USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 898 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 26 ASN : amide:sc= -1.28 K(o=-1.7,f=0.63) USER MOD Set 1.2: A 29 GLN : amide:sc= -0.449 K(o=-1.7,f=-2.7!) USER MOD Set 2.1: A 25 THR OG1 : rot 162:sc= 1.02 USER MOD Set 2.2: A 117 TYR OH : rot 180:sc= 0.863 USER MOD Set 3.1: A 7 THR OG1 : rot -74:sc= 1.46 USER MOD Set 3.2: A 9 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 3 MET CE :methyl -175:sc= 0 (180deg=-0.0324) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -103:sc= 1.26 (180deg=-0.15) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.063) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0508 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.019) USER MOD Single : A 37 TYR OH : rot 168:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 135:sc= 1.26 (180deg=0.817) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 157:sc= 1.42 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.0874 K(o=0.087,f=-2.5!) USER MOD Single : A 79 LYS NZ :NH3+ 125:sc= 1.27 (180deg=0.203) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.611 K(o=0.61,f=-0.28) USER MOD Single : A 89 LYS NZ :NH3+ -176:sc= 0.324 (180deg=0.255) USER MOD Single : A 99 LYS NZ :NH3+ 132:sc= 1.24 (180deg=0.292) USER MOD Single : A 100 MET CE :methyl -175:sc= -0.958 (180deg=-1.38) USER MOD Single : A 103 SER OG : rot 180:sc= -0.179 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc=-5.35e-05 X(o=-5.3e-05,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 40 N MET A 3 12.191 -2.335 -8.322 1.00 0.00 N ATOM 41 CA MET A 3 11.853 -3.578 -7.630 1.00 0.00 C ATOM 42 C MET A 3 10.352 -3.536 -7.333 1.00 0.00 C ATOM 43 O MET A 3 9.788 -2.447 -7.245 1.00 0.00 O ATOM 44 CB MET A 3 12.687 -3.621 -6.332 1.00 0.00 C ATOM 45 CG MET A 3 12.413 -4.823 -5.426 1.00 0.00 C ATOM 46 SD MET A 3 13.165 -4.779 -3.778 1.00 0.00 S ATOM 47 CE MET A 3 14.919 -4.620 -4.184 1.00 0.00 C ATOM 0 HA MET A 3 12.072 -4.469 -8.219 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.744 -3.619 -6.597 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.498 -2.709 -5.766 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.334 -4.922 -5.306 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.761 -5.721 -5.936 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.510 -4.670 -3.270 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.213 -5.430 -4.851 1.00 0.00 H new ATOM 0 HE3 MET A 3 15.093 -3.663 -4.676 1.00 0.00 H new ATOM 57 N LYS A 4 9.673 -4.662 -7.088 1.00 0.00 N ATOM 58 CA LYS A 4 8.415 -4.607 -6.353 1.00 0.00 C ATOM 59 C LYS A 4 8.347 -5.713 -5.315 1.00 0.00 C ATOM 60 O LYS A 4 8.421 -6.888 -5.674 1.00 0.00 O ATOM 61 CB LYS A 4 7.187 -4.543 -7.277 1.00 0.00 C ATOM 62 CG LYS A 4 6.920 -5.765 -8.177 1.00 0.00 C ATOM 63 CD LYS A 4 6.968 -5.414 -9.666 1.00 0.00 C ATOM 64 CE LYS A 4 8.377 -4.948 -10.027 1.00 0.00 C ATOM 65 NZ LYS A 4 8.529 -4.704 -11.464 1.00 0.00 N ATOM 0 H LYS A 4 9.966 -5.594 -7.380 1.00 0.00 H new ATOM 0 HA LYS A 4 8.389 -3.665 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.305 -4.381 -6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.291 -3.667 -7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.659 -6.538 -7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.943 -6.184 -7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.694 -6.282 -10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.244 -4.631 -9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.607 -4.034 -9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.099 -5.700 -9.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.500 -4.390 -11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.336 -5.582 -11.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.859 -3.967 -11.764 1.00 0.00 H new ATOM 79 N LYS A 5 8.280 -5.358 -4.031 1.00 0.00 N ATOM 80 CA LYS A 5 8.075 -6.338 -2.961 1.00 0.00 C ATOM 81 C LYS A 5 6.719 -6.168 -2.272 1.00 0.00 C ATOM 82 O LYS A 5 5.913 -5.333 -2.680 1.00 0.00 O ATOM 83 CB LYS A 5 9.280 -6.306 -2.020 1.00 0.00 C ATOM 84 CG LYS A 5 10.456 -7.074 -2.638 1.00 0.00 C ATOM 85 CD LYS A 5 11.598 -7.081 -1.633 1.00 0.00 C ATOM 86 CE LYS A 5 12.824 -7.835 -2.138 1.00 0.00 C ATOM 87 NZ LYS A 5 13.955 -7.581 -1.232 1.00 0.00 N ATOM 0 H LYS A 5 8.365 -4.395 -3.705 1.00 0.00 H new ATOM 0 HA LYS A 5 8.022 -7.342 -3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.572 -5.274 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.013 -6.747 -1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.158 -8.094 -2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.771 -6.602 -3.569 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.879 -6.054 -1.401 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.255 -7.535 -0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.614 -8.904 -2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.073 -7.513 -3.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.601 -6.892 -1.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.600 -7.202 -0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.465 -8.470 -1.056 1.00 0.00 H new ATOM 101 N TYR A 6 6.447 -7.014 -1.281 1.00 0.00 N ATOM 102 CA TYR A 6 5.171 -7.183 -0.589 1.00 0.00 C ATOM 103 C TYR A 6 5.366 -7.154 0.927 1.00 0.00 C ATOM 104 O TYR A 6 6.490 -7.231 1.414 1.00 0.00 O ATOM 105 CB TYR A 6 4.574 -8.531 -1.007 1.00 0.00 C ATOM 106 CG TYR A 6 4.148 -8.586 -2.457 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.092 -8.878 -3.458 1.00 0.00 C ATOM 108 CD2 TYR A 6 2.815 -8.307 -2.802 1.00 0.00 C ATOM 109 CE1 TYR A 6 4.711 -8.860 -4.810 1.00 0.00 C ATOM 110 CE2 TYR A 6 2.418 -8.334 -4.149 1.00 0.00 C ATOM 111 CZ TYR A 6 3.366 -8.599 -5.164 1.00 0.00 C ATOM 112 OH TYR A 6 2.975 -8.622 -6.468 1.00 0.00 O ATOM 0 H TYR A 6 7.162 -7.643 -0.915 1.00 0.00 H new ATOM 0 HA TYR A 6 4.501 -6.366 -0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.308 -9.316 -0.824 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.712 -8.747 -0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.110 -9.116 -3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.096 -8.072 -2.032 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.445 -9.046 -5.580 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.386 -8.152 -4.410 1.00 0.00 H new ATOM 0 HH TYR A 6 2.017 -8.421 -6.526 1.00 0.00 H new ATOM 122 N THR A 7 4.277 -7.105 1.689 1.00 0.00 N ATOM 123 CA THR A 7 4.260 -7.077 3.144 1.00 0.00 C ATOM 124 C THR A 7 3.540 -8.324 3.661 1.00 0.00 C ATOM 125 O THR A 7 3.097 -9.180 2.886 1.00 0.00 O ATOM 126 CB THR A 7 3.521 -5.806 3.597 1.00 0.00 C ATOM 127 OG1 THR A 7 2.220 -5.849 3.062 1.00 0.00 O ATOM 128 CG2 THR A 7 4.197 -4.504 3.166 1.00 0.00 C ATOM 0 H THR A 7 3.340 -7.083 1.288 1.00 0.00 H new ATOM 0 HA THR A 7 5.275 -7.068 3.541 1.00 0.00 H new ATOM 0 HB THR A 7 3.523 -5.800 4.687 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.254 -5.652 2.103 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.614 -3.655 3.524 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.201 -4.458 3.588 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.258 -4.469 2.078 1.00 0.00 H new ATOM 136 N LYS A 8 3.350 -8.381 4.976 1.00 0.00 N ATOM 137 CA LYS A 8 2.407 -9.273 5.644 1.00 0.00 C ATOM 138 C LYS A 8 1.178 -8.528 6.172 1.00 0.00 C ATOM 139 O LYS A 8 0.391 -9.142 6.890 1.00 0.00 O ATOM 140 CB LYS A 8 3.121 -10.121 6.712 1.00 0.00 C ATOM 141 CG LYS A 8 4.146 -11.045 6.040 1.00 0.00 C ATOM 142 CD LYS A 8 4.625 -12.229 6.889 1.00 0.00 C ATOM 143 CE LYS A 8 5.846 -11.869 7.730 1.00 0.00 C ATOM 144 NZ LYS A 8 6.555 -13.073 8.211 1.00 0.00 N ATOM 0 H LYS A 8 3.865 -7.788 5.627 1.00 0.00 H new ATOM 0 HA LYS A 8 2.015 -9.970 4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.619 -9.472 7.432 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.393 -10.713 7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.710 -11.433 5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.014 -10.450 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.817 -12.557 7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.868 -13.068 6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.528 -11.258 7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.535 -11.265 8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.378 -12.787 8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.912 -13.644 8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.874 -13.636 7.397 1.00 0.00 H new ATOM 158 N THR A 9 0.969 -7.259 5.809 1.00 0.00 N ATOM 159 CA THR A 9 -0.221 -6.480 6.163 1.00 0.00 C ATOM 160 C THR A 9 -1.157 -6.312 4.955 1.00 0.00 C ATOM 161 O THR A 9 -2.072 -5.490 4.981 1.00 0.00 O ATOM 162 CB THR A 9 0.198 -5.149 6.813 1.00 0.00 C ATOM 163 OG1 THR A 9 1.098 -4.450 5.972 1.00 0.00 O ATOM 164 CG2 THR A 9 0.900 -5.406 8.153 1.00 0.00 C ATOM 0 H THR A 9 1.638 -6.733 5.248 1.00 0.00 H new ATOM 0 HA THR A 9 -0.805 -7.023 6.906 1.00 0.00 H new ATOM 0 HB THR A 9 -0.704 -4.557 6.970 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.594 -3.873 5.361 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.190 -4.455 8.600 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.221 -5.931 8.825 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.789 -6.015 7.987 1.00 0.00 H new ATOM 172 N HIS A 10 -0.989 -7.147 3.917 1.00 0.00 N ATOM 173 CA HIS A 10 -1.805 -7.217 2.706 1.00 0.00 C ATOM 174 C HIS A 10 -1.554 -6.007 1.790 1.00 0.00 C ATOM 175 O HIS A 10 -2.497 -5.459 1.228 1.00 0.00 O ATOM 176 CB HIS A 10 -3.302 -7.447 3.029 1.00 0.00 C ATOM 177 CG HIS A 10 -3.623 -8.356 4.196 1.00 0.00 C ATOM 178 ND1 HIS A 10 -3.676 -9.738 4.181 1.00 0.00 N ATOM 179 CD2 HIS A 10 -4.001 -7.937 5.441 1.00 0.00 C ATOM 180 CE1 HIS A 10 -4.088 -10.146 5.395 1.00 0.00 C ATOM 181 NE2 HIS A 10 -4.270 -9.071 6.186 1.00 0.00 N ATOM 0 H HIS A 10 -0.232 -7.831 3.906 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.491 -8.095 2.141 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.760 -6.477 3.220 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.781 -7.856 2.140 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.076 -6.914 5.779 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.248 -11.173 5.689 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.557 -9.090 7.165 1.00 0.00 H new ATOM 190 N GLU A 11 -0.293 -5.597 1.615 1.00 0.00 N ATOM 191 CA GLU A 11 0.134 -4.445 0.811 1.00 0.00 C ATOM 192 C GLU A 11 1.288 -4.827 -0.120 1.00 0.00 C ATOM 193 O GLU A 11 2.220 -5.528 0.295 1.00 0.00 O ATOM 194 CB GLU A 11 0.555 -3.266 1.709 1.00 0.00 C ATOM 195 CG GLU A 11 -0.596 -2.673 2.527 1.00 0.00 C ATOM 196 CD GLU A 11 -0.088 -1.909 3.751 1.00 0.00 C ATOM 197 OE1 GLU A 11 0.456 -0.796 3.550 1.00 0.00 O ATOM 198 OE2 GLU A 11 -0.284 -2.432 4.878 1.00 0.00 O ATOM 0 H GLU A 11 0.493 -6.080 2.049 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.718 -4.134 0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.338 -3.601 2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.987 -2.483 1.086 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.182 -2.003 1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.263 -3.473 2.849 1.00 0.00 H new ATOM 205 N TRP A 12 1.250 -4.325 -1.359 1.00 0.00 N ATOM 206 CA TRP A 12 2.323 -4.414 -2.352 1.00 0.00 C ATOM 207 C TRP A 12 3.052 -3.068 -2.443 1.00 0.00 C ATOM 208 O TRP A 12 2.564 -2.050 -1.949 1.00 0.00 O ATOM 209 CB TRP A 12 1.748 -4.813 -3.718 1.00 0.00 C ATOM 210 CG TRP A 12 0.725 -3.861 -4.254 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.606 -3.964 -4.050 1.00 0.00 C ATOM 212 CD2 TRP A 12 0.921 -2.619 -5.003 1.00 0.00 C ATOM 213 NE1 TRP A 12 -1.237 -2.866 -4.586 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.343 -1.977 -5.136 1.00 0.00 C ATOM 215 CE3 TRP A 12 2.027 -1.958 -5.583 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.504 -0.732 -5.762 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.867 -0.726 -6.245 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.612 -0.104 -6.323 1.00 0.00 C ATOM 0 H TRP A 12 0.434 -3.824 -1.711 1.00 0.00 H new ATOM 0 HA TRP A 12 3.036 -5.180 -2.046 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.565 -4.892 -4.435 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.299 -5.803 -3.636 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -1.098 -4.782 -3.544 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.247 -2.727 -4.577 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.008 -2.404 -5.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.477 -0.265 -5.