765 OG SER A 47 2.703 12.719 -0.954 1.00 0.00 O ATOM 0 H SER A 47 2.956 13.206 -3.582 1.00 0.00 H new ATOM 0 HA SER A 47 4.813 14.275 -1.645 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.827 11.429 -2.095 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.621 12.039 -0.657 1.00 0.00 H new ATOM 0 HG SER A 47 1.997 12.506 -1.599 1.00 0.00 H new ATOM 771 N ASN A 48 7.018 13.244 -2.303 1.00 0.00 N ATOM 772 CA ASN A 48 8.308 12.772 -2.791 1.00 0.00 C ATOM 773 C ASN A 48 8.329 11.254 -2.733 1.00 0.00 C ATOM 774 O ASN A 48 7.965 10.672 -1.716 1.00 0.00 O ATOM 775 CB ASN A 48 9.457 13.337 -1.945 1.00 0.00 C ATOM 776 CG ASN A 48 9.474 14.849 -1.898 1.00 0.00 C ATOM 777 OD1 ASN A 48 9.082 15.517 -2.857 1.00 0.00 O ATOM 778 ND2 ASN A 48 9.919 15.398 -0.778 1.00 0.00 N ATOM 0 H ASN A 48 7.066 13.817 -1.460 1.00 0.00 H new ATOM 0 HA ASN A 48 8.444 13.113 -3.817 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.377 12.949 -0.930 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.405 12.982 -2.348 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.947 16.413 -0.684 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.234 14.806 -0.010 1.00 0.00 H new ATOM 785 N PRO A 49 8.743 10.586 -3.822 1.00 0.00 N ATOM 786 CA PRO A 49 8.713 9.121 -3.912 1.00 0.00 C ATOM 787 C PRO A 49 9.595 8.450 -2.868 1.00 0.00 C ATOM 788 O PRO A 49 9.474 7.256 -2.631 1.00 0.00 O ATOM 789 CB PRO A 49 9.237 8.828 -5.320 1.00 0.00 C ATOM 790 CG PRO A 49 9.997 10.050 -5.702 1.00 0.00 C ATOM 791 CD PRO A 49 9.275 11.194 -5.052 1.00 0.00 C ATOM 0 HA PRO A 49 7.711 8.732 -3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.876 7.945 -5.329 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.419 8.637 -6.015 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.030 9.993 -5.359 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.027 10.170 -6.785 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.946 12.025 -4.835 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.480 11.584 -5.687 1.00 0.00 H new ATOM 799 N ASP A 50 10.478 9.224 -2.254 1.00 0.00 N ATOM 800 CA ASP A 50 11.340 8.727 -1.190 1.00 0.00 C ATOM 801 C ASP A 50 10.611 8.786 0.153 1.00 0.00 C ATOM 802 O ASP A 50 10.788 7.921 1.012 1.00 0.00 O ATOM 803 CB ASP A 50 12.622 9.565 -1.092 1.00 0.00 C ATOM 804 CG ASP A 50 13.241 9.915 -2.434 1.00 0.00 C ATOM 805 OD1 ASP A 50 12.573 10.586 -3.254 1.00 0.00 O ATOM 806 OD2 ASP A 50 14.414 9.565 -2.653 1.00 0.00 O ATOM 0 H ASP A 50 10.617 10.209 -2.477 1.00 0.00 H new ATOM 0 HA ASP A 50 11.600 7.695 -1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.400 10.487 -0.555 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.355 9.019 -0.498 1.00 0.00 H new ATOM 811 N GLU A 51 9.739 9.778 0.277 1.00 0.00 N ATOM 812 CA GLU A 51 9.101 10.145 1.539 1.00 0.00 C ATOM 813 C GLU A 51 7.610 10.314 1.299 1.00 0.00 C ATOM 814 O GLU A 51 7.063 11.400 1.495 1.00 0.00 O ATOM 815 CB GLU A 51 9.682 11.477 2.039 1.00 0.00 C ATOM 816 CG GLU A 51 10.588 11.364 3.250 1.00 0.00 C ATOM 817 CD GLU A 51 9.824 11.325 4.558 1.00 0.00 C ATOM 818 OE1 GLU A 51 9.409 12.406 5.039 1.00 0.00 O ATOM 819 OE2 GLU A 51 9.654 10.229 5.125 1.00 0.00 O ATOM 0 H GLU A 51 9.449 10.361 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 51 9.279 9.369 2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.242 11.940 1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.858 12.148 2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.193 10.462 3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.276 12.209 3.262 1.00 0.00 H new ATOM 826 N ILE A 52 6.959 9.256 0.847 1.00 0.00 N ATOM 827 CA ILE A 52 5.603 9.384 0.347 1.00 0.00 C ATOM 828 C ILE A 52 4.597 9.506 1.486 1.00 0.00 C ATOM 829 O ILE A 52 4.781 8.931 2.561 1.00 0.00 O ATOM 830 CB ILE A 52 5.217 8.225 -0.596 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.700 7.031 0.172 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.415 7.795 -1.425 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.833 6.139 -0.679 1.00 0.00 C ATOM 0 H ILE A 52 7.342 8.311 0.816 1.00 0.00 H new ATOM 0 HA ILE A 52 5.573 10.305 -0.236 1.00 0.00 H new ATOM 0 HB ILE A 52 4.425 8.592 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.542 6.456 0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.129 7.375 1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.126 6.977 -2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.765 8.637 -2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.215 7.462 -0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.485 5.295 -0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.975 6.705 -1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.411 5.771 -1.527 1.00 0.00 H new ATOM 845 N GLU A 53 3.545 10.268 1.237 1.00 0.00 N ATOM 846 CA GLU A 53 2.557 10.582 2.249 1.00 0.00 C ATOM 847 C GLU A 53 1.239 9.880 1.923 1.00 0.00 C ATOM 848 O GLU A 53 0.585 10.208 0.934 1.00 0.00 O ATOM 849 CB GLU A 53 2.354 12.099 2.278 1.00 0.00 C ATOM 850 CG GLU A 53 2.063 12.681 3.651 1.00 0.00 C ATOM 851 CD GLU A 53 0.967 11.956 4.390 1.00 0.00 C ATOM 852 OE1 GLU A 53 -0.214 12.317 4.205 1.00 0.00 O ATOM 853 OE2 GLU A 53 1.287 11.034 5.164 1.00 0.00 O ATOM 0 H GLU A 53 3.354 10.685 0.326 1.00 0.00 H new ATOM 0 HA GLU A 53 2.899 10.238 3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.248 12.578 1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.531 12.353 1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.974 12.654 4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.785 13.729 3.541 1.00 0.00 H new ATOM 860 N ILE A 54 0.852 8.919 2.746 1.00 0.00 N ATOM 861 CA ILE A 54 -0.376 8.164 2.510 1.00 0.00 C ATOM 862 C ILE A 54 -1.427 8.472 3.569 1.00 0.00 C ATOM 863 O ILE A 54 -1.117 8.529 4.761 1.00 0.00 O ATOM 864 CB ILE A 54 -0.110 6.647 2.504 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.889 6.281 1.412 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.406 5.883 2.291 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.325 4.837 1.458 1.00 0.00 C ATOM 0 H ILE A 54 1.366 8.641 3.582 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.747 8.469 1.532 1.00 0.00 H new ATOM 0 HB ILE A 54 0.310 6.372 3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.444 6.488 0.439 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.767 6.921 1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.201 