USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 856 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 Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0334) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.123 F(o=-1.2,f=-0.12) USER MOD Single : A 25 THR OG1 : rot -98:sc= 1.25 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= -0.0215 (180deg=-0.0215) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.614 USER MOD Single : A 39 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.29) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 6:sc= -0.17 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 68:sc= 0.196 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.238) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.0341 F(o=-0.56,f=-0.034) USER MOD Single : A 80 GLN : amide:sc= -0.0466 X(o=-0.047,f=0) USER MOD Single : A 84 THR OG1 : rot -58:sc= -6.16! USER MOD Single : A 86 LYS NZ :NH3+ -137:sc= -0.349 (180deg=-1.84!) USER MOD Single : A 88 TYR OH : rot 180:sc= -1.59 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -1.11 F(o=-2.6,f=-1.1) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.061 USER MOD Single : A 99 TYR OH : rot 140:sc= -1.08 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.845 USER MOD Single : A 110 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00285) USER MOD Single : A 115 ASN : amide:sc= -0.0802 K(o=-0.08,f=-0.75) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 9 -2.396 9.662 3.381 1.00 0.00 N ATOM 98 CA VAL A 9 -1.313 8.697 3.533 1.00 0.00 C ATOM 99 C VAL A 9 -1.234 8.178 4.965 1.00 0.00 C ATOM 100 O VAL A 9 -1.485 8.915 5.918 1.00 0.00 O ATOM 101 CB VAL A 9 0.045 9.310 3.147 1.00 0.00 C ATOM 102 CG1 VAL A 9 0.077 9.648 1.664 1.00 0.00 C ATOM 103 CG2 VAL A 9 0.333 10.544 3.989 1.00 0.00 C ATOM 0 HA VAL A 9 -1.534 7.868 2.860 1.00 0.00 H new ATOM 0 HB VAL A 9 0.824 8.574 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.045 10.080 1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.079 8.741 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.712 10.366 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.297 10.964 3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.449 11.286 3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.357 10.268 5.043 1.00 0.00 H new ATOM 113 N THR A 10 -0.883 6.904 5.109 1.00 0.00 N ATOM 114 CA THR A 10 -0.771 6.285 6.424 1.00 0.00 C ATOM 115 C THR A 10 0.653 5.803 6.680 1.00 0.00 C ATOM 116 O THR A 10 1.337 5.342 5.765 1.00 0.00 O ATOM 117 CB THR A 10 -1.747 5.114 6.546 1.00 0.00 C ATOM 118 OG1 THR A 10 -3.073 5.537 6.279 1.00 0.00 O ATOM 119 CG2 THR A 10 -1.738 4.466 7.913 1.00 0.00 C ATOM 0 H THR A 10 -0.671 6.280 4.330 1.00 0.00 H new ATOM 0 HA THR A 10 -1.021 7.037 7.173 1.00 0.00 H new ATOM 0 HB THR A 10 -1.411 4.381 5.813 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.682 4.774 6.360 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.453 3.643 7.930 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.740 4.084 8.128 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.015 5.203 8.667 1.00 0.00 H new ATOM 127 N VAL A 11 1.093 5.914 7.929 1.00 0.00 N ATOM 128 CA VAL A 11 2.435 5.490 8.309 1.00 0.00 C ATOM 129 C VAL A 11 2.496 3.980 8.513 1.00 0.00 C ATOM 130 O VAL A 11 1.549 3.372 9.011 1.00 0.00 O ATOM 131 CB VAL A 11 2.901 6.190 9.599 1.00 0.00 C ATOM 132 CG1 VAL A 11 4.365 5.881 9.875 1.00 0.00 C ATOM 133 CG2 VAL A 11 2.672 7.691 9.505 1.00 0.00 C ATOM 0 H VAL A 11 0.539 6.295 8.696 1.00 0.00 H new ATOM 0 HA VAL A 11 3.099 5.771 7.492 1.00 0.00 H new ATOM 0 HB VAL A 11 2.311 5.808 10.432 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.677 6.384 10.790 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.494 4.805 9.990 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.974 6.232 9.042 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.007 8.169 10.426 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.234 8.093 8.662 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.610 7.889 9.360 1.00 0.00 H new ATOM 143 N VAL A 12 3.616 3.381 8.123 1.00 0.00 N ATOM 144 CA VAL A 12 3.800 1.942 8.261 1.00 0.00 C ATOM 145 C VAL A 12 5.246 1.600 8.608 1.00 0.00 C ATOM 146 O VAL A 12 6.104 1.524 7.728 1.00 0.00 O ATOM 147 CB VAL A 12 3.408 1.202 6.970 1.00 0.00 C ATOM 148 CG1 VAL