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.724 -0.252 -6.700 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.509 0.853 -6.813 1.00 0.00 H new ATOM 229 N VAL A 13 4.241 -3.065 -3.051 1.00 0.00 N ATOM 230 CA VAL A 13 5.189 -1.959 -2.988 1.00 0.00 C ATOM 231 C VAL A 13 5.956 -1.908 -4.316 1.00 0.00 C ATOM 232 O VAL A 13 6.867 -2.701 -4.518 1.00 0.00 O ATOM 233 CB VAL A 13 6.153 -2.155 -1.781 1.00 0.00 C ATOM 234 CG1 VAL A 13 6.754 -0.812 -1.369 1.00 0.00 C ATOM 235 CG2 VAL A 13 5.514 -2.788 -0.528 1.00 0.00 C ATOM 0 H VAL A 13 4.575 -3.849 -3.611 1.00 0.00 H new ATOM 0 HA VAL A 13 4.668 -1.013 -2.840 1.00 0.00 H new ATOM 0 HB VAL A 13 6.907 -2.855 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.427 -0.958 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.309 -0.390 -2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.955 -0.128 -1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.266 -2.882 0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.700 -2.155 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.124 -3.775 -0.777 1.00 0.00 H new ATOM 245 N SER A 14 5.594 -1.031 -5.255 1.00 0.00 N ATOM 246 CA SER A 14 6.339 -0.812 -6.499 1.00 0.00 C ATOM 247 C SER A 14 7.439 0.220 -6.292 1.00 0.00 C ATOM 248 O SER A 14 7.189 1.406 -6.477 1.00 0.00 O ATOM 249 CB SER A 14 5.425 -0.246 -7.582 1.00 0.00 C ATOM 250 OG SER A 14 4.960 -1.241 -8.477 1.00 0.00 O ATOM 0 H SER A 14 4.764 -0.444 -5.172 1.00 0.00 H new ATOM 0 HA SER A 14 6.751 -1.777 -6.794 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.571 0.243 -7.113 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.962 0.519 -8.142 1.00 0.00 H new ATOM 0 HG SER A 14 4.378 -0.830 -9.150 1.00 0.00 H new ATOM 256 N ILE A 15 8.653 -0.187 -5.948 1.00 0.00 N ATOM 257 CA ILE A 15 9.806 0.701 -5.922 1.00 0.00 C ATOM 258 C ILE A 15 10.194 1.005 -7.368 1.00 0.00 C ATOM 259 O ILE A 15 10.516 0.105 -8.147 1.00 0.00 O ATOM 260 CB ILE A 15 10.957 0.085 -5.108 1.00 0.00 C ATOM 261 CG1 ILE A 15 10.516 -0.183 -3.653 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.187 1.012 -5.122 1.00 0.00 C ATOM 263 CD1 ILE A 15 9.975 -1.596 -3.409 1.00 0.00 C ATOM 0 H ILE A 15 8.866 -1.147 -5.678 1.00 0.00 H new ATOM 0 HA ILE A 15 9.564 1.637 -5.420 1.00 0.00 H new ATOM 0 HB ILE A 15 11.226 -0.864 -5.571 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.365 -0.012 -2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.748 0.540 -3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.990 0.559 -4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.520 1.159 -6.149 1.00 0.00 H new ATOM 0 HG23 ILE A 15 11.922 1.975 -4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.688 -1.700 -2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.105 -1.767 -4.043 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.747 -2.327 -3.648 1.00 0.00 H new ATOM 275 N GLU A 16 10.148 2.276 -7.745 1.00 0.00 N ATOM 276 CA GLU A 16 10.600 2.747 -9.043 1.00 0.00 C ATOM 277 C GLU A 16 12.017 3.292 -8.884 1.00 0.00 C ATOM 278 O GLU A 16 12.976 2.614 -9.261 1.00 0.00 O ATOM 279 CB GLU A 16 9.568 3.693 -9.682 1.00 0.00 C ATOM 280 CG GLU A 16 8.975 4.815 -8.816 1.00 0.00 C ATOM 281 CD GLU A 16 8.044 5.669 -9.674 1.00 0.00 C ATOM 282 OE1 GLU A 16 8.574 6.534 -10.404 1.00 0.00 O ATOM 283 OE2 GLU A 16 6.808 5.449 -9.638 1.00 0.00 O ATOM 0 H GLU A 16 9.789 3.019 -7.146 1.00 0.00 H new ATOM 0 HA GLU A 16 10.667 1.938 -9.770 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.035 4.156 -10.552 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.742 3.084 -10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.427 4.391 -7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.773 5.430 -8.400 1.00 0.00 H new ATOM 290 N ASP A 17 12.184 4.456 -8.260 1.00 0.00 N ATOM 291 CA ASP A 17 13.493 5.087 -8.111 1.00 0.00 C ATOM 292 C ASP A 17 13.839 5.168 -6.632 1.00 0.00 C ATOM 293 O ASP A 17 14.058 4.132 -6.010 1.00 0.00 O ATOM 294 CB ASP A 17 13.513 6.421 -8.880 1.00 0.00 C ATOM 295 CG ASP A 17 14.926 6.803 -9.315 1.00 0.00 C ATOM 296 OD1 ASP A 17 15.574 5.960 -9.964 1.00 0.00 O ATOM 297 OD2 ASP A 17 15.348 7.960 -9.056 1.00 0.00 O ATOM 0 H ASP A 17 11.418 4.987 -7.845 1.00 0.00 H new ATOM 0 HA ASP A 17 14.289 4.495 -8.562 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.871 6.345 -9.757 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.101 7.210 -8.251 1.00 0.00 H new ATOM 302 N LYS A 18 13.760 6.356 -6.038 1.00 0.00 N ATOM 303 CA LYS A 18 13.773 6.561 -4.589 1.00 0.00 C ATOM 304 C LYS A 18 12.352 6.617 -4.040 1.00 0.00 C ATOM 305 O LYS A 18 12.172 7.039 -2.905 1.00 0.00 O ATOM 306 CB LYS A 18 14.556 7.842 -4.233 1.00 0.00 C ATOM 307 CG LYS A 18 16.022 7.830 -4.692 1.00 0.00 C ATOM 308 CD LYS A 18 16.836 8.937 -3.997 1.00 0.00 C ATOM 309 CE LYS A 18 18.345 8.761 -4.203 1.00 0.00 C ATOM 310 NZ LYS A 18 18.814 9.256 -5.512 1.00 0.00 N ATOM 0 H LYS A 18 13.683 7.227 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 18 14.278 5.714 -4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.053 8.699 -4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.526 7.985 -3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.465 6.858 -4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.068 7.966 -5.773 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.529 9.909 -4.384 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.614 8.934 -2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.877 9.287 -3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 18 18.597 7.705 -4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 19.841 9.109 -5.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.331 8.737 -6.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.602 10.271 -5.596 1.00 0.00 H new ATOM 324 N VAL A 19 11.339 6.209 -4.804 1.00 0.00 N ATOM 325 CA VAL A 19 9.943 6.219 -4.391 1.00 0.00 C ATOM 326 C VAL A 19 9.376 4.825 -4.647 1.00 0.00 C ATOM 327 O VAL A 19 9.841 4.122 -5.551 1.00 0.00 O ATOM 328 CB VAL A 19 9.207 7.362 -5.132 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.681 7.322 -4.990 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.674 8.728 -4.610 1.00 0.00 C ATOM 0 H VAL A 19 11.474 5.854 -5.751 1.00 0.00 H new ATOM 0 HA VAL A 19 9.815 6.427 -3.329 1.00 0.00 H new ATOM 0 HB VAL A 19 9.456 7.217 -6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.243 8.156 -5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.302 6.383 -5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.411 7.398 -3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.147 9.520 -5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.461 8.802 -3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.747 8.833 -4.774 1.00 0.00 H new ATOM 340 N ALA A 20 8.369 4.440 -3.860 1.00 0.00 N ATOM 341 CA ALA A 20 7.522 3.282 -4.072 1.00 0.00 C ATOM 342 C ALA A 20 6.076 3.746 -4.132 1.00 0.00 C ATOM 343 O ALA A 20 5.649 4.548 -3.296 1.00 0.00 O ATOM 344 CB ALA A 20 7.708 2.266 -2.941 1.00 0.00 C ATOM 0 H ALA A 20 8.116 4.958 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 20 7.794 2.794 -5.008 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.065 1.404 -3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.748 1.942 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.444 2.728 -1.990 1.00 0.00 H new ATOM 350 N THR A 21 5.319 3.203 -5.080 1.00 0.00 N ATOM 351 CA THR A 21 3.864 3.215 -5.012 1.00 0.00 C ATOM 352 C THR A 21 3.447 2.124 -4.028 1.00 0.00 C ATOM 353 O THR A 21 4.028 1.033 -4.065 1.00 0.00 O ATOM 354 CB THR A 21 3.247 2.960 -6.402 1.00 0.00 C ATOM 355 OG1 THR A 21 3.901 3.683 -7.429 1.00 0.00 O ATOM 356 CG2 THR A 21 1.763 3.320 -6.428 1.00 0.00 C ATOM 0 H THR A 21 5.694 2.746 -5.911 1.00 0.00 H new ATOM 0 HA THR A 21 3.507 4.189 -4.679 1.00 0.00 H new ATOM 0 HB THR A 21 3.375 1.894 -6.588 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.475 3.487 -8.289 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.359 3.128 -7.422 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.229 2.714 -5.696 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.640 4.375 -6.184 1.00 0.00 H new ATOM 364 N VAL A 22 2.463 2.399 -3.172 1.00 0.00 N ATOM 365 CA VAL A 22 1.836 1.411 -2.313 1.00 0.00 C ATOM 366 C VAL A 22 0.336 1.315 -2.643 1.00 0.00 C ATOM 367 O VAL A 22 -0.326 2.323 -2.911 1.00 0.00 O ATOM 368 CB VAL A 22 2.070 1.807 -0.843 1.00 0.00 C ATOM 369 CG1 VAL A 22 1.811 0.603 0.075 1.00 0.00 C ATOM 370 CG2 VAL A 22 3.487 2.346 -0.557 1.00 0.00 C ATOM 0 H VAL A 22 2.076 3.336 -3.059 1.00 0.00 H new ATOM 0 HA VAL A 22 2.275 0.427 -2.479 1.00 0.00 H new ATOM 0 HB VAL A 22 1.369 2.617 -0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.979 0.893 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.781 0.268 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.489 -0.208 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.572 2.603 0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.224 1.582 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.667 3.235 -1.162 1.00 0.00 H new ATOM 380 N GLY A 23 -0.205 0.100 -2.566 1.00 0.00 N ATOM 381 CA GLY A 23 -1.629 -0.194 -2.510 1.00 0.00 C ATOM 382 C GLY A 23 -1.816 -1.468 -1.684 1.00 0.00 C ATOM 383 O GLY A 23 -0.849 -2.201 -1.432 1.00 0.00 O ATOM 0 H GLY A 23 0.368 -0.743 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.172 0.636 -2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.030 -0.329 -3.514 1.00 0.00 H new ATOM 387 N ILE A 24 -3.050 -1.761 -1.264 1.00 0.00 N ATOM 388 CA ILE A 24 -3.348 -3.070 -0.689 1.00 0.00 C ATOM 389 C ILE A 24 -3.453 -4.112 -1.810 1.00 0.00 C ATOM 390 O ILE A 24 -3.634 -3.769 -2.974 1.00 0.00 O ATOM 391 CB ILE A 24 -4.575 -3.061 0.243 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.826 -2.430 -0.387 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.206 -2.366 1.557 1.00 0.00 C ATOM 394 CD1 ILE A 24 -7.138 -2.845 0.300 1.00 0.00 C ATOM 0 H ILE A 24 -3.843 -1.121 -1.311 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.520 -3.349 -0.038 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.845 -4.100 0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.733 -1.345 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.873 -2.709 -1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.071 -2.357 2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.388 -2.904 2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.896 -1.341 1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.978 -2.361 -0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.254 -3.927 0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.113 -2.541 1.346 1.00 0.00 H new ATOM 406 N THR A 25 -3.316 -5.394 -1.481 1.00 0.00 N ATOM 407 CA THR A 25 -3.382 -6.494 -2.436 1.00 0.00 C ATOM 408 C THR A 25 -4.833 -6.923 -2.693 1.00 0.00 C ATOM 409 O THR A 25 -5.757 -6.578 -1.949 1.00 0.00 O ATOM 410 CB THR A 25 -2.520 -7.662 -1.919 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.870 -8.059 -0.608 1.00 0.00 O ATOM 412 CG2 THR A 25 -1.032 -7.294 -1.932 1.00 0.00 C ATOM 0 H THR A 25 -3.153 -5.702 -0.523 1.00 0.00 H new ATOM 0 HA THR A 25 -2.985 -6.164 -3.396 1.00 0.00 H new ATOM 0 HB THR A 25 -2.710 -8.495 -2.596 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.517 -8.956 -0.433 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.446 -8.135 -1.562 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.725 -7.057 -2.951 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.866 -6.427 -1.292 1.00 0.00 H new ATOM 420 N ASN A 26 -5.063 -7.722 -3.740 1.00 0.00 N ATOM 421 CA ASN A 26 -6.385 -8.276 -4.034 1.00 0.00 C ATOM 422 C ASN A 26 -6.935 -9.072 -2.838 1.00 0.00 C ATOM 423 O ASN A 26 -8.128 -8.999 -2.548 1.00 0.00 O ATOM 424 CB ASN A 26 -6.371 -9.138 -5.309 1.00 0.00 C ATOM 425 CG ASN A 26 -7.133 -8.498 -6.467 1.00 0.00 C ATOM 426 OD1 ASN A 26 -6.522 -8.081 -7.441 1.00 0.00 O ATOM 427 ND2 ASN A 26 -8.450 -8.372 -6.403 1.00 0.00 N ATOM 0 H ASN A 26 -4.340 -8.001 -4.404 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.054 -7.434 -4.215 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.339 -9.312 -5.612 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.807 -10.112 -5.088 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.957 -7.926 -7.167 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.957 -8.721 -5.589 1.00 0.00 H new ATOM 434 N HIS A 27 -6.082 -9.762 -2.073 1.00 0.00 N ATOM 435 CA HIS A 27 -6.502 -10.466 -0.855 1.00 0.00 C ATOM 436 C HIS A 27 -7.150 -9.532 0.176 1.00 0.00 C ATOM 437 O HIS A 27 -7.885 -9.985 1.051 1.00 0.00 O ATOM 438 CB HIS A 27 -5.295 -11.192 -0.249 1.00 0.00 C ATOM 439 CG HIS A 27 -5.616 -12.260 0.772 1.00 0.00 C ATOM 440 ND1 HIS A 27 -5.700 -13.618 0.514 1.00 0.00 N ATOM 441 CD2 HIS A 27 -5.738 -12.073 2.122 1.00 0.00 C ATOM 442 CE1 HIS A 27 -5.834 -14.245 1.699 1.00 0.00 C ATOM 443 NE2 HIS A 27 -5.812 -13.334 2.690 1.00 0.00 N ATOM 0 H HIS A 27 -5.087 -9.848 -2.278 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.268 -11.189 -1.134 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.725 -11.649 -1.058 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.646 -10.451 0.219 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.770 -11.127 2.643 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.942 -15.311 1.833 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.844 -13.538 3.689 1.00 0.00 H new ATOM 452 N ALA A 28 -6.867 -8.231 0.140 1.00 0.00 N ATOM 453 CA ALA A 28 -7.425 -7.267 1.075 1.00 0.00 C ATOM 454 C ALA A 28 -8.791 -6.782 0.620 1.00 0.00 C ATOM 455 O ALA A 28 -9.721 -6.820 1.424 1.00 0.00 O ATOM 456 CB ALA A 28 -6.457 -6.109 1.201 1.00 0.00 C ATOM 0 H ALA A 28 -6.237 -7.817 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.565 -7.743 2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.858 -5.374 1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.499 -6.474 1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.317 -5.644 0.225 1.00 0.00 H new ATOM 462 N GLN A 29 -8.945 -6.354 -0.644 1.00 0.00 N ATOM 463 CA GLN A 29 -10.250 -5.907 -1.143 1.00 0.00 C ATOM 464 C GLN A 29 -11.309 -7.000 -0.960 1.00 0.00 C ATOM 465 O GLN A 29 -12.455 -6.686 -0.663 1.00 0.00 O ATOM 466 CB GLN A 29 -10.170 -5.353 -2.573 1.00 0.00 C ATOM 467 CG GLN A 29 -9.680 -6.292 -3.671 1.00 0.00 C ATOM 468 CD GLN A 29 -10.719 -7.298 -4.133 1.00 0.00 C ATOM 469 OE1 GLN A 29 -11.799 -6.966 -4.591 1.00 0.00 O ATOM 470 NE2 GLN A 29 -10.418 -8.573 -3.999 1.00 0.00 N ATOM 0 H GLN A 29 -8.191 -6.309 -1.329 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.573 -5.061 -0.536 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.163 -5.000 -2.852 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.514 -4.482 -2.559 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.359 -5.698 -4.527 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.804 -6.830 -3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.513 -8.846 -3.615 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.090 -9.288 -4.279 1.00 0.00 H new ATOM 479 N GLU A 30 -10.899 -8.274 -0.971 1.00 0.00 N ATOM 480 CA GLU A 30 -11.732 -9.440 -0.709 1.00 0.00 C ATOM 481 C GLU A 30 -12.450 -9.381 0.648 1.00 0.00 C ATOM 482 O GLU A 30 -13.482 -10.031 0.790 1.00 0.00 O ATOM 483 CB GLU A 30 -10.835 -10.691 -0.808 1.00 0.00 C ATOM 484 CG GLU A 30 -11.165 -11.541 -2.042 1.00 0.00 C ATOM 485 CD GLU A 30 -10.158 -12.662 -2.317 1.00 0.00 C ATOM 486 OE1 GLU A 30 -8.940 -12.478 -2.096 1.00 0.00 O ATOM 487 OE2 GLU A 30 -10.559 -13.736 -2.814 1.00 0.00 O ATOM 0 H GLU A 30 -9.931 -8.525 -1.173 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.529 -9.472 -1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.790 -10.385 -0.848 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.956 -11.295 0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.155 -11.980 -1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.216 -10.890 -2.915 1.00 0.00 H new ATOM 494 N GLN A 31 -11.943 -8.614 1.622 1.00 0.00 N ATOM 495 CA GLN A 31 -12.539 -8.437 2.944 1.00 0.00 C ATOM 496 C GLN A 31 -13.125 -7.035 3.148 1.00 0.00 C ATOM 497 O GLN A 31 -13.800 -6.810 4.158 1.00 0.00 O ATOM 498 CB GLN A 31 -11.490 -8.704 4.038 1.00 0.00 C ATOM 499 CG GLN A 31 -10.861 -10.101 4.016 1.00 0.00 C ATOM 500 CD GLN A 31 -11.877 -11.238 4.122 1.00 0.00 C ATOM 501 OE1 GLN A 31 -11.838 -12.201 3.356 1.00 0.00 O ATOM 502 NE2 GLN A 31 -12.795 -11.180 5.077 1.00 0.00 N ATOM 0 H GLN A 31 -11.079 -8.085 1.503 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.357 -9.154 3.015 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.695 -7.964 3.944 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.956 -8.549 5.011 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.293 -10.219 3.093 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.151 -10.183 4.839 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.823 -10.380 5.709 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.473 -11.935 5.179 1.00 0.00 H new ATOM 511 N LEU A 32 -12.843 -6.075 2.257 1.00 0.00 N ATOM 512 CA LEU A 32 -13.475 -4.757 2.295 1.00 0.00 C ATOM 513 C LEU A 32 -14.785 -4.757 1.517 1.00 0.00 C ATOM 514 O LEU A 32 -15.760 -4.190 2.010 1.00 0.00 O ATOM 515 CB LEU A 32 -12.545 -3.658 1.760 1.00 0.00 C ATOM 516 CG LEU A 32 -11.482 -3.227 2.788 1.00 0.00 C ATOM 517 CD1 LEU A 32 -10.083 -3.329 2.189 1.00 0.00 C ATOM 518 CD2 LEU A 32 -11.715 -1.806 3.309 1.00 0.00 C ATOM 0 H LEU A 32 -12.174 -6.192 1.496 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.685 -4.537 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.048 -4.015 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.141 -2.791 1.474 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.570 -3.910 3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.346 -3.020 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.889 -4.360 1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.013 -2.680 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.939 -1.551 4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.682 -1.103 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.691 -1.751 3.792 1.00 0.00 H new ATOM 530 N GLY A 33 -14.814 -5.362 0.331 1.00 0.00 N ATOM 531 CA GLY A 33 -15.941 -5.255 -0.575 1.00 0.00 C ATOM 532 C GLY A 33 -16.102 -3.822 -1.079 1.00 0.00 C ATOM 533 O GLY A 33 -15.125 -3.079 -1.243 1.00 0.00 O ATOM 0 H GLY A 33 -14.052 -5.940 -0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.798 -5.928 -1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.852 -5.570 -0.067 1.00 0.00 H new ATOM 537 N ASP A 34 -17.352 -3.458 -1.360 1.00 0.00 N ATOM 538 CA ASP A 34 -17.739 -2.185 -1.962 1.00 0.00 C ATOM 539 C ASP A 34 -17.240 -1.037 -1.079 1.00 0.00 C ATOM 540 O ASP A 34 -17.650 -0.930 0.081 1.00 0.00 O ATOM 541 CB ASP A 34 -19.263 -2.151 -2.145 1.00 0.00 C ATOM 542 CG ASP A 34 -19.754 -1.125 -3.166 1.00 0.00 C ATOM 543 OD1 ASP A 34 -18.998 -0.794 -4.105 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.953 -0.756 -3.141 1.00 0.00 O ATOM 0 H ASP A 34 -18.150 -4.063 -1.168 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.284 -2.072 -2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.602 -3.141 -2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.728 -1.938 -1.182 1.00 0.00 H new ATOM 549 N VAL A 35 -16.308 -0.210 -1.566 1.00 0.00 N ATOM 550 CA VAL A 35 -15.791 0.909 -0.781 1.00 0.00 C ATOM 551 C VAL A 35 -16.359 2.226 -1.297 1.00 0.00 C ATOM 552 O VAL A 35 -17.074 2.328 -2.296 1.00 0.00 O ATOM 553 CB VAL A 35 -14.277 0.811 -0.513 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.272 0.963 -1.612 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.811 1.562 0.736 1.00 0.00 C ATOM 0 H VAL A 35 -15.900 -0.297 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.165 0.858 0.242 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.266 -0.268 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.267 0.859 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.438 0.194 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.378 1.947 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.734 1.442 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.049 2.621 0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.317 1.159 1.613 1.00 0.00 H new ATOM 565 N VAL A 36 -16.135 3.222 -0.473 1.00 0.00 N ATOM 566 CA VAL A 36 -16.985 4.366 -0.269 1.00 0.00 C ATOM 567 C VAL A 36 -16.135 5.457 0.363 1.00 0.00 C ATOM 568 O VAL A 36 -16.404 6.621 0.081 1.00 0.00 O ATOM 569 CB VAL A 36 -18.166 4.015 0.664 1.00 0.00 C ATOM 570 CG1 VAL A 36 -19.399 3.588 -0.134 1.00 0.00 C ATOM 571 CG2 VAL A 36 -17.898 2.920 1.702 1.00 0.00 C ATOM 0 H VAL A 36 -15.299 3.255 0.110 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.403 4.696 -1.220 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.327 4.946 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -20.211 3.348 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -19.707 4.402 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -19.159 2.710 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.795 2.758 2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.629 1.994 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -17.079 3.228 2.353 1.00 0.00 H new ATOM 581 N TYR A 37 -15.118 5.102 1.161 1.00 0.00 N ATOM 582 CA TYR A 37 -14.137 6.080 1.610 1.00 0.00 C ATOM 583 C TYR A 37 -12.762 5.436 1.816 1.00 0.00 C ATOM 584 O TYR A 37 -12.667 4.233 2.067 1.00 0.00 O ATOM 585 CB TYR A 37 -14.625 6.784 2.886 1.00 0.00 C ATOM 586 CG TYR A 37 -13.699 7.925 3.248 1.00 0.00 C ATOM 587 CD1 TYR A 37 -13.514 9.004 2.362 1.00 0.00 C ATOM 588 CD2 TYR A 37 -12.870 7.796 4.370 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.476 9.926 2.582 1.00 0.00 C ATOM 590 CE2 TYR A 37 -11.822 8.701 4.592 1.00 0.00 C ATOM 591 CZ TYR A 37 -11.614 9.769 3.692 1.00 0.00 C ATOM 592 OH TYR A 37 -10.548 10.598 3.855 1.00 0.00 O ATOM 0 H TYR A 37 -14.960 4.154 1.502 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.025 6.833 0.830 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.636 7.162 2.736 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.670 6.070 3.708 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.170 9.123 1.513 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -13.040 6.992 5.071 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.337 10.754 1.903 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.176 8.581 5.449 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.172 10.475 4.752 1.00 0.00 H new ATOM 602 N VAL A 38 -11.709 6.244 1.692 1.00 0.00 N ATOM 603 CA VAL A 38 -10.305 5.885 1.805 1.00 0.00 C ATOM 604 C VAL A 38 -9.606 7.069 2.439 1.00 0.00 C ATOM 605 O VAL A 38 -9.601 8.170 1.878 1.00 0.00 O ATOM 606 CB VAL A 38 -9.721 5.572 0.407 1.00 0.00 C ATOM 607 CG1 VAL A 38 -8.204 5.343 0.448 1.00 0.00 C ATOM 608 CG2 VAL A 38 -10.365 4.422 -0.382 1.00 0.00 C ATOM 0 H VAL A 38 -11.829 7.238 1.496 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.168 4.991 2.413 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.972 6.482 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.841 5.127 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.711 6.238 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.981 4.501 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.860 4.311 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.273 3.496 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.419 4.642 -0.550 1.00 0.00 H new ATOM 618 N ASP A 39 -9.020 6.833 3.606 1.00 0.00 N ATOM 619 CA ASP A 39 -8.200 7.809 4.268 1.00 0.00 C ATOM 620 C ASP A 39 -6.901 7.998 3.465 1.00 0.00 C ATOM 621 O ASP A 39 -6.318 7.035 2.945 1.00 0.00 O ATOM 622 CB ASP A 39 -7.926 7.347 5.710 1.00 0.00 C ATOM 623 CG ASP A 39 -6.847 8.172 6.402 1.00 0.00 C ATOM 624 OD1 ASP A 39 -7.057 9.399 6.566 1.00 0.00 O ATOM 625 OD2 ASP A 39 -5.801 7.584 6.775 1.00 0.00 O ATOM 0 H ASP A 39 -9.108 5.952 4.113 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.707 8.772 4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.849 7.408 6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.625 6.300 5.700 1.00 0.00 H new ATOM 630 N LEU A 40 -6.428 9.241 3.345 1.00 0.00 N ATOM 631 CA LEU A 40 -5.200 9.584 2.637 1.00 0.00 C ATOM 632 C LEU A 40 -4.339 10.444 3.571 1.00 0.00 C ATOM 633 O LEU A 40 -4.877 11.334 4.240 1.00 0.00 O ATOM 634 CB LEU A 40 -5.491 10.312 1.309 1.00 0.00 C ATOM 635 CG LEU A 40 -6.328 9.554 0.247 1.00 0.00 C ATOM 636 CD1 LEU A 40 -6.702 10.520 -0.883 1.00 0.00 C ATOM 637 CD2 LEU A 40 -5.611 8.347 -0.383 1.00 0.00 C ATOM 0 H LEU A 40 -6.900 10.051 3.747 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.664 8.673 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.007 11.244 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.537 10.581 0.856 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.201 9.171 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.291 9.992 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.287 11.345 -0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.794 10.910 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.267 7.875 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.699 8.683 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.358 7.627 0.395 1.00 0.00 H new ATOM 649 N PRO A 41 -3.022 10.193 3.648 1.00 0.00 N ATOM 650 CA PRO A 41 -2.095 10.938 4.490 1.00 0.00 C ATOM 651 C PRO A 41 -1.731 12.285 3.863 1.00 0.00 C ATOM 652 O PRO A 41 -2.303 12.695 2.854 1.00 0.00 O ATOM 653 CB PRO A 41 -0.880 10.020 4.639 1.00 0.00 C ATOM 654 CG PRO A 41 -0.893 9.139 3.391 1.00 0.00 C ATOM 655 CD PRO A 41 -2.331 9.156 2.906 1.00 0.00 C ATOM 0 HA PRO A 41 -2.526 11.189 5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.043 10.595 4.706 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.948 9.420 5.546 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.216 9.526 2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.567 8.125 3.622 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.373 9.356 1.835 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.803 8.187 3.068 1.00 0.00 H new ATOM 663 N GLU A 42 -0.776 12.990 4.468 1.00 0.00 N ATOM 664 CA GLU A 42 -0.189 14.190 3.906 1.00 0.00 C ATOM 665 C GLU A 42 1.009 13.875 3.020 1.00 0.00 C ATOM 666 O GLU A 42 1.730 12.911 3.281 1.00 0.00 O ATOM 667 CB GLU A 42 0.284 15.086 5.056 1.00 0.00 C ATOM 668 CG GLU A 42 -0.520 16.374 5.040 1.00 0.00 C ATOM 669 CD GLU A 42 -1.775 16.304 5.907 1.00 0.00 C ATOM 670 OE1 GLU A 42 -2.745 15.622 5.519 1.00 0.00 O ATOM 671 OE2 GLU A 42 -1.779 16.998 6.958 1.00 0.00 O ATOM 0 H GLU A 42 -0.387 12.734 5.376 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.946 14.684 3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.156 14.574 6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.347 15.304 4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.110 17.193 5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.806 16.605 4.014 1.00 0.00 H new ATOM 678 N VAL A 43 1.324 14.780 2.088 1.00 0.00 N ATOM 679 CA VAL A 43 2.341 14.621 1.035 1.00 0.00 C ATOM 680 C VAL A 43 3.789 14.768 1.555 1.00 0.00 C ATOM 681 O VAL A 43 4.747 14.937 0.806 1.00 0.00 O ATOM 682 CB VAL A 43 1.982 15.587 -0.125 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.691 16.942 -0.037 1.00 0.00 C ATOM 684 CG2 VAL A 43 2.266 14.972 -1.492 1.00 0.00 C ATOM 0 H VAL A 43 0.858 15.686 2.042 1.00 0.00 H new ATOM 0 HA VAL A 43 2.323 13.598 0.658 1.00 0.00 H new ATOM 0 HB VAL A 43 0.911 15.759 -0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.392 17.565 -0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.416 17.437 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.770 16.790 -0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.000 15.684 -2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.326 14.729 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.676 14.064 -1.612 1.00 0.00 H new ATOM 694 N GLY A 44 3.955 14.733 2.867 1.00 0.00 N ATOM 695 CA GLY A 44 5.213 14.859 3.587 1.00 0.00 C ATOM 696 C GLY A 44 5.160 14.150 4.937 1.00 0.00 C ATOM 697 O GLY A 44 6.000 14.399 5.802 1.00 0.00 O ATOM 0 H GLY A 44 3.164 14.608 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.020 14.440 2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.443 15.914 3.738 1.00 0.00 H new ATOM 701 N ARG A 45 4.142 13.315 5.177 1.00 0.00 N ATOM 702 CA ARG A 45 4.021 12.576 6.429 1.00 0.00 C ATOM 703 C ARG A 45 5.179 11.592 6.486 1.00 0.00 C ATOM 704 O ARG A 45 5.323 10.768 5.586 1.00 0.00 O ATOM 705 CB ARG A 45 2.643 11.903 6.492 1.00 0.00 C ATOM 706 CG ARG A 45 2.368 11.201 7.836 1.00 0.00 C ATOM 707 CD ARG A 45 0.849 11.117 8.039 1.00 0.00 C ATOM 708 NE ARG A 45 0.431 10.632 9.365 1.00 0.00 N ATOM 709 CZ ARG A 45 0.509 11.288 10.528 1.00 0.00 C ATOM 710 NH1 ARG A 45 1.041 12.509 10.592 1.00 0.00 N ATOM 711 NH2 ARG A 45 0.074 10.700 11.632 1.00 0.00 N ATOM 0 H ARG A 45 3.388 13.137 4.513 1.00 0.00 H new ATOM 0 HA ARG A 45 4.081 13.225 7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.872 12.653 6.317 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.566 11.173 5.686 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.806 10.203 7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.830 