4.812 2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.103 6.118 3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.845 6.170 1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.035 4.646 0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.799 4.630 2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.456 4.190 1.336 1.00 0.00 H new ATOM 879 N ASP A 55 -2.672 8.649 3.133 1.00 0.00 N ATOM 880 CA ASP A 55 -3.771 8.900 4.055 1.00 0.00 C ATOM 881 C ASP A 55 -4.792 7.785 3.924 1.00 0.00 C ATOM 882 O ASP A 55 -5.699 7.856 3.092 1.00 0.00 O ATOM 883 CB ASP A 55 -4.430 10.254 3.771 1.00 0.00 C ATOM 884 CG ASP A 55 -5.459 10.642 4.822 1.00 0.00 C ATOM 885 OD1 ASP A 55 -6.098 9.747 5.413 1.00 0.00 O ATOM 886 OD2 ASP A 55 -5.642 11.852 5.058 1.00 0.00 O ATOM 0 H ASP A 55 -2.942 8.623 2.150 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.380 8.926 5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.660 11.024 3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.911 10.221 2.793 1.00 0.00 H new ATOM 891 N PHE A 56 -4.652 6.766 4.758 1.00 0.00 N ATOM 892 CA PHE A 56 -5.440 5.549 4.625 1.00 0.00 C ATOM 893 C PHE A 56 -6.938 5.783 4.803 1.00 0.00 C ATOM 894 O PHE A 56 -7.745 4.943 4.416 1.00 0.00 O ATOM 895 CB PHE A 56 -4.939 4.489 5.599 1.00 0.00 C ATOM 896 CG PHE A 56 -4.115 3.443 4.915 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.756 3.613 4.723 1.00 0.00 C ATOM 898 CD2 PHE A 56 -4.715 2.302 4.433 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.016 2.653 4.059 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.988 1.343 3.775 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.637 1.512 3.584 1.00 0.00 C ATOM 0 H PHE A 56 -3.996 6.758 5.539 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.306 5.195 3.603 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.345 4.965 6.379 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.790 4.017 6.090 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.269 4.503 5.095 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.776 2.159 4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.955 2.793 3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.478 0.454 3.406 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.064 0.758 3.066 1.00 0.00 H new ATOM 911 N GLU A 57 -7.310 6.926 5.356 1.00 0.00 N ATOM 912 CA GLU A 57 -8.714 7.249 5.549 1.00 0.00 C ATOM 913 C GLU A 57 -9.296 7.984 4.347 1.00 0.00 C ATOM 914 O GLU A 57 -10.469 8.352 4.350 1.00 0.00 O ATOM 915 CB GLU A 57 -8.885 8.083 6.811 1.00 0.00 C ATOM 916 CG GLU A 57 -8.737 7.268 8.079 1.00 0.00 C ATOM 917 CD GLU A 57 -9.902 6.322 8.287 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.908 5.227 7.684 1.00 0.00 O ATOM 919 OE2 GLU A 57 -10.828 6.676 9.045 1.00 0.00 O ATOM 0 H GLU A 57 -6.661 7.644 5.678 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.261 6.312 5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.148 8.886 6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.868 8.553 6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.810 6.697 8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.659 7.939 8.934 1.00 0.00 H new ATOM 926 N THR A 58 -8.486 8.198 3.319 1.00 0.00 N ATOM 927 CA THR A 58 -8.957 8.896 2.132 1.00 0.00 C ATOM 928 C THR A 58 -8.734 8.082 0.861 1.00 0.00 C ATOM 929 O THR A 58 -9.283 8.414 -0.192 1.00 0.00 O ATOM 930 CB THR A 58 -8.286 10.276 1.985 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.861 10.139 1.932 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.663 11.175 3.146 1.00 0.00 C ATOM 0 H THR A 58 -7.511 7.902 3.283 1.00 0.00 H new ATOM 0 HA THR A 58 -10.030 9.036 2.266 1.00 0.00 H new ATOM 0 HB THR A 58 -8.636 10.725 1.056 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.608 9.239 2.226 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.181 12.145 3.026 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.745 11.308 3.167 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.335 10.719 4.080 1.00 0.00 H new ATOM 940 N LEU A 59 -7.934 7.020 0.956 1.00 0.00 N ATOM 941 CA LEU A 59 -7.665 6.170 -0.207 1.00 0.00 C ATOM 942 C LEU A 59 -8.957 5.500 -0.655 1.00 0.00 C ATOM 943 O LEU A 59 -9.764 5.076 0.177 1.00 0.00 O ATOM 944 CB LEU A 59 -6.634 5.076 0.105 1.00 0.00 C ATOM 945 CG LEU A 59 -5.474 5.479 1.018 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.498 4.322 1.175 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.770 6.725 0.495 1.00 0.00 C ATOM 0 H LEU A 59 -7.465 6.729 1.814 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.262 6.810 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.155 4.236 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.219 4.718 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.879 5.721 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.678 4.623 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.014 3.467 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.102 4.045 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.950 6.988 1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.376 6.529 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.479 7.551 0.449 1.00 0.00 H new ATOM 959 N LYS A 60 -9.151 5.415 -1.960 1.00 0.00 N ATOM 960 CA LYS A 60 -10.325 4.766 -2.526 1.00 0.00 C ATOM 961 C LYS A 60 -10.347 3.284 -2.150 1.00 0.00 C ATOM 962 O LYS A 60 -9.297 2.666 -1.963 1.00 0.00 O ATOM 963 CB LYS A 60 -10.295 4.932 -4.047 1.00 0.00 C ATOM 964 CG LYS A 60 -10.192 6.382 -4.495 1.00 0.00 C ATOM 965 CD LYS A 60 -10.091 6.504 -6.003 1.00 0.00 C ATOM 966 CE LYS A 60 -9.852 7.948 -6.412 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.610 8.499 -5.802 1.00 0.00 N ATOM 0 H LYS A 60 -8.505 5.791 -2.654 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.228 5.228 -2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.449 4.374 -4.449 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.198 4.492 -4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.065 6.933 -4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.318 6.843 -4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.277 5.878 -6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.008 6.137 -6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.782 8.011 -7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.705 8.556 -6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.482 9.486 -6.