A 12 3.423 -0.302 7.191 1.00 0.00 C ATOM 149 CG2 VAL A 12 2.043 1.665 6.484 1.00 0.00 C ATOM 0 H VAL A 12 4.410 3.870 7.709 1.00 0.00 H new ATOM 0 HA VAL A 12 3.149 1.617 9.073 1.00 0.00 H new ATOM 0 HB VAL A 12 4.142 1.439 6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.143 -0.808 6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.424 -0.616 7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.713 -0.561 7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.782 1.131 5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.295 1.460 7.250 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.072 2.736 6.283 1.00 0.00 H new ATOM 159 N VAL A 13 5.507 1.389 9.894 1.00 0.00 N ATOM 160 CA VAL A 13 6.847 1.048 10.355 1.00 0.00 C ATOM 161 C VAL A 13 6.944 -0.442 10.673 1.00 0.00 C ATOM 162 O VAL A 13 5.930 -1.112 10.858 1.00 0.00 O ATOM 163 CB VAL A 13 7.241 1.870 11.601 1.00 0.00 C ATOM 164 CG1 VAL A 13 6.288 1.595 12.753 1.00 0.00 C ATOM 165 CG2 VAL A 13 8.679 1.578 12.008 1.00 0.00 C ATOM 0 H VAL A 13 4.808 1.448 10.635 1.00 0.00 H new ATOM 0 HA VAL A 13 7.540 1.290 9.549 1.00 0.00 H new ATOM 0 HB VAL A 13 7.168 2.927 11.346 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.585 2.185 13.620 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.274 1.867 12.459 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.320 0.535 13.007 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.935 2.168 12.888 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.784 0.518 12.239 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.349 1.839 11.189 1.00 0.00 H new ATOM 175 N ALA A 14 8.168 -0.958 10.723 1.00 0.00 N ATOM 176 CA ALA A 14 8.396 -2.373 11.007 1.00 0.00 C ATOM 177 C ALA A 14 7.585 -2.854 12.211 1.00 0.00 C ATOM 178 O ALA A 14 7.158 -4.007 12.260 1.00 0.00 O ATOM 179 CB ALA A 14 9.878 -2.627 11.239 1.00 0.00 C ATOM 0 H ALA A 14 9.019 -0.417 10.570 1.00 0.00 H new ATOM 0 HA ALA A 14 8.061 -2.940 10.139 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.037 -3.684 11.450 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.439 -2.346 10.348 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.221 -2.033 12.086 1.00 0.00 H new ATOM 185 N LYS A 15 7.389 -1.971 13.184 1.00 0.00 N ATOM 186 CA LYS A 15 6.643 -2.314 14.393 1.00 0.00 C ATOM 187 C LYS A 15 5.136 -2.107 14.220 1.00 0.00 C ATOM 188 O LYS A 15 4.354 -2.470 15.099 1.00 0.00 O ATOM 189 CB LYS A 15 7.145 -1.482 15.573 1.00 0.00 C ATOM 190 CG LYS A 15 8.655 -1.524 15.749 1.00 0.00 C ATOM 191 CD LYS A 15 9.055 -2.379 16.941 1.00 0.00 C ATOM 192 CE LYS A 15 9.143 -1.553 18.214 1.00 0.00 C ATOM 193 NZ LYS A 15 7.906 -1.665 19.035 1.00 0.00 N ATOM 0 H LYS A 15 7.736 -1.012 13.161 1.00 0.00 H new ATOM 0 HA LYS A 15 6.812 -3.373 14.588 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.832 -0.447 15.436 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.671 -1.840 16.487 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.117 -1.920 14.845 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.035 -0.511 15.883 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.329 -3.180 17.075 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.018 -2.851 16.745 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.000 -1.882 18.802 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.315 -0.508 17.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.038 -1.157 19.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.106 -1.250 18.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.709 -2.667 19.230 1.00 0.00 H new ATOM 207 N ASN A 16 4.731 -1.516 13.100 1.00 0.00 N ATOM 208 CA ASN A 16 3.315 -1.261 12.846 1.00 0.00 C ATOM 209 C ASN A 16 2.797 -2.086 11.673 1.00 0.00 C ATOM 210 O ASN A 16 1.725 -2.687 11.750 1.00 0.00 O ATOM 211 CB ASN A 16 3.091 0.226 12.566 1.00 0.00 C ATOM 212 CG ASN A 16 1.841 0.759 13.238 1.00 0.00 C ATOM 213 OD1 ASN A 16 1.902 1.324 14.330 1.00 0.00 O ATOM 214 ND2 ASN A 16 0.698 0.583 12.586 1.00 0.00 N ATOM 0 H ASN A 16 5.358 -1.206 12.357 1.00 0.00 H new ATOM 0 HA ASN A 16 2.762 -1.555 13.738 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.956 0.792 12.912 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.017 0.383 11.490 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.176 0.922 12.988 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.694 