11.754 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.419 12.106 7.877 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.430 10.459 7.278 1.00 0.00 H new ATOM 0 HE ARG A 45 0.038 9.691 9.401 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.396 12.956 9.746 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.093 12.996 11.487 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.315 9.758 11.589 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.128 11.189 12.525 1.00 0.00 H new ATOM 725 N GLU A 46 6.039 11.693 7.491 1.00 0.00 N ATOM 726 CA GLU A 46 7.098 10.717 7.692 1.00 0.00 C ATOM 727 C GLU A 46 6.443 9.477 8.308 1.00 0.00 C ATOM 728 O GLU A 46 5.491 9.610 9.087 1.00 0.00 O ATOM 729 CB GLU A 46 8.200 11.347 8.555 1.00 0.00 C ATOM 730 CG GLU A 46 8.997 12.327 7.681 1.00 0.00 C ATOM 731 CD GLU A 46 10.308 12.819 8.292 1.00 0.00 C ATOM 732 OE1 GLU A 46 11.281 12.030 8.377 1.00 0.00 O ATOM 733 OE2 GLU A 46 10.418 14.032 8.589 1.00 0.00 O ATOM 0 H GLU A 46 6.022 12.444 8.181 1.00 0.00 H new ATOM 0 HA GLU A 46 7.588 10.412 6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.764 11.867 9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.857 10.575 8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.216 11.845 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.368 13.191 7.464 1.00 0.00 H new ATOM 740 N VAL A 47 6.876 8.278 7.922 1.00 0.00 N ATOM 741 CA VAL A 47 6.227 7.023 8.281 1.00 0.00 C ATOM 742 C VAL A 47 7.276 5.952 8.597 1.00 0.00 C ATOM 743 O VAL A 47 8.419 6.007 8.133 1.00 0.00 O ATOM 744 CB VAL A 47 5.246 6.585 7.164 1.00 0.00 C ATOM 745 CG1 VAL A 47 4.130 7.624 6.961 1.00 0.00 C ATOM 746 CG2 VAL A 47 5.911 6.328 5.802 1.00 0.00 C ATOM 0 H VAL A 47 7.704 8.152 7.340 1.00 0.00 H new ATOM 0 HA VAL A 47 5.636 7.167 9.186 1.00 0.00 H new ATOM 0 HB VAL A 47 4.839 5.638 7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.459 7.287 6.171 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.569 7.741 7.888 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.570 8.581 6.680 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.154 6.026 5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.399 7.240 5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.653 5.536 5.903 1.00 0.00 H new ATOM 756 N LYS A 48 6.870 4.944 9.366 1.00 0.00 N ATOM 757 CA LYS A 48 7.594 3.699 9.580 1.00 0.00 C ATOM 758 C LYS A 48 6.925 2.583 8.794 1.00 0.00 C ATOM 759 O LYS A 48 5.788 2.723 8.349 1.00 0.00 O ATOM 760 CB LYS A 48 7.591 3.365 11.078 1.00 0.00 C ATOM 761 CG LYS A 48 8.612 4.179 11.875 1.00 0.00 C ATOM 762 CD LYS A 48 10.069 3.904 11.472 1.00 0.00 C ATOM 763 CE LYS A 48 11.015 4.350 12.585 1.00 0.00 C ATOM 764 NZ LYS A 48 12.437 4.197 12.224 1.00 0.00 N ATOM 0 H LYS A 48 5.988 4.977 9.878 1.00 0.00 H new ATOM 0 HA LYS A 48 8.624 3.805 9.238 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.595 3.546 11.483 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.800 2.303 11.208 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.401 5.240 11.742 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.490 3.960 12.936 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.205 2.841 11.273 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.305 4.434 10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.817 5.394 12.827 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.809 3.770 13.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.032 4.515 13.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.638 3.197 12.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.645 4.771 11.382 1.00 0.00 H new ATOM 778 N LYS A 49 7.582 1.427 8.744 1.00 0.00 N ATOM 779 CA LYS A 49 7.106 0.199 8.108 1.00 0.00 C ATOM 780 C LYS A 49 5.870 -0.457 8.730 1.00 0.00 C ATOM 781 O LYS A 49 5.584 -1.626 8.464 1.00 0.00 O ATOM 782 CB LYS A 49 8.260 -0.792 8.077 1.00 0.00 C ATOM 783 CG LYS A 49 8.687 -1.298 9.470 1.00 0.00 C ATOM 784 CD LYS A 49 9.165 -2.745 9.329 1.00 0.00 C ATOM 785 CE LYS A 49 9.844 -3.262 10.600 1.00 0.00 C ATOM 786 NZ LYS A 49 10.274 -4.660 10.410 1.00 0.00 N ATOM 0 H LYS A 49 8.504 1.315 9.165 1.00 0.00 H new ATOM 0 HA LYS A 49 6.770 0.490 7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.976 -1.646 7.462 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.117 -0.322 7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.483 -0.673 9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.852 -1.240 10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.315 -3.384 9.089 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.862 -2.815 8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.704 -2.638 10.842 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.155 -3.196 11.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.241 -4.778 10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.631 -5.294 10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.253 -4.895 9.397 1.00 0.00 H new ATOM 800 N GLY A 50 5.169 0.258 9.591 1.00 0.00 N ATOM 801 CA GLY A 50 3.944 -0.188 10.225 1.00 0.00 C ATOM 802 C GLY A 50 3.054 0.975 10.641 1.00 0.00 C ATOM 803 O GLY A 50 2.304 0.875 11.615 1.00 0.00 O ATOM 0 H GLY A 50 5.447 1.197 9.877 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.397 -0.835 9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.188 -0.788 11.102 1.00 0.00 H new ATOM 807 N GLU A 51 3.179 2.112 9.965 1.00 0.00 N ATOM 808 CA GLU A 51 2.418 3.315 10.258 1.00 0.00 C ATOM 809 C GLU A 51 1.051 3.207 9.589 1.00 0.00 C ATOM 810 O GLU A 51 0.993 2.977 8.382 1.00 0.00 O ATOM 811 CB GLU A 51 3.219 4.522 9.748 1.00 0.00 C ATOM 812 CG GLU A 51 3.294 5.636 10.779 1.00 0.00 C ATOM 813 CD GLU A 51 4.178 5.257 11.966 1.00 0.00 C ATOM 814 OE1 GLU A 51 3.712 4.569 12.900 1.00 0.00 O ATOM 815 OE2 GLU A 51 5.348 5.714 11.983 1.00 0.00 O ATOM 0 H GLU A 51 3.825 2.222 9.184 1.00 0.00 H new ATOM 0 HA GLU A 51 2.254 3.439 11.328 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.228 4.203 9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.759 4.903 8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.684 6.539 10.310 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.290 5.870 11.134 1.00 0.00 H new ATOM 822 N VAL A 52 -0.037 3.346 10.346 1.00 0.00 N ATOM 823 CA VAL A 52 -1.379 3.392 9.772 1.00 0.00 C ATOM 824 C VAL A 52 -1.615 4.816 9.298 1.00 0.00 C ATOM 825 O VAL A 52 -1.688 5.724 10.128 1.00 0.00 O ATOM 826 CB VAL A 52 -2.463 2.917 10.750 1.00 0.00 C ATOM 827 CG1 VAL A 52 -3.854 3.027 10.108 1.00 0.00 C ATOM 828 CG2 VAL A 52 -2.195 1.469 11.146 1.00 0.00 C ATOM 0 H VAL A 52 -0.013 3.429 11.362 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.446 2.697 8.935 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.436 3.551 11.636 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.609 2.686 10.816 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.050 4.065 9.840 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.891 2.408 9.212 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.965 1.133 11.840 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.209 0.840 10.256 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.219 1.398 11.625 1.00 0.00 H new ATOM 838 N VAL A 53 -1.641 5.016 7.985 1.00 0.00 N ATOM 839 CA VAL A 53 -1.666 6.338 7.363 1.00 0.00 C ATOM 840 C VAL A 53 -2.616 6.380 6.165 1.00 0.00 C ATOM 841 O VAL A 53 -2.565 7.317 5.377 1.00 0.00 O ATOM 842 CB VAL A 53 -0.225 6.753 6.988 1.00 0.00 C ATOM 843 CG1 VAL A 53 0.656 6.957 8.222 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.447 5.754 6.032 1.00 0.00 C ATOM 0 H VAL A 53 -1.645 4.252 7.310 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.057 7.063 8.077 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.323 7.706 6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.659 7.248 7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.230 7.741 8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.708 6.028 8.790 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.457 6.094 5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.493 4.773 6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.132 5.686 5.111 1.00 0.00 H new ATOM 854 N ALA A 54 -3.405 5.327 5.954 1.00 0.00 N ATOM 855 CA ALA A 54 -4.203 5.173 4.755 1.00 0.00 C ATOM 856 C ALA A 54 -5.357 4.214 5.012 1.00 0.00 C ATOM 857 O ALA A 54 -5.514 3.225 4.310 1.00 0.00 O ATOM 858 CB ALA A 54 -3.274 4.680 3.648 1.00 0.00 C ATOM 0 H ALA A 54 -3.504 4.558 6.617 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.651 6.119 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.842 4.552 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.481 5.410 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.835 3.726 3.939 1.00 0.00 H new ATOM 864 N SER A 55 -6.119 4.458 6.065 1.00 0.00 N ATOM 865 CA SER A 55 -7.315 3.708 6.400 1.00 0.00 C ATOM 866 C SER A 55 -8.247 3.520 5.205 1.00 0.00 C ATOM 867 O SER A 55 -8.193 4.253 4.218 1.00 0.00 O ATOM 868 CB SER A 55 -7.984 4.381 7.609 1.00 0.00 C ATOM 869 OG SER A 55 -9.293 4.875 7.411 1.00 0.00 O ATOM 0 H SER A 55 -5.915 5.205 6.729 1.00 0.00 H new ATOM 0 HA SER A 55 -7.044 2.689 6.678 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.011 3.662 8.428 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.352 5.209 7.932 1.00 0.00 H new ATOM 0 HG SER A 55 -9.619 5.279 8.242 1.00 0.00 H new ATOM 875 N ILE A 56 -9.150 2.550 5.306 1.00 0.00 N ATOM 876 CA ILE A 56 -10.131 2.312 4.268 1.00 0.00 C ATOM 877 C ILE A 56 -11.446 1.897 4.925 1.00 0.00 C ATOM 878 O ILE A 56 -11.541 0.783 5.454 1.00 0.00 O ATOM 879 CB ILE A 56 -9.629 1.271 3.244 1.00 0.00 C ATOM 880 CG1 ILE A 56 -8.112 1.244 2.934 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.509 1.517 1.997 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.720 0.098 2.000 1.00 0.00 C ATOM 0 H ILE A 56 -9.218 1.916 6.102 1.00 0.00 H new ATOM 0 HA ILE A 56 -10.297 3.228 3.701 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.733 0.271 3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.821 2.192 2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.556 1.153 3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.226 0.820 1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.557 1.366 2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.366 2.539 1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.646 0.128 1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.983 -0.854 2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.252 0.201 1.054 1.00 0.00 H new ATOM 894 N GLU A 57 -12.451 2.778 4.901 1.00 0.00 N ATOM 895 CA GLU A 57 -13.768 2.556 5.470 1.00 0.00 C ATOM 896 C GLU A 57 -14.705 2.190 4.344 1.00 0.00 C ATOM 897 O GLU A 57 -15.179 3.075 3.634 1.00 0.00 O ATOM 898 CB GLU A 57 -14.285 3.772 6.259 1.00 0.00 C ATOM 899 CG GLU A 57 -13.793 3.645 7.709 1.00 0.00 C ATOM 900 CD GLU A 57 -14.502 4.597 8.680 1.00 0.00 C ATOM 901 OE1 GLU A 57 -14.096 5.779 8.794 1.00 0.00 O ATOM 902 OE2 GLU A 57 -15.401 4.143 9.430 1.00 0.00 O ATOM 0 H GLU A 57 -12.358 3.696 4.467 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.711 1.744 6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.921 4.698 5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.374 3.810 6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.940 2.619 8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.721 3.840 7.739 1.00 0.00 H new ATOM 909 N SER A 58 -14.956 0.892 4.175 1.00 0.00 N ATOM 910 CA SER A 58 -15.929 0.382 3.213 1.00 0.00 C ATOM 911 C SER A 58 -17.338 0.390 3.819 1.00 0.00 C ATOM 912 O SER A 58 -17.595 1.055 4.826 1.00 0.00 O ATOM 913 CB SER A 58 -15.461 -0.977 2.665 1.00 0.00 C ATOM 914 OG SER A 58 -15.718 -2.039 3.549 1.00 0.00 O ATOM 0 H SER A 58 -14.485 0.160 4.707 1.00 0.00 H new ATOM 0 HA SER A 58 -15.994 1.039 2.346 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.960 -1.172 1.716 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.391 -0.932 2.460 1.00 0.00 H new ATOM 0 HG SER A 58 -15.751 -2.881 3.048 1.00 0.00 H new ATOM 920 N VAL A 59 -18.266 -0.351 3.211 1.00 0.00 N ATOM 921 CA VAL A 59 -19.596 -0.636 3.735 1.00 0.00 C ATOM 922 C VAL A 59 -19.581 -0.954 5.233 1.00 0.00 C ATOM 923 O VAL A 59 -20.477 -0.488 5.942 1.00 0.00 O ATOM 924 CB VAL A 59 -20.224 -1.798 2.942 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.749 -1.322 1.583 1.00 0.00 C ATOM 926 CG2 VAL A 59 -19.245 -2.968 2.737 1.00 0.00 C ATOM 0 H VAL A 59 -18.101 -0.785 2.303 1.00 0.00 H new ATOM 0 HA VAL A 59 -20.200 0.263 3.613 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.058 -2.160 3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -21.186 -2.164 1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -21.508 -0.555 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.926 -0.908 1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -19.738 -3.760 2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.372 -2.619 2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.932 -3.354 3.707 1.00 0.00 H new ATOM 936 N LYS A 60 -18.599 -1.735 5.713 1.00 0.00 N ATOM 937 CA LYS A 60 -18.413 -2.036 7.132 1.00 0.00 C ATOM 938 C LYS A 60 -17.054 -2.696 7.442 1.00 0.00 C ATOM 939 O LYS A 60 -16.915 -3.385 8.456 1.00 0.00 O ATOM 940 CB LYS A 60 -19.607 -2.878 7.657 1.00 0.00 C ATOM 941 CG LYS A 60 -20.233 -2.278 8.926 1.00 0.00 C ATOM 942 CD LYS A 60 -19.253 -2.183 10.097 1.00 0.00 C ATOM 943 CE LYS A 60 -19.967 -1.798 11.392 1.00 0.00 C ATOM 944 NZ LYS A 60 -19.074 -2.013 12.546 1.00 0.00 N ATOM 0 H LYS A 60 -17.904 -2.179 5.112 1.00 0.00 H new ATOM 0 HA LYS A 60 -18.394 -1.087 7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -20.367 -2.950 6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -19.268 -3.893 7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -20.615 -1.283 8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -21.087 -2.886 9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -18.748 -3.140 10.229 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -18.484 -1.445 9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -20.275 -0.753 11.350 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -20.873 -2.393 11.