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.687 8.463 -4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.792 7.934 -6.109 1.00 0.00 H new ATOM 981 N PRO A 61 -11.554 2.697 -2.020 1.00 0.00 N ATOM 982 CA PRO A 61 -11.711 1.287 -1.650 1.00 0.00 C ATOM 983 C PRO A 61 -10.999 0.346 -2.620 1.00 0.00 C ATOM 984 O PRO A 61 -10.525 -0.720 -2.228 1.00 0.00 O ATOM 985 CB PRO A 61 -13.225 1.049 -1.699 1.00 0.00 C ATOM 986 CG PRO A 61 -13.858 2.402 -1.655 1.00 0.00 C ATOM 987 CD PRO A 61 -12.851 3.374 -2.214 1.00 0.00 C ATOM 0 HA PRO A 61 -11.271 1.085 -0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.507 0.516 -2.607 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.551 0.438 -0.857 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.777 2.418 -2.241 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.127 2.670 -0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.039 3.582 -3.267 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.885 4.329 -1.690 1.00 0.00 H new ATOM 995 N SER A 62 -10.908 0.754 -3.881 1.00 0.00 N ATOM 996 CA SER A 62 -10.205 -0.076 -4.885 1.00 0.00 C ATOM 997 C SER A 62 -8.702 0.078 -4.718 1.00 0.00 C ATOM 998 O SER A 62 -7.935 -0.815 -5.076 1.00 0.00 O ATOM 999 CB SER A 62 -10.608 0.200 -6.359 1.00 0.00 C ATOM 1000 OG SER A 62 -10.306 -0.921 -7.176 1.00 0.00 O ATOM 0 H SER A 62 -11.296 1.627 -4.238 1.00 0.00 H new ATOM 0 HA SER A 62 -10.516 -1.102 -4.688 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.674 0.422 -6.415 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.080 1.079 -6.728 1.00 0.00 H new ATOM 0 HG SER A 62 -10.833 -1.693 -6.880 1.00 0.00 H new ATOM 1006 N THR A 63 -8.280 1.201 -4.159 1.00 0.00 N ATOM 1007 CA THR A 63 -6.879 1.402 -3.851 1.00 0.00 C ATOM 1008 C THR A 63 -6.470 0.471 -2.719 1.00 0.00 C ATOM 1009 O THR A 63 -5.536 -0.307 -2.866 1.00 0.00 O ATOM 1010 CB THR A 63 -6.590 2.870 -3.480 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.364 3.717 -4.338 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.114 3.189 -3.653 1.00 0.00 C ATOM 0 H THR A 63 -8.887 1.982 -3.911 1.00 0.00 H new ATOM 0 HA THR A 63 -6.291 1.170 -4.739 1.00 0.00 H new ATOM 0 HB THR A 63 -6.856 3.036 -2.436 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.872 4.547 -4.509 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.933 4.230 -3.386 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.523 2.540 -3.006 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.826 3.026 -4.691 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.215 0.517 -1.617 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.948 -0.342 -0.461 1.00 0.00 C ATOM 1022 C LEU A 64 -6.925 -1.811 -0.856 1.00 0.00 C ATOM 1023 O LEU A 64 -6.012 -2.548 -0.488 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.009 -0.126 0.624 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.990 1.246 1.291 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.192 1.417 2.206 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.712 1.428 2.078 1.00 0.00 C ATOM 0 H LEU A 64 -8.012 1.142 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.967 -0.070 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.993 -0.284 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.879 -0.887 1.393 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.038 2.005 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.158 2.402 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.109 1.322 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.172 0.650 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.711 2.411 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.645 0.658 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.857 1.347 1.407 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.919 -2.228 -1.624 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.031 -3.621 -2.028 1.00 0.00 C ATOM 1041 C ARG A 65 -6.861 -4.011 -2.933 1.00 0.00 C ATOM 1042 O ARG A 65 -6.403 -5.148 -2.908 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.373 -3.842 -2.730 1.00 0.00 C ATOM 1044 CG ARG A 65 -9.664 -5.288 -3.162 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.253 -6.369 -2.147 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.716 -7.683 -2.586 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.404 -8.837 -2.000 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.617 -8.866 -0.930 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.885 -9.971 -2.494 1.00 0.00 N ATOM 0 H ARG A 65 -8.659 -1.623 -1.980 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.991 -4.259 -1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.170 -3.513 -2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.411 -3.203 -3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.732 -5.384 -3.359 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.148 -5.480 -4.103 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.169 -6.377 -2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.673 -6.137 -1.169 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.325 -7.719 -3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.244 -7.997 -0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.386 -9.757 -0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.488 -9.954 -3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.651 -10.860 -2.052 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.357 -3.049 -3.696 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.242 -3.290 -4.599 1.00 0.00 C ATOM 1065 C GLU A 66 -3.947 -3.377 -3.811 1.00 0.00 C ATOM 1066 O GLU A 66 -3.094 -4.220 -4.080 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.168 -2.172 -5.640 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.963 -2.252 -6.560 1.00 0.00 C ATOM 1069 CD GLU A 66 -3.976 -3.488 -7.431 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -4.539 -3.421 -8.542 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.423 -4.527 -7.022 1.00 0.00 O ATOM 0 H GLU A 66 -6.706 -2.091 -3.706 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.394 -4.237 -5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.074 -2.195 -6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.153 -1.212 -5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.935 -1.366 -7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.052 -2.244 -5.961 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.832 -2.526 -2.808 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.658 -2.482 -1.969 1.00 0.00 C ATOM 1080 C LEU A 67 -2.549 -3.794 -1.202 1.00 0.00 C ATOM 1081 O LEU A 67 -1.520 -4.466 -1.225 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.786 -1.303 -0.998 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.044 0.054 -1.655 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.158 1.138 -0.599 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.949 0.391 -2.647 1.00 0.00 C ATOM 0 H LEU A 67 -4.551 -1.848 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.761 -2.349 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.598 -1.512 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.871 -1.236 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.987 -0.003 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.342 2.098 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.984 0.906 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.230 1.190 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.155 1.360 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.990 0.428 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.914 -0.373 -3.424 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.658 -4.167 -0.577 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.733 -5.371 0.246 1.00 0.00 C ATOM 1099 C GLU A 68 -3.544 -6.635 -0.589 1.00 0.00 C ATOM 1100 O GLU A 68 -2.713 -7.486 -0.264 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.082 -5.421 0.965 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.292 -6.668 1.805 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.263 -7.652 1.181 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -7.368 -7.231 0.776 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -5.936 -8.859 1.117 1.00 0.00 O ATOM 0 H GLU A 68 -4.533 -3.644 -0.625 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.926 -5.330 0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.172 -4.545 1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.879 -5.357 0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.332 -7.162 1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.661 -6.378 2.789 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.325 -6.752 -1.660 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.274 -7.927 -2.532 1.00 0.00 C ATOM 1114 C ARG A 69 -2.870 -8.133 -3.084 1.00 0.00 C ATOM 1115 O ARG A 69 -2.413 -9.264 -3.283 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.258 -7.784 -3.692 1.00 0.00 C ATOM 1117 CG ARG A 69 -5.359 -9.030 -4.549 1.00 0.00 C ATOM 1118 CD ARG A 69 -5.905 -8.714 -5.933 1.00 0.00 C ATOM 1119 NE ARG A 69 -5.113 -7.687 -6.615 1.00 0.00 N ATOM 1120 CZ ARG A 69 -4.976 -7.601 -7.938 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -5.561 -8.488 -8.736 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -4.261 -6.618 -8.465 1.00 0.00 N ATOM 0 H ARG A 69 -5.003 -6.046 -1.947 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.551 -8.794 -1.932 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.244 -7.543 -3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.953 -6.945 -4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.375 -9.490 -4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.006 -9.758 -4.059 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.915 -9.623 -6.535 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.938 -8.377 -5.847 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.636 -6.993 -6.040 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.120 -9.242 -8.337 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.451 -8.415 -9.747 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.817 -5.929 -7.859 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.155 -6.550 -9.477 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.180 -7.035 -3.311 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.852 -7.088 -3.892 1.00 0.00 C ATOM 1138 C TYR A 70 0.178 -7.506 -2.848 1.00 0.00 C ATOM 1139 O TYR A 70 0.979 -8.406 -3.085 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.467 -5.739 -4.509 1.00 0.00 C ATOM 1141 CG TYR A 70 1.005 -5.632 -4.821 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.541 -6.198 -5.972 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.863 -4.991 -3.943 1.00 0.00 C ATOM 1144 CE1 TYR A 70 2.893 -6.123 -6.238 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.216 -4.915 -4.197 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.727 -5.486 -5.348 1.00 0.00 C ATOM 1147 OH TYR A 70 5.076 -5.417 -5.612 1.00 0.00 O ATOM 0 H TYR A 70 -2.515 -6.094 -3.103 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.865 -7.835 -4.686 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.039 -5.588 -5.425 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.746 -4.939 -3.823 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.889 -6.704 -6.669 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.466 -4.543 -3.044 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.294 -6.562 -7.140 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.872 -4.413 -3.502 1.00 0.00 H new ATOM 0 HH TYR A 70 5.490 -4.747 -5.029 1.00 0.00 H new ATOM 1157 N VAL A 71 0.155 -6.862 -1.693 1.00 0.00 N ATOM 1158 CA VAL A 71 1.137 -7.146 -0.655 1.00 0.00 C ATOM 1159 C VAL A 71 0.986 -8.561 -0.124 1.00 0.00 C ATOM 1160 O VAL A 71 1.974 -9.253 0.085 1.00 0.00 O ATOM 1161 CB VAL A 71 1.042 -6.155 0.513 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.309 -4.743 0.037 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.306 -6.238 1.192 1.00 0.00 C ATOM 0 H VAL A 71 -0.527 -6.144 -1.450 1.00 0.00 H new ATOM 0 HA VAL A 71 2.116 -7.039 -1.122 1.00 0.00 H new ATOM 0 HB VAL A 71 1.804 -6.426 1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.237 -4.055 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.309 -4.687 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.573 -4.469 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.343 -5.524 2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.091 -6.004 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.457 -7.246 1.578 1.00 0.00 H new ATOM 1173 N THR A 72 -0.254 -8.993 0.074 1.00 0.00 N ATOM 1174 CA THR A 72 -0.528 -10.328 0.583 1.00 0.00 C ATOM 1175 C THR A 72 0.030 -11.386 -0.374 1.00 0.00 C ATOM 1176 O THR A 72 0.410 -12.480 0.045 1.00 0.00 O ATOM 1177 CB THR A 72 -2.045 -10.532 0.816 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.286 -11.666 1.660 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.780 -10.717 -0.497 1.00 0.00 C ATOM 0 H THR A 72 -1.087 -8.435 -0.112 1.00 0.00 H new ATOM 0 HA THR A 72 -0.029 -10.439 1.546 1.00 0.00 H new ATOM 0 HB THR A 72 -2.421 -9.635 1.308 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.229 -11.682 1.925 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.843 -10.858 -0.302 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.639 -9.834 -1.120 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.387 -11.592 -1.014 1.00 0.00 H new ATOM 1187 N SER A 73 0.111 -11.039 -1.659 1.00 0.00 N ATOM 1188 CA SER A 73 0.710 -11.926 -2.649 1.00 0.00 C ATOM 1189 C SER A 73 2.215 -12.061 -2.401 1.00 0.00 C ATOM 1190 O SER A 73 2.825 -13.066 -2.752 1.00 0.00 O ATOM 1191 CB SER A 73 0.450 -11.407 -4.070 1.00 0.00 C ATOM 1192 OG SER A 73 1.454 -10.498 -4.491 1.00 0.00 O ATOM 0 H SER A 73 -0.230 -10.154 -2.035 1.00 0.00 H new ATOM 0 HA SER A 73 0.249 -12.909 -2.552 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.408 -12.248 -4.762 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.523 -10.916 -4.105 1.00 0.00 H new ATOM 0 HG SER A 73 1.534 -9.773 -3.836 1.00 0.00 H new ATOM 1198 N CYS A 74 2.801 -11.030 -1.798 1.00 0.00 N ATOM 1199 CA CYS A 74 4.231 -11.002 -1.509 1.00 0.00 C ATOM 1200 C CYS A 74 4.535 -11.574 -0.124 1.00 0.00 C ATOM 1201 O CYS A 74 5.436 -12.395 0.034 1.00 0.00 O ATOM 1202 CB CYS A 74 4.762 -9.574 -1.607 1.00 0.00 C ATOM 1203 SG CYS A 74 6.528 -9.426 -1.249 1.00 0.00 S ATOM 0 H CYS A 74 2.300 -10.194 -1.497 1.00 0.00 H new ATOM 0 HA CYS A 74 4.730 -11.626 -2.250 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.571 -9.193 -2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.206 -8.941 -0.915 1.00 0.00 H new ATOM 0 HG CYS A 74 7.143 -10.499 -1.648 1.00 0.00 H new ATOM 1209 N LEU A 75 3.801 -11.115 0.885 1.00 0.00 N ATOM 1210 CA LEU A 75 3.953 -11.622 2.246 1.00 0.00 C ATOM 1211 C LEU A 75 3.830 -13.141 2.268 1.00 0.00 C ATOM 1212 O LEU A 75 4.487 -13.822 3.056 1.00 0.00 O ATOM 1213 CB LEU A 75 2.887 -11.016 3.163 1.00 0.00 C ATOM 1214 CG LEU A 75 2.562 -9.557 2.902 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.339 -9.144 3.689 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.748 -8.692 3.266 1.00 0.00 C ATOM 0 H LEU A 75 3.091 -10.389 0.785 1.00 0.00 H new ATOM 0 HA LEU A 75 4.942 -11.337 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.971 -11.599 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.219 -11.118 4.196 1.00 0.00 H new ATOM 0 HG LEU A 75 2.347 -9.425 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.117 -8.095 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.489 -9.757 3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.528 -9.282 4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.507 -7.646 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.984 -8.824 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.608 -8.982 2.663 1.00 0.00 H new ATOM 1228 N ARG A 76 3.000 -13.667 1.378 1.00 0.00 N ATOM 1229 CA ARG A 76 2.735 -15.094 1.330 1.00 0.00 C ATOM 1230 C ARG A 76 3.475 -15.776 0.179 1.00 0.00 C ATOM 1231 O ARG A 76 3.370 -16.988 0.005 1.00 0.00 O ATOM 1232 CB ARG A 76 1.233 -15.323 1.223 1.00 0.00 C ATOM 1233 CG ARG A 76 0.480 -14.833 2.446 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.957 -14.480 2.121 1.00 0.00 C ATOM 1235 NE ARG A 76 -1.710 -15.601 1.563 1.00 0.00 N ATOM 1236 CZ ARG A 76 -2.893 -15.466 0.962 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -3.439 -14.259 0.832 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -3.525 -16.530 0.482 1.00 0.00 N ATOM 0 H ARG A 76 2.498 -13.122 0.677 1.00 0.00 H new ATOM 0 HA ARG A 76 3.107 -15.544 2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.853 -14.812 0.338 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.040 -16.387 1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.499 -15.603 3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.985 -13.959 2.857 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.453 -14.132 3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.970 -13.652 1.412 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.310 -16.536 1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.953 -13.438 1.192 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.344 -14.155 0.372 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.106 -17.456 0.572 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.430 -16.422 0.023 1.00 0.00 H new ATOM 1252 N LYS A 77 4.239 -14.993 -0.579 1.00 0.00 N ATOM 1253 CA LYS A 77 5.027 -15.511 -1.709 1.00 0.00 C ATOM 1254 C LYS A 77 6.098 -14.514 -2.149 1.00 0.00 C ATOM 1255 O LYS A 77 5.790 -13.362 -2.452 1.00 0.00 O ATOM 1256 CB LYS A 77 4.136 -15.831 -2.913 1.00 0.00 C ATOM 1257 CG LYS A 77 3.589 -17.244 -2.913 1.00 0.00 C ATOM 1258 CD LYS A 77 2.588 -17.455 -4.035 1.00 0.00 C ATOM 1259 CE LYS A 77 1.985 -18.847 -3.986 1.00 0.00 C ATOM 1260 NZ LYS A 77 1.276 -19.095 -2.703 1.00 0.00 N ATOM 0 H LYS A 77 4.333 -13.988 -0.434 1.00 0.00 H new ATOM 0 HA LYS A 77 5.505 -16.425 -1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.302 -15.129 -2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.707 -15.673 -3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.410 -17.953 -3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.112 -17.450 -1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.795 -16.711 -3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.079 -17.304 -4.996 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.289 -18.972 -4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.772 -19.589 -4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.633 -19.905 -2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.970 -19.303 -1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.728 -18.251 -2.440 1.00 0.00 H new ATOM 1274 N LYS A 78 7.349 -14.974 -2.208 1.00 0.00 N ATOM 1275 CA LYS A 78 8.462 -14.165 -2.705 1.00 0.00 C ATOM 1276 C LYS A 78 8.738 -12.950 -1.810 1.00 0.00 C ATOM 1277 O LYS A 78 8.225 -11.854 -2.054 1.00 0.00 O ATOM 1278 CB LYS A 78 8.148 -13.703 -4.128 1.00 