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.569 -1.748 13.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.801 -3.016 12.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.222 -1.427 12.439 1.00 0.00 H new ATOM 958 N ALA A 61 -16.044 -2.568 6.577 1.00 0.00 N ATOM 959 CA ALA A 61 -14.665 -2.823 6.983 1.00 0.00 C ATOM 960 C ALA A 61 -14.009 -1.493 7.333 1.00 0.00 C ATOM 961 O ALA A 61 -14.481 -0.435 6.919 1.00 0.00 O ATOM 962 CB ALA A 61 -13.892 -3.523 5.868 1.00 0.00 C ATOM 0 H ALA A 61 -16.156 -2.292 5.601 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.656 -3.481 7.852 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.867 -3.703 6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.371 -4.474 5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.885 -2.893 4.979 1.00 0.00 H new ATOM 968 N ALA A 62 -12.920 -1.564 8.091 1.00 0.00 N ATOM 969 CA ALA A 62 -12.024 -0.467 8.408 1.00 0.00 C ATOM 970 C ALA A 62 -10.631 -1.074 8.356 1.00 0.00 C ATOM 971 O ALA A 62 -10.152 -1.621 9.359 1.00 0.00 O ATOM 972 CB ALA A 62 -12.352 0.135 9.769 1.00 0.00 C ATOM 0 H ALA A 62 -12.626 -2.440 8.523 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.115 0.364 7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.665 0.954 9.980 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.375 0.512 9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.251 -0.630 10.539 1.00 0.00 H new ATOM 978 N ALA A 63 -10.056 -1.136 7.155 1.00 0.00 N ATOM 979 CA ALA A 63 -8.726 -1.690 6.961 1.00 0.00 C ATOM 980 C ALA A 63 -7.716 -0.614 7.321 1.00 0.00 C ATOM 981 O ALA A 63 -7.696 0.440 6.695 1.00 0.00 O ATOM 982 CB ALA A 63 -8.526 -2.153 5.517 1.00 0.00 C ATOM 0 H ALA A 63 -10.499 -0.805 6.298 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.594 -2.564 7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.522 -2.563 5.402 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.261 -2.921 5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.652 -1.306 4.843 1.00 0.00 H new ATOM 988 N ASP A 64 -6.891 -0.874 8.329 1.00 0.00 N ATOM 989 CA ASP A 64 -5.720 -0.067 8.608 1.00 0.00 C ATOM 990 C ASP A 64 -4.669 -0.479 7.574 1.00 0.00 C ATOM 991 O ASP A 64 -4.228 -1.640 7.589 1.00 0.00 O ATOM 992 CB ASP A 64 -5.193 -0.371 10.018 1.00 0.00 C ATOM 993 CG ASP A 64 -6.194 -0.101 11.141 1.00 0.00 C ATOM 994 OD1 ASP A 64 -6.693 1.037 11.237 1.00 0.00 O ATOM 995 OD2 ASP A 64 -6.506 -1.036 11.925 1.00 0.00 O ATOM 0 H ASP A 64 -7.020 -1.653 8.974 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.950 0.997 8.556 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.891 -1.417 10.061 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.299 0.226 10.194 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.321 0.401 6.629 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.188 0.161 5.744 1.00 0.00 C ATOM 1002 C VAL A 65 -1.903 0.505 6.520 1.00 0.00 C ATOM 1003 O VAL A 65 -1.752 1.660 6.928 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.343 1.016 4.491 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.127 0.975 3.567 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.571 0.536 3.707 1.00 0.00 C ATOM 0 H VAL A 65 -4.809 1.281 6.462 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.139 -0.881 5.426 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.454 2.047 4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.309 1.606 2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.251 1.340 4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.952 -0.050 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.689 1.142 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.437 -0.508 3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.461 0.632 4.329 1.00 0.00 H new ATOM 1016 N TYR A 66 -1.004 -0.458 6.745 1.00 0.00 N ATOM 1017 CA TYR A 66 0.234 -0.291 7.503 1.00 0.00 C ATOM 1018 C TYR A 66 1.447 -0.118 6.580 1.00 0.00 C ATOM 1019 O TYR A 66 2.069 -1.100 6.163 1.00 0.00 O ATOM 1020 CB TYR A 66 0.483 -1.504 8.392 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.553 -1.811 9.435 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -0.474 -1.238 10.713 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -1.548 -2.748 9.139 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -1.376 -1.644 11.717 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -2.433 -3.177 10.130 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.358 -2.623 11.429 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.246 -3.006 12.386 1.00 0.00 O ATOM 0 H TYR A 66 -1.125 -1.407 6.391 1.00 0.00 H new ATOM 0 HA TYR A 66 0.114 0.607 8.108 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.586 -2.379 7.750 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.439 -1.364 8.896 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.274 -0.489 10.927 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.632 -3.142 8.137 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.318 -1.209 12.704 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.173 -3.930 9.905 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.850 -3.685 12.019 1.00 0.00 H new ATOM 1037 N ALA A 67 1.851 1.139 6.378 1.00 0.00 N ATOM 1038 CA ALA A 67 2.860 1.573 5.415 1.00 0.00 C ATOM 1039 C ALA A 67 4.062 0.619 5.322 1.00 0.00 C ATOM 1040 O ALA A 67 4.579 0.211 6.356 1.00 0.00 O ATOM 1041 CB ALA A 67 3.361 2.968 5.792 1.00 0.00 C ATOM 0 H ALA A 67 1.462 1.918 6.909 1.00 0.00 H new ATOM 0 HA ALA A 67 2.376 1.579 4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.114 3.291 5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.526 3.669 5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.800 2.940 6.789 1.00 0.00 H new ATOM 1047 N PRO A 68 4.555 0.273 4.123 1.00 0.00 N ATOM 1048 CA PRO A 68 5.404 -0.899 3.933 1.00 0.00 C ATOM 1049 C PRO A 68 6.848 -0.723 4.397 1.00 0.00 C ATOM 1050 O PRO A 68 7.437 -1.686 4.887 1.00 0.00 O ATOM 1051 CB PRO A 68 5.376 -1.175 2.433 1.00 0.00 C ATOM 1052 CG PRO A 68 5.070 0.183 1.818 1.00 0.00 C ATOM 1053 CD PRO A 68 4.111 0.776 2.842 1.00 0.00 C ATOM 0 HA PRO A 68 5.020 -1.717 4.543 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.330 -1.567 2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.614 -1.911 2.176 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.968 0.790 1.698 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.612 0.093 0.833 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.136 1.865 2.818 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.083 0.476 2.637 1.00 0.00 H new ATOM 1061 N LEU A 69 7.439 0.458 4.205 1.00 0.00 N ATOM 1062 CA LEU A 69 8.812 0.769 4.597 1.00 0.00 C ATOM 1063 C LEU A 69 8.760 1.948 5.555 1.00 0.00 C ATOM 1064 O LEU A 69 7.779 2.694 5.582 1.00 0.00 O ATOM 1065 CB LEU A 69 9.694 1.201 3.403 1.00 0.00 C ATOM 1066 CG LEU A 69 10.143 0.195 2.338 1.00 0.00 C ATOM 1067 CD1 LEU A 69 10.644 -1.131 2.920 1.00 0.00 C ATOM 1068 CD2 LEU A 69 9.044 -0.025 1.305 1.00 0.00 C ATOM 0 H LEU A 69 6.963 1.243 3.761 1.00 0.00 H new ATOM 0 HA LEU A 69 9.243 -0.131 5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.158 1.995 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.597 1.646 3.820 1.00 0.00 H new ATOM 0 HG LEU A 69 11.005 0.638 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.945 -1.794 2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.498 -0.943 3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.846 -1.601 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.385 -0.743 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.152 -0.411 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.808 0.921 0.818 1.00 0.00 H new ATOM 1080 N SER A 70 9.859 2.179 6.264 1.00 0.00 N ATOM 1081 CA SER A 70 10.146 3.501 6.788 1.00 0.00 C ATOM 1082 C SER A 70 10.477 4.442 5.626 1.00 0.00 C ATOM 1083 O SER A 70 11.191 4.057 4.694 1.00 0.00 O ATOM 1084 CB SER A 70 11.297 3.414 7.783 1.00 0.00 C ATOM 1085 OG SER A 70 11.064 2.386 8.737 1.00 0.00 O ATOM 0 H SER A 70 10.559 1.471 6.486 1.00 0.00 H new ATOM 0 HA SER A 70 9.277 3.898 7.313 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.229 3.219 7.252 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.415 4.370 8.293 1.00 0.00 H new ATOM 0 HG SER A 70 11.815 2.346 9.365 1.00 0.00 H new ATOM 1091 N GLY A 71 9.948 5.662 5.659 1.00 0.00 N ATOM 1092 CA GLY A 71 10.045 6.587 4.547 1.00 0.00 C ATOM 1093 C GLY A 71 9.251 7.858 4.814 1.00 0.00 C ATOM 1094 O GLY A 71 8.872 8.131 5.951 1.00 0.00 O ATOM 0 H GLY A 71 9.440 6.033 6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.091 6.839 4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.676 6.109 3.640 1.00 0.00 H new ATOM 1098 N LYS A 72 8.976 8.636 3.767 1.00 0.00 N ATOM 1099 CA LYS A 72 8.121 9.820 3.857 1.00 0.00 C ATOM 1100 C LYS A 72 7.170 9.802 2.672 1.00 0.00 C ATOM 1101 O LYS A 72 7.624 9.589 1.549 1.00 0.00 O ATOM 1102 CB LYS A 72 9.000 11.083 3.929 1.00 0.00 C ATOM 1103 CG LYS A 72 8.191 12.377 4.114 1.00 0.00 C ATOM 1104 CD LYS A 72 9.027 13.648 4.343 1.00 0.00 C ATOM 1105 CE LYS A 72 9.854 14.092 3.132 1.00 0.00 C ATOM 1106 NZ LYS A 72 11.248 13.593 3.178 1.00 0.00 N ATOM 0 H LYS A 72 9.341 8.463 2.830 1.00 0.00 H new ATOM 0 HA LYS A 72 7.517 9.821 4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.703 10.981 4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.590 11.159 3.016 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.568 12.526 3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.518 12.247 4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.359 14.461 4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.700 13.479 5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.375 13.736 2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.864 15.181 3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.762 13.922 2.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.717 13.953 4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.244 12.553 3.197 1.00 0.00 H new ATOM 1120 N ILE A 73 5.868 9.963 2.906 1.00 0.00 N ATOM 1121 CA ILE A 73 4.864 10.089 1.850 1.00 0.00 C ATOM 1122 C ILE A 73 5.249 11.287 0.977 1.00 0.00 C ATOM 1123 O ILE A 73 5.779 12.260 1.507 1.00 0.00 O ATOM 1124 CB ILE A 73 3.462 10.292 2.463 1.00 0.00 C ATOM 1125 CG1 ILE A 73 3.049 9.260 3.539 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.379 10.346 1.367 1.00 0.00 C ATOM 1127 CD1 ILE A 73 3.269 7.797 3.161 1.00 0.00 C ATOM 0 H ILE A 73 5.476 10.010 3.846 1.00 0.00 H new ATOM 0 HA ILE A 73 4.832 9.181 1.248 1.00 0.00 H new ATOM 0 HB ILE A 73 3.539 11.249 2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.606 9.470 4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.993 9.403 3.770 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.402 10.490 1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.587 11.175 0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.382 9.411 0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.948 7.157 3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.689 7.561 2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.327 7.628 2.962 1.00 0.00 H new ATOM 1139 N VAL A 74 4.983 11.217 -0.330 1.00 0.00 N ATOM 1140 CA VAL A 74 5.250 12.303 -1.273 1.00 0.00 C ATOM 1141 C VAL A 74 4.222 12.379 -2.409 1.00 0.00 C ATOM 1142 O VAL A 74 4.334 13.271 -3.249 1.00 0.00 O ATOM 1143 CB VAL A 74 6.664 12.146 -1.883 1.00 0.00 C ATOM 1144 CG1 VAL A 74 7.787 12.374 -0.876 1.00 0.00 C ATOM 1145 CG2 VAL A 74 6.893 10.783 -2.560 1.00 0.00 C ATOM 0 H VAL A 74 4.571 10.393 -0.767 1.00 0.00 H new ATOM 0 HA VAL A 74 5.179 13.229 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 74 6.699 12.929 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.750 12.248 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.715 13.384 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.699 11.652 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.904 10.743 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.764 9.986 -1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.173 10.653 -3.368 1.00 0.00 H new ATOM 1155 N GLU A 75 3.238 11.476 -2.479 1.00 0.00 N ATOM 1156 CA GLU A 75 2.110 11.613 -3.396 1.00 0.00 C ATOM 1157 C GLU A 75 0.939 10.841 -2.793 1.00 0.00 C ATOM 1158 O GLU A 75 1.163 9.871 -2.065 1.00 0.00 O ATOM 1159 CB GLU A 75 2.508 11.065 -4.781 1.00 0.00 C ATOM 1160 CG GLU A 75 2.084 11.953 -5.953 1.00 0.00 C ATOM 1161 CD GLU A 75 2.905 11.658 -7.222 1.00 0.00 C ATOM 1162 OE1 GLU A 75 4.053 12.160 -7.327 1.00 0.00 O ATOM 1163 OE2 GLU A 75 2.415 10.944 -8.127 1.00 0.00 O ATOM 0 H GLU A 75 3.204 10.635 -1.903 1.00 0.00 H new ATOM 0 HA GLU A 75 1.822 12.655 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.590 10.936 -4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.065 10.077 -4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.025 11.799 -6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.205 13.001 -5.677 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.298 11.215 -3.112 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.513 10.528 -2.677 1.00 0.00 C ATOM 1172 C VAL A 76 -2.415 10.404 -3.910 1.00 0.00 C ATOM 1173 O VAL A 76 -2.334 11.244 -4.814 1.00 0.00 O ATOM 1174 CB VAL A 76 -2.185 11.278 -1.499 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -1.243 11.496 -0.296 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.703 12.646 -1.945 1.00 0.00 C ATOM 0 H VAL A 76 -0.489 12.028 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.295 9.533 -2.288 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.006 10.635 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.777 12.026 0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.904 10.531 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.382 12.085 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.170 13.152 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.872 13.247 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.437 12.516 -2.740 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.249 9.368 -3.986 1.00 0.00 N ATOM 1187 CA ASN A 77 -4.091 9.121 -5.151 1.00 0.00 C ATOM 1188 C ASN A 77 -5.437 9.789 -4.920 1.00 0.00 C ATOM 1189 O ASN A 77 -6.366 9.153 -4.419 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.229 7.615 -5.400 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.705 7.277 -6.810 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.684 8.105 -7.722 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -5.117 6.036 -7.004 1.00 0.00 N ATOM 0 H ASN A 77 -3.359 8.679 -3.242 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.639 9.546 -6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.266 7.135 -5.224 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.930 7.197 -4.677 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.429 5.741 -7.929 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.123 5.373 -6.229 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.561 11.078 -5.247 1.00 0.00 N ATOM 1201 CA GLU A 78 -6.781 11.852 -4.971 1.00 0.00 C ATOM 1202 C GLU A 78 -8.006 11.302 -5.699 1.00 0.00 C ATOM 1203 O GLU A 78 -9.143 11.523 -5.283 1.00 0.00 O ATOM 1204 CB GLU A 78 -6.559 13.322 -5.365 1.00 0.00 C ATOM 1205 CG GLU A 78 -6.214 14.226 -4.179 1.00 0.00 C ATOM 1206 CD GLU A 78 -7.171 15.408 -3.984 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -8.405 15.247 -4.179 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -6.695 16.501 -3.617 1.00 0.00 O ATOM 0 H GLU A 78 -4.826 11.614 -5.708 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.980 11.771 -3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.755 13.376 -6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.459 13.700 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.208 13.625 -3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.203 14.611 -4.313 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.765 10.465 -6.701 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.744 9.646 -7.389 1.00 0.00 C ATOM 1217 C LYS A 79 -9.586 8.828 -6.412 1.00 0.00 C ATOM 1218 O LYS A 79 -10.778 8.664 -6.647 1.00 0.00 O ATOM 1219 CB LYS A 79 -7.971 8.729 -8.349 1.00 0.00 C ATOM 1220 CG LYS A 79 -7.405 9.432 -9.589 1.00 0.00 C ATOM 1221 CD LYS A 79 -8.514 9.711 -10.602 1.00 0.00 C ATOM 1222 CE LYS A 79 -8.932 8.422 -11.317 1.00 0.00 C ATOM 1223 NZ LYS A 79 -10.147 8.625 -12.119 1.00 0.00 N ATOM 0 H LYS A 79 -6.824 10.335 -7.074 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.443 10.279 -7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.149 8.265 -7.804 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.632 7.925 -8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.928 10.368 -9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.635 8.811 -10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.375 10.147 -10.095 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.170 10.443 -11.333 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.121 8.082 -11.961 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.106 7.636 -10.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.966 8.339 -13.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.921 8.050 -11.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.415 9.630 -12.095 1.00 0.00 H new ATOM 1237 N LEU A 80 -9.003 8.337 -5.315 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.669 7.439 -4.376 1.00 0.00 C ATOM 1239 C LEU A 80 -10.714 8.177 -3.537 1.00 0.00 C ATOM 1240 O LEU A 80 -11.508 7.523 -2.872 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.630 6.736 -3.474 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.777 5.614 -4.120 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -8.207 4.245 -3.600 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -7.859 5.479 -5.642 1.00 0.00 C ATOM 0 H LEU A 80 -8.042 8.557 -5.053 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.196 6.680 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.951 7.495 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.157 6.311 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.765 5.913 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.597 3.471 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.076 4.209 -2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.256 4.076 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.218 4.660 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.889 5.273 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.528 6.407 -6.108 1.00 0.00 H new ATOM 1256 N ASP A 81 -10.772 9.512 -3.568 1.00 0.00 N ATOM 1257 CA ASP A 81 -11.890 10.238 -2.960 1.00 0.00 C ATOM 1258 C ASP A 81 -13.170 9.972 -3.760 1.00 0.00 C ATOM 1259 O ASP A 81 -14.245 9.748 -3.196 1.00 0.00 O ATOM 1260 CB ASP A 81 -11.586 11.741 -2.912 1.00 0.00 C ATOM 1261 CG ASP A 81 -12.522 12.477 -1.951 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -13.595 12.965 -2.388 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -12.166 12.620 -0.761 1.00 0.00 O ATOM 0 H ASP A 81 -10.066 10.106 -4.003 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.032 9.887 -1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.552 11.894 -2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.684 12.164 -3.912 1.00 0.00 H new ATOM 1268 N THR A 82 -13.070 9.981 -5.092 1.00 0.00 N ATOM 1269 CA THR A 82 -14.218 9.911 -5.991 1.00 0.00 C ATOM 1270 C THR A 82 -14.480 8.470 -6.447 1.00 0.00 C ATOM 1271 O THR A 82 -15.630 8.035 -6.395 1.00 0.00 O ATOM 1272 CB THR A 82 -14.027 10.897 -7.152 1.00 0.00 C ATOM 1273 OG1 THR A 82 -12.773 10.728 -7.784 1.00 0.00 O ATOM 1274 CG2 THR A 82 -14.096 12.347 -6.661 1.00 0.00 C ATOM 0 H THR A 82 -12.176 10.038 -5.580 1.00 0.00 H new ATOM 0 HA THR A 82 -15.119 10.214 -5.458 1.00 0.00 H new ATOM 0 HB THR A 82 -14.831 10.690 -7.858 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.688 11.371 -8.518 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.957 13.024 -7.504 1.00 0.00 H new ATOM 0 HG22 THR A 82 -15.069 12.531 -6.204 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.311 12.520 -5.925 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.434 7.699 -6.758 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.473 6.272 -7.092 1.00 0.00 C ATOM 1284 C GLU A 83 -12.653 5.471 -6.055 1.00 0.00 C ATOM 1285 O GLU A 83 -11.544 5.014 -6.344 1.00 0.00 O ATOM 1286 CB GLU A 83 -12.917 6.083 -8.514 1.00 0.00 C ATOM 1287 CG GLU A 83 -13.869 6.392 -9.675 1.00 0.00 C ATOM 1288 CD GLU A 83 -13.094 6.671 -10.973 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -12.564 7.794 -11.111 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -13.068 5.832 -11.920 1.00 0.00 O ATOM 0 H GLU A 83 -12.486 8.074 -6.785 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.498 5.901 -7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.035 6.715 -8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.583 5.050 -8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.546 5.551 -9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.485 7.256 -9.424 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.151 5.312 -4.819 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.502 4.533 -3.771 1.00 0.00 C ATOM 1299 C PRO A 84 -12.584 3.041 -4.089 1.00 0.00 C ATOM 1300 O PRO A 84 -11.630 2.306 -3.828 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.239 4.881 -2.465 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.558 5.520 -2.897 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.294 6.026 -4.311 1.00 0.00 C ATOM 0 HA PRO A 84 -11.441 4.768 -3.686 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.414 3.989 -1.864 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.652 5.567 -1.854 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.373 4.797 -2.880 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.841 6.335 -2.231 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.164 5.860 -4.947 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.104 7.099 -4.305 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.719 2.572 -4.633 1.00 0.00 N ATOM 1312 CA GLU A 85 -13.989 1.153 -4.906 1.00 0.00 C ATOM 1313 C GLU A 85 -12.959 0.565 -5.885 1.00 0.00 C ATOM 1314 O GLU A 85 -12.813 -0.653 -5.915 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.438 1.020 -5.412 1.00 0.00 C ATOM 1316 CG GLU A 85 -15.867 -0.375 -5.909 1.00 0.00 C ATOM 1317 CD GLU A 85 -15.834 -0.539 -7.439 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -15.021 0.127 -8.126 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -16.664 -1.289 -8.007 1.00 0.00 O ATOM 0 H GLU A 85 -14.490 3.183 -4.901 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.887 0.570 -3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.109 1.317 -4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.582 1.731 -6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.215 -1.124 -5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.877 -0.579 -5.555 1.00 0.00 H new ATOM 1326 N LEU A 86 -12.147 1.375 -6.578 1.00 0.00 N ATOM 1327 CA LEU A 86 -11.143 0.910 -7.534 1.00 0.00 C ATOM 1328 C LEU A 86 -10.118 -0.035 -6.905 1.00 0.00 C ATOM 1329 O LEU A 86 -9.473 -0.803 -7.614 1.00 0.00 O ATOM 1330 CB LEU A 86 -10.365 2.086 -8.168 1.00 0.00 C ATOM 1331 CG LEU A 86 -10.615 2.357 -9.666 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -9.375 3.042 -10.231 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -10.773 1.120 -10.555 1.00 0.00 C ATOM 0 H LEU A 86 -12.173 2.390 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.709 0.374 -8.296 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.608 2.992 -7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.300 1.903 -8.029 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.544 2.926 -9.687 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.523 3.246 -11.291 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.204 3.979 -9.701 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.510 2.391 -10.105 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.944 1.432 -11.585 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.866 0.517 -10.504 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.621 0.529 -10.209 1.00 0.00 H new ATOM 1345 N ILE A 87 -9.973 -0.022 -5.580 1.00 0.00 N ATOM 1346 CA ILE A 87 -9.128 -0.980 -4.883 1.00 0.00 C ATOM 1347 C ILE A 87 -9.665 -2.413 -5.055 1.00 0.00 C ATOM 1348 O ILE A 87 -8.898 -3.371 -5.008 1.00 0.00 O ATOM 1349 CB ILE A 87 -8.966 -0.591 -3.400 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -8.602 0.895 -3.174 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -7.837 -1.437 -2.799 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -8.817 1.338 -1.725 1.00 0.00 C ATOM 0 H ILE A 87 -10.436 0.649 -4.967 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.134 -0.956 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.932 -0.766 -2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.560 1.056 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.206 1.518 -3.834 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.707 -1.176 -1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.091 -2.494 -2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.910 -1.243 -3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.546 2.389 -1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.865 1.205 -1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.193 0.736 -1.064 1.00 0.00 H new ATOM 1364 N ASN A 88 -10.972 -2.584 -5.284 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.554 -3.865 -5.694 1.00 0.00 C ATOM 1366 C ASN A 88 -10.957 -4.283 -7.029 1.00 0.00 C ATOM 1367 O ASN A 88 -10.417 -5.375 -7.194 1.00 0.00 O ATOM 1368 CB ASN A 88 -13.082 -3.785 -5.845 1.00 0.00 C ATOM 1369 CG ASN A 88 -13.825 -3.733 -4.507 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -14.517 -4.666 -4.107 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.690 -2.654 -3.754 1.00 0.00 N ATOM 0 H ASN A 88 -11.657 -1.835 -5.190 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.326 -4.593 -4.916 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.336 -2.899 -6.427 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.429 -4.649 -6.411 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.158 -2.601 -2.849 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.117 -1.874 -4.078 1.00 0.00 H new ATOM 1378 N LYS A 89 -11.130 -3.384 -7.985 1.00 0.00 N ATOM 1379 CA LYS A 89 -10.956 -3.539 -9.411 1.00 0.00 C ATOM 1380 C LYS A 89 -9.498 -3.809 -9.739 1.00 0.00 C ATOM 1381 O LYS A 89 -9.147 -4.866 -10.265 1.00 0.00 O ATOM 1382 CB LYS A 89 -11.440 -2.213 -10.014 1.00 0.00 C ATOM 1383 CG LYS A 89 -12.961 -2.019 -9.872 1.00 0.00 C ATOM 1384 CD LYS A 89 -13.677 -2.327 -11.193 1.00 0.00 C ATOM 1385 CE LYS A 89 -15.194 -2.215 -11.047 1.00 0.00 C ATOM 1386 NZ LYS A 89 -15.594 -0.866 -10.593 1.00 0.00 N ATOM 0 H LYS A 89 -11.425 -2.436 -7.753 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.514 -4.384 -9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.925 -1.386 -9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.170 -2.178 -11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.343 -2.670 -9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.174 -0.994 -9.568 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.333 -1.638 -11.964 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.415 -3.332 -11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.670 -2.435 -12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.549 -2.960 -10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.622 -0.842 -10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.105 -0.640 -9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.337 -0.165 -11.317 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.650 -2.827 -9.448 1.00 0.00 N ATOM 1401 CA ASP A 90 -7.294 -2.754 -9.956 1.00 0.00 C ATOM 1402 C ASP A 90 -6.386 -2.332 -8.790 1.00 0.00 C ATOM 1403 O ASP A 90 -5.758 -1.268 -8.854 1.00 0.00 O ATOM 1404 CB ASP A 90 -7.229 -1.772 -11.148 1.00 0.00 C ATOM 1405 CG ASP A 90 -8.295 -1.968 -12.244 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -8.390 -3.069 -12.827 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -8.996 -0.984 -12.597 1.00 0.00 O ATOM 0 H ASP A 90 -8.896 -2.046 -8.840 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.955 -3.718 -10.335 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.316 -0.757 -10.762 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.244 -1.855 -11.608 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.312 -3.121 -7.695 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.652 -2.709 -6.454 1.00 0.00 C ATOM 1414 C PRO A 91 -4.166 -2.404 -6.622 1.00 0.00 C ATOM 1415 O PRO A 91 -3.556 -1.827 -5.725 1.00 0.00 O ATOM 1416 CB PRO A 91 -5.815 -3.870 -5.465 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.388 -5.040 -6.259 1.00 0.00 C ATOM 1418 CD PRO A 91 -6.915 -4.438 -7.556 1.00 0.00 C ATOM 0 HA PRO A 91 -6.112 -1.783 -6.109 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.857 -4.137 -5.019 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.481 -3.593 -4.648 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.623 -5.790 -6.458 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.185 -5.536 -5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.658 -5.070 -8.406 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.002 -4.363 -7.531 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.573 -2.831 -7.732 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.158 -2.837 -8.031 1.00 0.00 C ATOM 1428 C GLU A 92 -1.878 -2.105 -9.351 1.00 0.00 C ATOM 1429 O GLU A 92 -0.741 -2.103 -9.839 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.602 -4.273 -7.955 1.00 0.00 C ATOM 1431 CG GLU A 92 -2.592 -5.453 -8.022 1.00 0.00 C ATOM 1432 CD GLU A 92 -3.302 -5.599 -9.374 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -3.919 -4.620 -9.857 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -3.272 -6.732 -9.920 1.00 0.00 O ATOM 0 H GLU A 92 -4.120 -3.211 -8.504 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.613 -2.273 -7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.887 -4.394 -8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.043 -4.363 -7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.055 -6.376 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.342 -5.329 -7.241 1.00 0.00 H new ATOM 1441 N GLY A 93 -2.902 -1.461 -9.921 1.00 0.00 N ATOM 1442 CA GLY A 93 -2.795 -0.536 -11.030 1.00 0.00 C ATOM 1443 C GLY A 93 -3.288 0.829 -10.576 1.00 0.00 C ATOM 1444 O GLY A 93 -2.536 1.596 -9.971 1.00 0.00 O ATOM 0 H GLY A 93 -3.863 -1.582 -9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.761 -0.471 -11.369 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.386 -0.889 -11.875 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.548 1.140 -10.863 1.00 0.00 N ATOM 1449 CA GLU A 94 -5.108 2.475 -10.664 1.00 0.00 C ATOM 1450 C GLU A 94 -5.589 2.688 -9.221 1.00 0.00 C ATOM 1451 O GLU A 94 -5.663 3.829 -8.765 1.00 0.00 O ATOM 1452 CB GLU A 94 -6.228 2.679 -11.703 1.00 0.00 C ATOM 1453 CG GLU A 94 -5.694 2.913 -13.131 1.00 0.00 C ATOM 1454 CD GLU A 94 -5.018 4.257 -13.423 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -4.384 4.870 -12.545 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -5.084 4.691 -14.603 1.00 0.00 O ATOM 0 H GLU A 94 -5.215 0.469 -11.243 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.337 3.230 -10.816 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.878 1.804 -11.704 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.840 3.531 -11.406 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.980 2.121 -13.357 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.527 2.798 -13.825 1.00 0.00 H new ATOM 1463 N GLY A 95 -5.845 1.621 -8.457 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.305 1.688 -7.072 1.00 0.00 C ATOM 1465 C GLY A 95 -5.162 1.762 -6.056 1.00 0.00 C ATOM 1466 O GLY A 95 -5.297 1.210 -4.965 1.00 0.00 O ATOM 0 H GLY A 95 -5.734 0.665 -8.796 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.946 2.561 -6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.917 0.812 -6.857 1.00 0.00 H new ATOM 1470 N TRP A 96 -4.033 2.400 -6.395 1.00 0.00 N ATOM 1471 CA TRP A 96 -3.003 2.722 -5.408 1.00 0.00 C ATOM 1472 C TRP A 96 -3.549 3.735 -4.398 1.00 0.00 C ATOM 1473 O TRP A 96 -4.537 4.420 -4.678 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.709 3.215 -6.080 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.755 4.490 -6.874 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.245 4.592 -8.129 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.311 5.843 -6.510 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -2.155 5.896 -8.561 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.607 6.712 -7.602 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.743 6.448 -5.362 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.365 8.088 -7.558 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.524 7.846 -5.294 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -0.815 8.656 -6.403 1.00 0.00 C ATOM 0 H TRP A 96 -3.814 2.701 -7.345 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.740 1.812 -4.868 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.956 3.336 -5.301 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.357 2.424 -6.743 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.647 3.773 -8.707 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.458 6.217 -9.481 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.471 5.830 -4.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.601 8.709 -8.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -0.133 8.288 -4.389 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.615 9.717 -6.365 1.00 0.00 H new ATOM 1494 N LEU A 97 -2.902 3.830 -3.232 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.334 4.707 -2.143 1.00 0.00 C ATOM 1496 C LEU A 97 -2.399 5.915 -2.109 1.00 0.00 C ATOM 1497 O LEU A 97 -2.824 7.045 -2.346 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.347 3.972 -0.789 1.00 0.00 C ATOM 1499 CG LEU A 97 -4.214 2.689 -0.714 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -3.515 1.611 0.106 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.558 2.930 -0.018 1.00 0.00 C ATOM 0 H LEU A 97 -2.059 3.297 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.359 5.033 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.321 3.707 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.697 4.667 -0.026 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.369 2.385 -1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.142 0.720 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.560 1.363 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.343 1.978 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.126 2.000 0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.383 3.277 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.122 3.684 -0.567 1.00 0.00 H new ATOM 1513 N PHE A 98 -1.103 5.687 -1.866 1.00 0.00 N ATOM 1514 CA PHE A 98 -0.102 6.743 -1.784 1.00 0.00 C ATOM 1515 C PHE A 98 1.219 6.310 -2.413 1.00 0.00 C ATOM 1516 O PHE A 98 1.451 5.123 -2.660 1.00 0.00 O ATOM 1517 CB PHE A 98 0.070 7.196 -0.325 1.00 0.00 C ATOM 1518 CG PHE A 98 0.531 6.131 0.657 1.00 0.00 C ATOM 1519 CD1 PHE A 98 1.881 5.734 0.708 1.00 0.00 C ATOM 1520 CD2 PHE A 98 -0.381 5.579 1.572 1.00 0.00 C ATOM 1521 CE1 PHE A 98 2.316 4.828 1.690 1.00 0.00 C ATOM 1522 CE2 PHE A 98 0.063 4.681 2.561 1.00 0.00 C ATOM 1523 CZ PHE A 98 1.412 4.303 2.621 1.00 0.00 C ATOM 0 H PHE A 98 -0.721 4.752 -1.720 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.451 7.600 -2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.787 8.016 -0.303 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.882 7.596 0.024 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.585 6.127 -0.010 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.426 5.845 1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.355 4.535 1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.639 4.281 3.277 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.751 3.613 3.379 1.00 0.00 H new ATOM 1533 N LYS A 99 2.116 7.276 -2.622 1.00 0.00 N ATOM 1534 CA LYS A 99 3.516 7.040 -2.930 1.00 0.00 C ATOM 1535 C LYS A 99 4.361 7.627 -1.822 1.00 0.00 C ATOM 1536 O LYS A 99 3.986 8.615 -1.183 1.00 0.00 O ATOM 1537 CB LYS A 99 3.933 7.654 -4.269 1.00 0.00 C ATOM 1538 CG LYS A 99 3.202 7.030 -5.468 1.00 0.00 C ATOM 1539 CD LYS A 99 4.088 6.983 -6.719 1.00 0.00 C ATOM 1540 CE LYS A 99 4.029 8.310 -7.465 1.00 0.00 C ATOM 1541 NZ LYS A 99 2.966 8.311 -8.487 1.00 0.00 N ATOM 0 H LYS A 99 1.876 8.267 -2.579 1.00 0.00 H new ATOM 0 HA LYS A 99 3.666 5.963 -3.009 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.736 8.726 -4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.008 7.530 -4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.882 6.020 -5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.301 7.605 -5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.117 6.764 -6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.760 6.176 -7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.854 9.119 -6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.991 8.505 -7.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.403 9.181 -8.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.395 8.268 -9.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.350 7.485 -8.348 1.00 0.00 H new ATOM 1555 N MET A 100 5.521 7.027 -1.601 1.00 0.00 N ATOM 1556 CA MET A 100 6.413 7.392 -0.520 1.00 0.00 C ATOM 1557 C MET A 100 7.858 7.226 -0.964 1.00 0.00 C ATOM 1558 O MET A 100 8.184 6.258 -1.648 1.00 0.00 O ATOM 1559 CB MET A 100 6.110 6.538 0.717 1.00 0.00 C ATOM 1560 CG MET A 100 5.824 5.047 0.442 1.00 0.00 C ATOM 1561 SD MET A 100 6.058 3.914 1.854 1.00 0.00 S ATOM 1562 CE MET A 100 7.633 4.453 2.581 1.00 0.00 C ATOM 0 H MET A 100 5.871 6.262 -2.178 1.00 0.00 H new ATOM 0 HA MET A 100 6.257 8.438 -0.256 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.956 6.607 1.401 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.249 6.966 1.230 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.796 4.953 0.093 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.469 4.718 -0.373 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.912 3.776 3.389 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.409 4.444 1.816 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.525 5.463 2.976 1.00 0.00 H new ATOM 1572 N GLU A 101 8.714 8.160 -0.553 1.00 0.00 N ATOM 1573 CA GLU A 101 10.156 8.060 -0.664 1.00 0.00 C ATOM 1574 C GLU A 101 10.613 6.893 0.202 1.00 0.00 C ATOM 1575 O GLU A 101 10.383 6.899 1.419 1.00 0.00 O ATOM 1576 CB GLU A 101 10.842 9.366 -0.233 1.00 0.00 C ATOM 1577 CG GLU A 101 12.381 9.245 -0.294 1.00 0.00 C ATOM 1578 CD GLU A 101 13.137 10.491 0.169 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.622 11.234 1.035 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.267 10.705 -0.324 1.00 0.00 O ATOM 0 H GLU A 101 8.407 9.032 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 101 10.435 7.888 -1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.514 10.181 -0.879 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.536 9.621 0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.690 8.399 0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.674 9.018 -1.319 1.00 0.00 H new ATOM 1587 N ILE A 102 11.277 5.920 -0.418 1.00 0.00 N ATOM 1588 CA ILE A 102 12.048 4.918 0.283 1.00 0.00 C ATOM 1589 C ILE A 102 13.290 5.614 0.830 1.00 0.00 C ATOM 1590 O ILE A 102 14.244 5.896 0.106 1.00 0.00 O ATOM 1591 CB ILE A 102 12.358 3.697 -0.602 1.00 0.00 C ATOM 1592 CG1 ILE A 102 12.903 4.029 -2.001 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.056 2.903 -0.782 1.00 0.00 C ATOM 1594 CD1 ILE A 102 13.691 2.876 -2.608 1.00 0.00 C ATOM 0 H ILE A 102 11.290 5.811 -1.432 1.00 0.00 H new ATOM 0 HA ILE A 102 11.478 4.497 1.111 1.00 0.00 H new ATOM 0 HB ILE A 102 13.144 3.141 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.073 4.284 -2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.543 4.909 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.246 2.030 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.689 2.580 0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.307 3.535 -1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.053 3.163 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.539 2.637 -1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.046 2.002 -2.698 1.00 0.00 H new ATOM 1606 N SER A 103 13.246 5.982 2.103 1.00 0.00 N ATOM 1607 CA SER A 103 14.357 6.664 2.744 1.00 0.00 C ATOM 1608 C SER A 103 15.515 5.693 3.057 1.00 0.00 C ATOM 1609 O SER A 103 16.612 6.155 3.375 1.00 0.00 O ATOM 1610 CB SER A 103 13.796 7.409 3.956 1.00 0.00 C ATOM 1611 OG SER A 103 12.805 8.326 3.496 1.00 0.00 O ATOM 0 H SER A 103 12.446 5.817 2.714 1.00 0.00 H new ATOM 0 HA SER A 103 14.814 7.397 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 103 13.362 6.706 4.667 1.00 0.00 H new ATOM 0 HB3 SER A 103 14.592 7.940 4.478 1.00 0.00 H new ATOM 0 HG SER A 103 12.431 8.813 4.259 1.00 0.00 H new ATOM 1617 N ASP A 104 15.302 4.378 2.913 1.00 0.00 N ATOM 1618 CA ASP A 104 16.253 3.309 3.207 1.00 0.00 C ATOM 1619 C ASP A 104 15.913 2.134 2.276 1.00 0.00 C ATOM 1620 O ASP A 104 15.022 1.343 2.597 1.00 0.00 O ATOM 1621 CB ASP A 104 16.131 2.838 4.671 1.00 0.00 C ATOM 1622 CG ASP A 104 16.616 3.816 5.741 1.00 0.00 C ATOM 1623 OD1 ASP