0.00 C ATOM 1279 CG LYS A 78 9.265 -13.921 -5.131 1.00 0.00 C ATOM 1280 CD LYS A 78 10.567 -13.274 -4.699 1.00 0.00 C ATOM 1281 CE LYS A 78 11.561 -13.233 -5.846 1.00 0.00 C ATOM 1282 NZ LYS A 78 11.699 -14.554 -6.519 1.00 0.00 N ATOM 0 H LYS A 78 7.618 -15.913 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 78 9.360 -14.783 -2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.259 -14.228 -4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.903 -12.641 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.422 -14.991 -5.268 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.965 -13.517 -6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.374 -12.262 -4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.993 -13.829 -3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.242 -12.488 -6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.534 -12.915 -5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.543 -14.547 -7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.795 -15.301 -5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.856 -14.738 -7.099 1.00 0.00 H new ATOM 1296 N ARG A 79 9.567 -13.138 -0.787 1.00 0.00 N ATOM 1297 CA ARG A 79 9.931 -12.030 0.103 1.00 0.00 C ATOM 1298 C ARG A 79 11.432 -11.782 0.055 1.00 0.00 C ATOM 1299 O ARG A 79 12.034 -11.346 1.037 1.00 0.00 O ATOM 1300 CB ARG A 79 9.515 -12.272 1.568 1.00 0.00 C ATOM 1301 CG ARG A 79 8.119 -12.846 1.771 1.00 0.00 C ATOM 1302 CD ARG A 79 8.101 -14.351 1.564 1.00 0.00 C ATOM 1303 NE ARG A 79 6.878 -14.968 2.069 1.00 0.00 N ATOM 1304 CZ ARG A 79 6.543 -16.236 1.843 1.00 0.00 C ATOM 1305 NH1 ARG A 79 7.294 -16.998 1.057 1.00 0.00 N ATOM 1306 NH2 ARG A 79 5.452 -16.743 2.402 1.00 0.00 N ATOM 0 H ARG A 79 9.997 -14.033 -0.552 1.00 0.00 H new ATOM 0 HA ARG A 79 9.386 -11.158 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.237 -12.950 2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.581 -11.327 2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.771 -12.612 2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.425 -12.374 1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.203 -14.570 0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.962 -14.794 2.065 1.00 0.00 H new ATOM 0 HE ARG A 79 6.245 -14.395 2.626 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.133 -16.612 0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.032 -17.969 0.887 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.870 -16.161 3.005 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.195 -17.715 2.229 1.00 0.00 H new ATOM 1320 N LYS A 80 12.027 -12.044 -1.095 1.00 0.00 N ATOM 1321 CA LYS A 80 13.469 -11.902 -1.250 1.00 0.00 C ATOM 1322 C LYS A 80 13.850 -11.512 -2.685 1.00 0.00 C ATOM 1323 O LYS A 80 14.042 -12.376 -3.541 1.00 0.00 O ATOM 1324 CB LYS A 80 14.193 -13.193 -0.827 1.00 0.00 C ATOM 1325 CG LYS A 80 13.707 -14.464 -1.514 1.00 0.00 C ATOM 1326 CD LYS A 80 14.481 -15.678 -1.022 1.00 0.00 C ATOM 1327 CE LYS A 80 14.029 -16.959 -1.705 1.00 0.00 C ATOM 1328 NZ LYS A 80 14.346 -16.969 -3.158 1.00 0.00 N ATOM 0 H LYS A 80 11.538 -12.355 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 80 13.790 -11.093 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 80 15.258 -13.076 -1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.083 -13.316 0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.643 -14.603 -1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.824 -14.366 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.545 -15.527 -1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.352 -15.777 0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.509 -17.812 -1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.954 -17.080 -1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.160 -17.915 -3.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.752 -16.270 -3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.348 -16.729 -3.296 1.00 0.00 H new ATOM 1342 N PRO A 81 13.937 -10.198 -2.984 1.00 0.00 N ATOM 1343 CA PRO A 81 14.432 -9.727 -4.281 1.00 0.00 C ATOM 1344 C PRO A 81 15.938 -9.928 -4.410 1.00 0.00 C ATOM 1345 O PRO A 81 16.730 -9.024 -4.125 1.00 0.00 O ATOM 1346 CB PRO A 81 14.082 -8.239 -4.281 1.00 0.00 C ATOM 1347 CG PRO A 81 14.047 -7.862 -2.843 1.00 0.00 C ATOM 1348 CD PRO A 81 13.539 -9.073 -2.110 1.00 0.00 C ATOM 0 HA PRO A 81 13.992 -10.271 -5.117 1.00 0.00 H new ATOM 0 HB2 PRO A 81 14.826 -7.657 -4.825 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.121 -8.058 -4.762 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.039 -7.579 -2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 81 13.394 -7.005 -2.680 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.984 -9.158 -1.119 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.458 -9.035 -1.972 1.00 0.00 H new ATOM 1356 N GLN A 82 16.325 -11.124 -4.825 1.00 0.00 N ATOM 1357 CA GLN A 82 17.732 -11.489 -4.907 1.00 0.00 C ATOM 1358 C GLN A 82 18.060 -12.106 -6.261 1.00 0.00 C ATOM 1359 O GLN A 82 18.452 -11.409 -7.198 1.00 0.00 O ATOM 1360 CB GLN A 82 18.096 -12.477 -3.793 1.00 0.00 C ATOM 1361 CG GLN A 82 17.930 -11.919 -2.390 1.00 0.00 C ATOM 1362 CD GLN A 82 18.231 -12.939 -1.310 1.00 0.00 C ATOM 1363 OE1 GLN A 82 17.959 -14.206 -1.587 1.00 0.00 O flip ATOM 1364 NE2 GLN A 82 18.705 -12.591 -0.230 1.00 0.00 N flip ATOM 0 H GLN A 82 15.682 -11.862 -5.112 1.00 0.00 H new ATOM 0 HA GLN A 82 18.318 -10.578 -4.787 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.475 -13.367 -3.894 1.00 0.00 H new ATOM 0 HB3 GLN A 82 19.130 -12.793 -3.926 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.590 -11.060 -2.266 1.00 0.00 H new ATOM 0 HG3 GLN A 82 16.909 -11.557 -2.267 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.901 -11.606 -0.053 1.00 0.00 H new ATOM 0 HE22 GLN A 82 18.902 -13.287 0.489 1.00 0.00 H new ATOM 1373 N ALA A 83 17.870 -13.412 -6.362 1.00 0.00 N ATOM 1374 CA ALA A 83 18.198 -14.149 -7.568 1.00 0.00 C ATOM 1375 C ALA A 83 17.202 -15.278 -7.772 1.00 0.00 C ATOM 1376 O ALA A 83 17.156 -16.187 -6.916 1.00 0.00 O ATOM 1377 CB ALA A 83 19.616 -14.696 -7.487 1.00 0.00 C ATOM 1378 OXT ALA A 83 16.461 -15.250 -8.776 1.00 0.00 O ATOM 0 H ALA A 83 17.486 -13.987 -5.613 1.00 0.00 H new ATOM 0 HA ALA A 83 18.141 -13.473 -8.421 1.00 0.00 H new ATOM 0 HB1 ALA A 83 19.846 -15.246 -8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.319 -13.870 -7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 83 19.700 -15.364 -6.630 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N GLU B 201 -5.250 10.384 10.583 1.00 0.00 N ATOM 1386 CA GLU B 201 -5.567 9.184 11.389 1.00 0.00 C ATOM 1387 C GLU B 201 -4.537 8.085 11.133 1.00 0.00 C ATOM 1388 O GLU B 201 -3.624 7.878 11.930 1.00 0.00 O ATOM 1389 CB GLU B 201 -6.973 8.681 11.057 1.00 0.00 C ATOM 1390 CG GLU B 201 -7.436 7.542 11.946 1.00 0.00 C ATOM 1391 CD GLU B 201 -7.490 7.937 13.405 1.00 0.00 C ATOM 1392 OE1 GLU B 201 -6.462 7.809 14.102 1.00 0.00 O ATOM 1393 OE2 GLU B 201 -8.561 8.377 13.862 1.00 0.00 O ATOM 0 HA GLU B 201 -5.532 9.454 12.445 1.00 0.00 H new ATOM 0 HB2 GLU B 201 -7.676 9.509 11.146 1.00 0.00 H new ATOM 0 HB3 GLU B 201 -6.996 8.353 10.018 1.00 0.00 H new ATOM 0 HG2 GLU B 201 -8.424 7.212 11.625 1.00 0.00 H new ATOM 0 HG3 GLU B 201 -6.762 6.694 11.826 1.00 0.00 H new ATOM 1402 N ILE B 202 -4.678 7.387 10.013 1.00 0.00 N ATOM 1403 CA ILE B 202 -3.718 6.362 9.629 1.00 0.00 C ATOM 1404 C ILE B 202 -2.844 6.881 8.496 1.00 0.00 C ATOM 1405 O ILE B 202 -3.307 7.051 7.364 1.00 0.00 O ATOM 1406 CB ILE B 202 -4.411 5.050 9.191 1.00 0.00 C ATOM 1407 CG1 ILE B 202 -5.252 4.475 10.334 1.00 0.00 C ATOM 1408 CG2 ILE B 202 -3.377 4.027 8.730 1.00 0.00 C ATOM 1409 CD1 ILE B 202 -4.442 4.082 11.553 1.00 0.00 C ATOM 0 H ILE B 202 -5.448 7.513 9.356 1.00 0.00 H new ATOM 0 HA ILE B 202 -3.108 6.137 10.503 1.00 0.00 H new ATOM 0 HB ILE B 202 -5.073 5.277 8.355 1.00 0.00 H new ATOM 0 HG12 ILE B 202 -6.000 5.212 10.628 1.00 0.00 H new ATOM 0 HG13 ILE B 202 -5.792 3.600 9.971 1.00 0.00 H new ATOM 0 HG21 ILE B 202 -3.883 3.111 8.426 1.00 0.00 H new ATOM 0 HG22 ILE B 202 -2.817 4.430 7.886 1.00 0.00 H new ATOM 0 HG23 ILE B 202 -2.691 3.808 9.549 1.00 0.00 H new ATOM 0 HD11 ILE B 202 -5.107 3.684 12.319 1.00 0.00 H new ATOM 0 HD12 ILE B 202 -3.712 3.322 11.275 1.00 0.00 H new ATOM 0 HD13 ILE B 202 -3.923 4.958 11.943 1.00 0.00 H new ATOM 1421 N LYS B 203 -1.591 7.163 8.815 1.00 0.00 N ATOM 1422 CA LYS B 203 -0.654 7.693 7.839 1.00 0.00 C ATOM 1423 C LYS B 203 0.474 6.700 7.606 1.00 0.00 C ATOM 1424 O LYS B 203 0.940 6.049 8.545 1.00 0.00 O ATOM 1425 CB LYS B 203 -0.076 9.025 8.326 1.00 0.00 C ATOM 1426 CG LYS B 203 -1.135 10.055 8.701 1.00 0.00 C ATOM 1427 CD LYS B 203 -0.513 11.402 9.035 1.00 0.00 C ATOM 1428 CE LYS B 203 0.305 11.341 10.315 1.00 0.00 C ATOM 1429 NZ LYS B 203 1.032 12.611 10.572 1.00 0.00 N ATOM 0 H LYS B 203 -1.198 7.033 9.747 1.00 0.00 H new ATOM 0 HA LYS B 203 -1.185 7.859 6.902 1.00 0.00 H new ATOM 0 HB2 LYS B 203 0.560 8.840 9.192 1.00 0.00 H new ATOM 0 HB3 LYS B 203 0.561 9.441 7.546 1.00 0.00 H new ATOM 0 HG2 LYS B 203 -1.837 10.173 7.876 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -1.706 9.695 9.557 1.00 0.00 H new ATOM 0 HD2 LYS B 203 0.124 11.723 8.211 1.00 0.00 H new ATOM 0 HD3 LYS B 203 -1.299 12.150 9.141 1.00 0.00 H new ATOM 0 HE2 LYS B 203 -0.353 11.124 11.156 1.00 0.00 H new ATOM 0 HE3 LYS B 203 1.020 10.521 10.250 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 1.577 12.527 11.454 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 1.680 12.806 9.782 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 0.349 13.390 10.660 1.00 0.00 H new ATOM 1443 N LEU B 204 0.907 6.575 6.360 1.00 0.00 N ATOM 1444 CA LEU B 204 2.003 5.678 6.029 1.00 0.00 C ATOM 1445 C LEU B 204 3.084 6.430 5.264 1.00 0.00 C ATOM 1446 O LEU B 204 2.951 6.684 4.068 1.00 0.00 O ATOM 1447 CB LEU B 204 1.515 4.497 5.184 1.00 0.00 C ATOM 1448 CG LEU B 204 2.139 3.128 5.513 1.00 0.00 C ATOM 1449 CD1 LEU B 204 1.813 2.121 4.423 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.647 3.219 5.714 1.00 0.00 C ATOM 0 H LEU B 204 0.518 7.081 5.565 1.00 0.00 H new ATOM 0 HA LEU B 204 2.413 5.294 6.963 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.434 4.418 5.297 1.00 0.00 H new ATOM 0 HB3 LEU B 204 1.711 4.721 4.135 1.00 0.00 H new ATOM 0 HG LEU B 204 1.704 2.791 6.454 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.261 1.159 4.671 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.732 2.008 4.344 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.212 2.473 3.472 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.044 2.230 5.944 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.113 3.594 4.803 1.00 0.00 H new ATOM 0 HD23 LEU B 204 3.864 3.898 6.539 1.00 0.00 H new ATOM 1462 N LYS B 205 4.142 6.794 5.962 1.00 0.00 N ATOM 1463 CA LYS B 205 5.304 7.385 5.326 1.00 0.00 C ATOM 1464 C LYS B 205 6.257 6.288 4.884 1.00 0.00 C ATOM 1465 O LYS B 205 7.251 6.022 5.560 1.00 0.00 O ATOM 1466 CB LYS B 205 6.030 8.324 6.294 1.00 0.00 C ATOM 1467 CG LYS B 205 5.314 9.637 6.556 1.00 0.00 C ATOM 1468 CD LYS B 205 5.295 10.516 5.318 1.00 0.00 C ATOM 1469 CE LYS B 205 4.899 11.940 5.659 1.00 0.00 C ATOM 1470 NZ LYS B 205 3.592 12.008 6.370 1.00 0.00 N ATOM 0 H LYS B 205 4.221 6.690 6.974 1.00 0.00 H new ATOM 0 HA LYS B 205 4.971 7.958 4.461 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.172 7.807 7.243 1.00 0.00 H new ATOM 0 HB3 LYS B 205 7.022 8.539 5.896 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.292 9.438 6.878 1.00 0.00 H new ATOM 0 HG3 LYS B 205 5.808 10.166 7.372 1.00 0.00 H new ATOM 0 HD2 LYS B 205 6.280 10.512 4.851 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.596 10.106 4.589 1.00 0.00 H new ATOM 0 HE2 LYS B 205 5.672 12.391 6.281 1.00 0.00 H new ATOM 0 HE3 LYS B 205 4.843 12.528 4.743 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 3.241 12.987 6.358 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 2.906 11.388 5.895 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 3.716 11.697 7.355 1.00 0.00 H new ATOM 1484 N ILE B 206 5.956 5.621 3.772 1.00 0.00 N ATOM 1485 CA ILE B 206 6.840 4.564 3.312 1.00 0.00 C ATOM 1486 C ILE B 206 8.149 5.168 2.818 1.00 0.00 C ATOM 1487 O ILE B 206 8.181 5.833 1.778 1.00 0.00 O ATOM 1488 CB ILE B 206 6.280 3.687 2.166 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.770 3.503 2.195 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.912 2.322 2.272 1.00 0.00 C ATOM 1491 CD1 ILE B 206 4.227 2.836 0.944 1.00 0.00 C ATOM 0 H ILE B 206 5.134 5.788 3.192 1.00 0.00 H new ATOM 0 HA ILE B 206 6.969 3.917 4.180 1.00 0.00 H new ATOM 0 HB ILE B 206 6.517 4.202 1.235 