A 104 15.800 4.611 6.242 1.00 0.00 O ATOM 1624 OD2 ASP A 104 17.804 3.697 6.156 1.00 0.00 O ATOM 0 H ASP A 104 14.412 4.017 2.569 1.00 0.00 H new ATOM 0 HA ASP A 104 17.270 3.670 3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 104 15.085 2.606 4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 104 16.690 1.908 4.779 1.00 0.00 H new ATOM 1629 N GLU A 105 16.566 1.992 1.115 1.00 0.00 N ATOM 1630 CA GLU A 105 16.309 0.860 0.200 1.00 0.00 C ATOM 1631 C GLU A 105 16.869 -0.466 0.767 1.00 0.00 C ATOM 1632 O GLU A 105 16.613 -1.556 0.247 1.00 0.00 O ATOM 1633 CB GLU A 105 16.798 1.191 -1.233 1.00 0.00 C ATOM 1634 CG GLU A 105 17.862 0.252 -1.835 1.00 0.00 C ATOM 1635 CD GLU A 105 18.620 0.898 -2.997 1.00 0.00 C ATOM 1636 OE1 GLU A 105 19.534 1.685 -2.704 1.00 0.00 O ATOM 1637 OE2 GLU A 105 18.334 0.559 -4.182 1.00 0.00 O ATOM 0 H GLU A 105 17.277 2.644 0.783 1.00 0.00 H new ATOM 0 HA GLU A 105 15.233 0.705 0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.933 1.194 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.201 2.204 -1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.570 -0.036 -1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.381 -0.662 -2.182 1.00 0.00 H new ATOM 1644 N GLY A 106 17.628 -0.386 1.855 1.00 0.00 N ATOM 1645 CA GLY A 106 18.121 -1.541 2.592 1.00 0.00 C ATOM 1646 C GLY A 106 16.964 -2.328 3.189 1.00 0.00 C ATOM 1647 O GLY A 106 16.938 -3.562 3.121 1.00 0.00 O ATOM 0 H GLY A 106 17.923 0.504 2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.700 -2.183 1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.793 -1.213 3.385 1.00 0.00 H new ATOM 1651 N GLU A 107 15.974 -1.602 3.704 1.00 0.00 N ATOM 1652 CA GLU A 107 14.783 -2.128 4.350 1.00 0.00 C ATOM 1653 C GLU A 107 13.878 -2.873 3.367 1.00 0.00 C ATOM 1654 O GLU A 107 12.953 -3.553 3.799 1.00 0.00 O ATOM 1655 CB GLU A 107 14.007 -0.967 4.988 1.00 0.00 C ATOM 1656 CG GLU A 107 14.793 -0.156 6.028 1.00 0.00 C ATOM 1657 CD GLU A 107 14.928 -0.873 7.370 1.00 0.00 C ATOM 1658 OE1 GLU A 107 15.694 -1.852 7.476 1.00 0.00 O ATOM 1659 OE2 GLU A 107 14.289 -0.399 8.350 1.00 0.00 O ATOM 0 H GLU A 107 15.985 -0.582 3.679 1.00 0.00 H new ATOM 0 HA GLU A 107 15.097 -2.843 5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.676 -0.293 4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 107 13.110 -1.366 5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 107 15.787 0.059 5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 107 14.297 0.802 6.183 1.00 0.00 H new ATOM 1666 N LEU A 108 14.125 -2.804 2.054 1.00 0.00 N ATOM 1667 CA LEU A 108 13.362 -3.618 1.119 1.00 0.00 C ATOM 1668 C LEU A 108 13.681 -5.102 1.314 1.00 0.00 C ATOM 1669 O LEU A 108 12.897 -5.940 0.880 1.00 0.00 O ATOM 1670 CB LEU A 108 13.619 -3.240 -0.344 1.00 0.00 C ATOM 1671 CG LEU A 108 13.491 -1.766 -0.744 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.489 -1.652 -2.266 1.00 0.00 C ATOM 1673 CD2 LEU A 108 12.312 -1.005 -0.160 1.00 0.00 C ATOM 0 H LEU A 108 14.832 -2.205 1.628 1.00 0.00 H new ATOM 0 HA LEU A 108 12.311 -3.427 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.626 -3.569 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.929 -3.814 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 108 14.361 -1.281 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.398 -0.604 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.420 -2.057 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.647 -2.213 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.331 0.025 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.382 -1.480 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 108 12.376 -1.014 0.928 1.00 0.00 H new ATOM 1685 N GLU A 109 14.810 -5.465 1.928 1.00 0.00 N ATOM 1686 CA GLU A 109 15.102 -6.866 2.231 1.00 0.00 C ATOM 1687 C GLU A 109 14.225 -7.389 3.373 1.00 0.00 C ATOM 1688 O GLU A 109 14.043 -8.603 3.468 1.00 0.00 O ATOM 1689 CB GLU A 109 16.596 -7.070 2.520 1.00 0.00 C ATOM 1690 CG GLU A 109 17.420 -7.225 1.230 1.00 0.00 C ATOM 1691 CD GLU A 109 17.152 -8.572 0.549 1.00 0.00 C ATOM 1692 OE1 GLU A 109 16.228 -8.658 -0.281 1.00 0.00 O ATOM 1693 OE2 GLU A 109 17.791 -9.589 0.924 1.00 0.00 O ATOM 0 H GLU A 109 15.534 -4.810 2.224 1.00 0.00 H new ATOM 0 HA GLU A 109 14.857 -7.454 1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.973 -6.222 3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.727 -7.956 3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.178 -6.414 0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.481 -7.139 1.463 1.00 0.00 H new ATOM 1700 N ASP A 110 13.614 -6.513 4.175 1.00 0.00 N ATOM 1701 CA ASP A 110 12.677 -6.896 5.236 1.00 0.00 C ATOM 1702 C ASP A 110 11.288 -7.210 4.660 1.00 0.00 C ATOM 1703 O ASP A 110 10.510 -7.930 5.289 1.00 0.00 O ATOM 1704 CB ASP A 110 12.605 -5.750 6.253 1.00 0.00 C ATOM 1705 CG ASP A 110 11.612 -5.973 7.390 1.00 0.00 C ATOM 1706 OD1 ASP A 110 11.589 -7.055 8.012 1.00 0.00 O ATOM 1707 OD2 ASP A 110 10.915 -4.996 7.755 1.00 0.00 O ATOM 0 H ASP A 110 13.757 -5.506 4.105 1.00 0.00 H new ATOM 0 HA ASP A 110 13.029 -7.803 5.727 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.597 -5.596 6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.337 -4.832 5.729 1.00 0.00 H new ATOM 1712 N LEU A 111 10.982 -6.733 3.445 1.00 0.00 N ATOM 1713 CA LEU A 111 9.763 -7.056 2.699 1.00 0.00 C ATOM 1714 C LEU A 111 9.851 -8.465 2.107 1.00 0.00 C ATOM 1715 O LEU A 111 10.889 -9.127 2.193 1.00 0.00 O ATOM 1716 CB LEU A 111 9.565 -6.040 1.561 1.00 0.00 C ATOM 1717 CG LEU A 111 9.365 -4.573 1.958 1.00 0.00 C ATOM 1718 CD1 LEU A 111 9.227 -3.754 0.669 1.00 0.00 C ATOM 1719 CD2 LEU A 111 8.108 -4.383 2.808 1.00 0.00 C ATOM 0 H LEU A 111 11.596 -6.093 2.941 1.00 0.00 H new ATOM 0 HA LEU A 111 8.917 -7.012 3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.432 -6.097 0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.700 -6.352 0.976 1.00 0.00 H new ATOM 0 HG LEU A 111 10.219 -4.247 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 111 9.083 -2.703 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.131 -3.864 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.369 -4.112 0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 111 8.001 -3.330 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.234 -4.707 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.192 -4.976 3.719 1.00 0.00 H new ATOM 1731 N LEU A 112 8.773 -8.937 1.483 1.00 0.00 N ATOM 1732 CA LEU A 112 8.664 -10.271 0.898 1.00 0.00 C ATOM 1733 C LEU A 112 8.723 -10.202 -0.621 1.00 0.00 C ATOM 1734 O LEU A 112 8.236 -9.245 -1.230 1.00 0.00 O ATOM 1735 CB LEU A 112 7.321 -10.896 1.303 1.00 0.00 C ATOM 1736 CG LEU A 112 7.298 -11.394 2.755 1.00 0.00 C ATOM 1737 CD1 LEU A 112 5.841 -11.542 3.184 1.00 0.00 C ATOM 1738 CD2 LEU A 112 8.007 -12.744 2.910 1.00 0.00 C ATOM 0 H LEU A 112 7.924 -8.383 1.367 1.00 0.00 H new ATOM 0 HA LEU A 112 9.496 -10.874 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.529 -10.160 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.100 -11.730 0.636 1.00 0.00 H new ATOM 0 HG LEU A 112 7.826 -10.672 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.799 -11.895 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.340 -10.577 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.341 -12.260 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.967 -13.058 3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 112 7.512 -13.489 2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.048 -12.646 2.600 1.00 0.00 H new ATOM 1750 N ASP A 113 9.250 -11.262 -1.225 1.00 0.00 N ATOM 1751 CA ASP A 113 9.101 -11.559 -2.641 1.00 0.00 C ATOM 1752 C ASP A 113 7.636 -11.913 -2.906 1.00 0.00 C ATOM 1753 O ASP A 113 6.855 -12.166 -1.994 1.00 0.00 O ATOM 1754 CB ASP A 113 9.993 -12.742 -3.059 1.00 0.00 C ATOM 1755 CG ASP A 113 11.480 -12.386 -3.187 1.00 0.00 C ATOM 1756 OD1 ASP A 113 11.946 -11.352 -2.662 1.00 0.00 O ATOM 1757 OD2 ASP A 113 12.225 -13.188 -3.795 1.00 0.00 O ATOM 0 H ASP A 113 9.808 -11.956 -0.727 1.00 0.00 H new ATOM 0 HA ASP A 113 9.403 -10.687 -3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.883 -13.543 -2.328 1.00 0.00 H new ATOM 0 HB3 ASP A 113 9.639 -13.131 -4.014 1.00 0.00 H new ATOM 1762 N GLU A 114 7.262 -11.997 -4.179 1.00 0.00 N ATOM 1763 CA GLU A 114 5.908 -12.301 -4.635 1.00 0.00 C ATOM 1764 C GLU A 114 5.552 -13.744 -4.278 1.00 0.00 C ATOM 1765 O GLU A 114 4.537 -13.973 -3.620 1.00 0.00 O ATOM 1766 CB GLU A 114 5.817 -12.044 -6.143 1.00 0.00 C ATOM 1767 CG GLU A 114 4.392 -12.113 -6.720 1.00 0.00 C ATOM 1768 CD GLU A 114 4.383 -11.847 -8.235 1.00 0.00 C ATOM 1769 OE1 GLU A 114 5.433 -11.472 -8.810 1.00 0.00 O ATOM 1770 OE2 GLU A 114 3.317 -12.038 -8.872 1.00 0.00 O ATOM 0 H GLU A 114 7.915 -11.850 -4.949 1.00 0.00 H new ATOM 0 HA GLU A 114 5.186 -11.655 -4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.234 -11.060 -6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.440 -12.773 -6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.965 -13.095 -6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.759 -11.382 -6.217 1.00 0.00 H new ATOM 1777 N GLN A 115 6.429 -14.704 -4.607 1.00 0.00 N ATOM 1778 CA GLN A 115 6.260 -16.103 -4.259 1.00 0.00 C ATOM 1779 C GLN A 115 6.201 -16.277 -2.739 1.00 0.00 C ATOM 1780 O GLN A 115 5.391 -17.041 -2.219 1.00 0.00 O ATOM 1781 CB GLN A 115 7.442 -16.890 -4.845 1.00 0.00 C ATOM 1782 CG GLN A 115 7.049 -18.352 -5.040 1.00 0.00 C ATOM 1783 CD GLN A 115 8.203 -19.163 -5.625 1.00 0.00 C ATOM 1784 OE1 GLN A 115 8.738 -18.866 -6.691 1.00 0.00 O ATOM 1785 NE2 GLN A 115 8.607 -20.226 -4.959 1.00 0.00 N ATOM 0 H GLN A 115 7.285 -14.517 -5.130 1.00 0.00 H new ATOM 0 HA GLN A 115 5.322 -16.477 -4.670 1.00 0.00 H new ATOM 0 HB2 GLN A 115 7.742 -16.455 -5.798 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.302 -16.822 -4.178 1.00 0.00 H new ATOM 0 HG2 GLN A 115 6.748 -18.781 -4.084 1.00 0.00 H new ATOM 0 HG3 GLN A 115 6.186 -18.414 -5.703 1.00 0.00 H new ATOM 0 HE21 GLN A 115 8.163 -20.473 -4.074 1.00 0.00 H new ATOM 0 HE22 GLN A 115 9.364 -20.802 -5.328 1.00 0.00 H new ATOM 1794 N ALA A 116 7.065 -15.558 -2.016 1.00 0.00 N ATOM 1795 CA ALA A 116 7.133 -15.622 -0.563 1.00 0.00 C ATOM 1796 C ALA A 116 5.857 -15.047 0.066 1.00 0.00 C ATOM 1797 O ALA A 116 5.380 -15.568 1.075 1.00 0.00 O ATOM 1798 CB ALA A 116 8.374 -14.862 -0.086 1.00 0.00 C ATOM 0 H ALA A 116 7.738 -14.913 -2.430 1.00 0.00 H new ATOM 0 HA ALA A 116 7.210 -16.663 -0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.432 -14.906 1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.267 -15.317 -0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.308 -13.822 -0.404 1.00 0.00 H new ATOM 1804 N TYR A 117 5.295 -13.989 -0.521 1.00 0.00 N ATOM 1805 CA TYR A 117 4.015 -13.426 -0.111 1.00 0.00 C ATOM 1806 C TYR A 117 2.871 -14.408 -0.405 1.00 0.00 C ATOM 1807 O TYR A 117 1.971 -14.571 0.422 1.00 0.00 O ATOM 1808 CB TYR A 117 3.837 -12.070 -0.808 1.00 0.00 C ATOM 1809 CG TYR A 117 2.421 -11.536 -0.801 1.00 0.00 C ATOM 1810 CD1 TYR A 117 1.774 -11.281 0.418 1.00 0.00 C ATOM 1811 CD2 TYR A 117 1.725 -11.368 -2.012 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.417 -10.927 0.431 1.00 0.00 C ATOM 1813 CE2 TYR A 117 0.371 -10.991 -2.010 1.00 0.00 C ATOM 1814 CZ TYR A 117 -0.298 -10.800 -0.779 1.00 0.00 C ATOM 1815 OH TYR A 117 -1.633 -10.547 -0.739 1.00 0.00 O ATOM 0 H TYR A 117 5.724 -13.496 -1.304 1.00 0.00 H new ATOM 0 HA TYR A 117 3.994 -13.261 0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.488 -11.341 -0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.171 -12.161 -1.841 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.321 -11.357 1.346 1.00 0.00 H new ATOM 0 HD2 TYR A 117 2.235 -11.530 -2.950 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -0.083 -10.751 1.372 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -0.155 -10.848 -2.942 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.982 -10.486 -1.653 1.00 0.00 H new ATOM 1825 N GLN A 118 2.919 -15.108 -1.539 1.00 0.00 N ATOM 1826 CA GLN A 118 1.976 -16.171 -1.863 1.00 0.00 C ATOM 1827 C GLN A 118 2.020 -17.273 -0.805 1.00 0.00 C ATOM 1828 O GLN A 118 0.974 -17.698 -0.327 1.00 0.00 O ATOM 1829 CB GLN A 118 2.222 -16.673 -3.299 1.00 0.00 C ATOM 1830 CG GLN A 118 2.337 -18.192 -3.490 1.00 0.00 C ATOM 1831 CD GLN A 118 2.364 -18.564 -4.969 1.00 0.00 C ATOM 1832 OE1 GLN A 118 1.559 -18.076 -5.764 1.00 0.00 O ATOM 1833 NE2 GLN A 118 3.274 -19.433 -5.368 1.00 0.00 N ATOM 0 H GLN A 118 3.620 -14.949 -2.262 1.00 0.00 H new ATOM 0 HA GLN A 118 0.957 -15.784 -1.842 1.00 0.00 H new ATOM 0 HB2 GLN A 118 1.409 -16.312 -3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.139 -16.214 -3.667 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.244 -18.554 -3.005 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.496 -18.687 -3.004 1.00 0.00 H new ATOM 0 HE21 GLN A 118 3.932 -19.827 -4.696 1.00 0.00 H new ATOM 0 HE22 GLN A 118 3.319 -19.711 -6.348 1.00 0.00 H new ATOM 1842 N GLU A 119 3.206 -17.740 -0.422 1.00 0.00 N ATOM 1843 CA GLU A 119 3.325 -18.796 0.571 1.00 0.00 C ATOM 1844 C GLU A 119 2.888 -18.309 1.965 1.00 0.00 C ATOM 1845 O GLU A 119 2.373 -19.102 2.747 1.00 0.00 O ATOM 1846 CB GLU A 119 4.744 -19.391 0.538 1.00 0.00 C ATOM 1847 CG GLU A 119 4.678 -20.911 0.744 1.00 0.00 C ATOM 1848 CD GLU A 119 6.021 -21.606 0.499 1.00 0.00 C ATOM 1849 OE1 GLU A 119 6.941 -21.491 1.337 1.00 0.00 O ATOM 1850 OE2 GLU A 119 6.144 -22.336 -0.518 1.00 0.00 O ATOM 0 H GLU A 119 4.096 -17.401 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 119 2.638 -19.605 0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.220 -19.165 -0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.357 -18.936 1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.347 -21.120 1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 119 3.930 -21.331 0.072 1.00 0.00 H new