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.500 2.905 3.065 1.00 0.00 H new ATOM 0 HG13 ILE B 206 4.294 4.476 2.317 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.534 1.683 1.474 1.00 0.00 H new ATOM 0 HG22 ILE B 206 7.994 2.414 2.181 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.666 1.881 3.238 1.00 0.00 H new ATOM 0 HD11 ILE B 206 3.145 2.734 1.027 1.00 0.00 H new ATOM 0 HD12 ILE B 206 4.468 3.445 0.073 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.677 1.850 0.833 1.00 0.00 H new ATOM 1503 N THR B 207 9.217 4.951 3.560 1.00 0.00 N ATOM 1504 CA THR B 207 10.529 5.404 3.146 1.00 0.00 C ATOM 1505 C THR B 207 11.250 4.306 2.373 1.00 0.00 C ATOM 1506 O THR B 207 11.473 3.213 2.894 1.00 0.00 O ATOM 1507 CB THR B 207 11.362 5.851 4.359 1.00 0.00 C ATOM 1508 OG1 THR B 207 11.047 5.035 5.498 1.00 0.00 O ATOM 1509 CG2 THR B 207 11.091 7.312 4.681 1.00 0.00 C ATOM 0 H THR B 207 9.201 4.462 4.455 1.00 0.00 H new ATOM 0 HA THR B 207 10.403 6.264 2.489 1.00 0.00 H new ATOM 0 HB THR B 207 12.418 5.736 4.116 1.00 0.00 H new ATOM 0 HG1 THR B 207 11.583 5.324 6.266 1.00 0.00 H new ATOM 0 HG21 THR B 207 11.689 7.612 5.542 1.00 0.00 H new ATOM 0 HG22 THR B 207 11.356 7.929 3.823 1.00 0.00 H new ATOM 0 HG23 THR B 207 10.033 7.444 4.910 1.00 0.00 H new ATOM 1517 N LYS B 208 11.596 4.604 1.123 1.00 0.00 N ATOM 1518 CA LYS B 208 12.178 3.613 0.221 1.00 0.00 C ATOM 1519 C LYS B 208 12.461 4.235 -1.144 1.00 0.00 C ATOM 1520 O LYS B 208 12.136 5.404 -1.358 1.00 0.00 O ATOM 1521 CB LYS B 208 11.249 2.402 0.041 1.00 0.00 C ATOM 1522 CG LYS B 208 10.115 2.616 -0.955 1.00 0.00 C ATOM 1523 CD LYS B 208 8.906 3.314 -0.348 1.00 0.00 C ATOM 1524 CE LYS B 208 8.613 4.641 -1.026 1.00 0.00 C ATOM 1525 NZ LYS B 208 9.538 5.709 -0.579 1.00 0.00 N ATOM 0 H LYS B 208 11.483 5.530 0.710 1.00 0.00 H new ATOM 0 HA LYS B 208 13.111 3.273 0.671 1.00 0.00 H new ATOM 0 HB2 LYS B 208 11.844 1.549 -0.284 1.00 0.00 H new ATOM 0 HB3 LYS B 208 10.821 2.142 1.009 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.484 3.206 -1.794 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.806 1.651 -1.356 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.034 2.665 -0.430 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.080 3.481 0.715 1.00 0.00 H new ATOM 0 HE2 LYS B 208 8.692 4.521 -2.106 1.00 0.00 H new ATOM 0 HE3 LYS B 208 7.586 4.938 -0.813 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 9.261 6.612 -1.014 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 9.494 5.795 0.456 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 10.509 5.470 -0.866 1.00 0.00 H new ATOM 1539 N THR B 209 13.023 3.426 -2.056 1.00 0.00 N ATOM 1540 CA THR B 209 13.353 3.834 -3.431 1.00 0.00 C ATOM 1541 C THR B 209 13.924 5.253 -3.495 1.00 0.00 C ATOM 1542 O THR B 209 13.325 6.166 -4.070 1.00 0.00 O ATOM 1543 CB THR B 209 12.161 3.664 -4.430 1.00 0.00 C ATOM 1544 OG1 THR B 209 12.554 4.085 -5.743 1.00 0.00 O ATOM 1545 CG2 THR B 209 10.911 4.435 -4.017 1.00 0.00 C ATOM 0 H THR B 209 13.265 2.455 -1.856 1.00 0.00 H new ATOM 0 HA THR B 209 14.134 3.145 -3.754 1.00 0.00 H new ATOM 0 HB THR B 209 11.908 2.604 -4.422 1.00 0.00 H new ATOM 0 HG1 THR B 209 11.802 3.973 -6.361 1.00 0.00 H new ATOM 0 HG21 THR B 209 10.124 4.273 -4.753 1.00 0.00 H new ATOM 0 HG22 THR B 209 10.573 4.085 -3.042 1.00 0.00 H new ATOM 0 HG23 THR B 209 11.142 5.499 -3.961 1.00 0.00 H new ATOM 1553 N ILE B 210 15.103 5.415 -2.908 1.00 0.00 N ATOM 1554 CA ILE B 210 15.791 6.695 -2.887 1.00 0.00 C ATOM 1555 C ILE B 210 16.070 7.181 -4.306 1.00 0.00 C ATOM 1556 O ILE B 210 16.651 6.462 -5.121 1.00 0.00 O ATOM 1557 CB ILE B 210 17.120 6.599 -2.107 1.00 0.00 C ATOM 1558 CG1 ILE B 210 16.858 6.115 -0.676 1.00 0.00 C ATOM 1559 CG2 ILE B 210 17.836 7.944 -2.093 1.00 0.00 C ATOM 1560 CD1 ILE B 210 18.117 5.901 0.136 1.00 0.00 C ATOM 0 H ILE B 210 15.606 4.664 -2.435 1.00 0.00 H new ATOM 0 HA ILE B 210 15.139 7.409 -2.384 1.00 0.00 H new ATOM 0 HB ILE B 210 17.764 5.877 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE B 210 16.227 6.843 -0.166 1.00 0.00 H new ATOM 0 HG13 ILE B 210 16.299 5.180 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE B 210 18.770 7.853 -1.538 1.00 0.00 H new ATOM 0 HG22 ILE B 210 18.050 8.253 -3.116 1.00 0.00 H new ATOM 0 HG23 ILE B 210 17.201 8.689 -1.615 1.00 0.00 H new ATOM 0 HD11 ILE B 210 17.851 5.559 1.136 1.00 0.00 H new ATOM 0 HD12 ILE B 210 18.740 5.151 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE B 210 18.668 6.839 0.208 1.00 0.00 H new ATOM 1572 N GLN B 211 15.632 8.393 -4.599 1.00 0.00 N ATOM 1573 CA GLN B 211 15.839 8.996 -5.901 1.00 0.00 C ATOM 1574 C GLN B 211 16.461 10.377 -5.743 1.00 0.00 C ATOM 1575 O GLN B 211 17.522 10.663 -6.303 1.00 0.00 O ATOM 1576 CB GLN B 211 14.513 9.095 -6.660 1.00 0.00 C ATOM 1577 CG GLN B 211 14.666 9.621 -8.077 1.00 0.00 C ATOM 1578 CD GLN B 211 13.360 9.643 -8.846 1.00 0.00 C ATOM 1579 OE1 GLN B 211 12.256 9.853 -8.148 1.00 0.00 O flip ATOM 1580 NE2 GLN B 211 13.344 9.485 -10.067 1.00 0.00 N flip ATOM 0 H GLN B 211 15.124 8.985 -3.941 1.00 0.00 H new ATOM 0 HA GLN B 211 16.519 8.366 -6.475 1.00 0.00 H new ATOM 0 HB2 GLN B 211 14.048 8.110 -6.694 1.00 0.00 H new ATOM 0 HB3 GLN B 211 13.836 9.748 -6.109 1.00 0.00 H new ATOM 0 HG2 GLN B 211 15.077 10.630 -8.042 1.00 0.00 H new ATOM 0 HG3 GLN B 211 15.386 9.002 -8.612 1.00 0.00 H new ATOM 0 HE21 GLN B 211 14.216 9.325 -10.572 1.00 0.00 H new ATOM 0 HE22 GLN B 211 12.459 9.514 -10.573 1.00 0.00 H new ATOM 1589 N ASN B 212 15.812 11.219 -4.953 1.00 0.00 N ATOM 1590 CA ASN B 212 16.290 12.573 -4.720 1.00 0.00 C ATOM 1591 C ASN B 212 16.208 12.896 -3.235 1.00 0.00 C ATOM 1592 O ASN B 212 17.160 12.556 -2.503 1.00 0.00 O ATOM 1593 CB ASN B 212 15.471 13.582 -5.533 1.00 0.00 C ATOM 1594 CG ASN B 212 16.000 15.003 -5.415 1.00 0.00 C ATOM 1595 OD1 ASN B 212 16.862 15.424 -6.188 1.00 0.00 O ATOM 1596 ND2 ASN B 212 15.482 15.755 -4.455 1.00 0.00 N ATOM 1597 OXT ASN B 212 15.180 13.458 -2.800 1.00 0.00 O ATOM 0 H ASN B 212 14.949 10.987 -4.461 1.00 0.00 H new ATOM 0 HA ASN B 212 17.329 12.641 -5.043 1.00 0.00 H new ATOM 0 HB2 ASN B 212 15.474 13.284 -6.582 1.00 0.00 H new ATOM 0 HB3 ASN B 212 14.434 13.556 -5.197 1.00 0.00 H new ATOM 0 HD21 ASN B 212 15.795 16.718 -4.337 1.00 0.00 H new ATOM 0 HD22 ASN B 212 14.770 15.371 -3.834 1.00 0.00 H new TER 1604 ASN B 212