0.109 11.683 1.00 0.00 H new ATOM 221 N TYR A 17 3.558 -2.099 10.583 1.00 0.00 N ATOM 222 CA TYR A 17 3.177 -2.835 9.380 1.00 0.00 C ATOM 223 C TYR A 17 2.635 -4.224 9.716 1.00 0.00 C ATOM 224 O TYR A 17 1.599 -4.629 9.206 1.00 0.00 O ATOM 225 CB TYR A 17 4.375 -2.945 8.427 1.00 0.00 C ATOM 226 CG TYR A 17 5.001 -4.324 8.368 1.00 0.00 C ATOM 227 CD1 TYR A 17 4.505 -5.294 7.507 1.00 0.00 C ATOM 228 CD2 TYR A 17 6.080 -4.654 9.176 1.00 0.00 C ATOM 229 CE1 TYR A 17 5.067 -6.555 7.451 1.00 0.00 C ATOM 230 CE2 TYR A 17 6.650 -5.913 9.127 1.00 0.00 C ATOM 231 CZ TYR A 17 6.140 -6.859 8.262 1.00 0.00 C ATOM 232 OH TYR A 17 6.703 -8.113 8.210 1.00 0.00 O ATOM 0 H TYR A 17 4.447 -1.605 10.507 1.00 0.00 H new ATOM 0 HA TYR A 17 2.378 -2.280 8.888 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.054 -2.661 7.425 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.135 -2.227 8.734 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.665 -5.059 6.870 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.481 -3.915 9.854 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.668 -7.298 6.776 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.489 -6.154 9.762 1.00 0.00 H new ATOM 0 HH TYR A 17 7.449 -8.163 8.843 1.00 0.00 H new ATOM 242 N ASN A 18 3.348 -4.951 10.564 1.00 0.00 N ATOM 243 CA ASN A 18 2.937 -6.297 10.951 1.00 0.00 C ATOM 244 C ASN A 18 1.480 -6.333 11.420 1.00 0.00 C ATOM 245 O ASN A 18 0.781 -7.327 11.225 1.00 0.00 O ATOM 246 CB ASN A 18 3.862 -6.837 12.050 1.00 0.00 C ATOM 247 CG ASN A 18 3.534 -6.288 13.428 1.00 0.00 C ATOM 248 OD1 ASN A 18 3.518 -4.965 13.557 1.00 0.00 O flip ATOM 249 ND2 ASN A 18 3.298 -7.047 14.369 1.00 0.00 N flip ATOM 0 H ASN A 18 4.214 -4.633 10.998 1.00 0.00 H new ATOM 0 HA ASN A 18 3.015 -6.933 10.070 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.793 -7.925 12.073 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.894 -6.588 11.803 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.321 -8.057 14.228 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.080 -6.666 15.290 1.00 0.00 H new ATOM 256 N GLU A 19 1.034 -5.250 12.048 1.00 0.00 N ATOM 257 CA GLU A 19 -0.332 -5.170 12.557 1.00 0.00 C ATOM 258 C GLU A 19 -1.348 -4.916 11.444 1.00 0.00 C ATOM 259 O GLU A 19 -2.271 -5.704 11.246 1.00 0.00 O ATOM 260 CB GLU A 19 -0.436 -4.067 13.612 1.00 0.00 C ATOM 261 CG GLU A 19 -1.745 -4.087 14.386 1.00 0.00 C ATOM 262 CD GLU A 19 -2.718 -3.025 13.913 1.00 0.00 C ATOM 263 OE1 GLU A 19 -3.171 -3.110 12.752 1.00 0.00 O ATOM 264 OE2 GLU A 19 -3.025 -2.108 14.702 1.00 0.00 O ATOM 0 H GLU A 19 1.597 -4.416 12.217 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.567 -6.135 13.006 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.393 -4.167 14.313 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.326 -3.098 13.125 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.207 -5.069 14.285 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.538 -3.939 15.446 1.00 0.00 H new ATOM 271 N ILE A 20 -1.185 -3.805 10.734 1.00 0.00 N ATOM 272 CA ILE A 20 -2.104 -3.440 9.657 1.00 0.00 C ATOM 273 C ILE A 20 -2.219 -4.540 8.602 1.00 0.00 C ATOM 274 O ILE A 20 -3.319 -4.896 8.180 1.00 0.00 O ATOM 275 CB ILE A 20 -1.674 -2.127 8.974 1.00 0.00 C ATOM 276 CG1 ILE A 20 -0.225 -2.223 8.484 1.00 0.00 C ATOM 277 CG2 ILE A 20 -1.843 -0.956 9.932 1.00 0.00 C ATOM 278 CD1 ILE A 20 0.316 -0.920 7.933 1.00 0.00 C ATOM 0 H ILE A 20 -0.426 -3.140 10.883 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.080 -3.302 10.122 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.314 -1.960 8.107 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.408 -2.550 9.309 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.162 -2.989 7.711 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.536 -0.034 9.438 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.889 -0.877 10.229 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.226 -1.117 10.816 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.346 -1.063 7.605 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.293 -0.602 7.087 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.285 -0.156 8.710 1.00 0.00 H new ATOM 290 N VAL A 21 -1.078 -5.064 8.174 1.00 0.00 N ATOM 291 CA VAL A 21 -1.040 -6.112 7.161 1.00 0.00 C ATOM 292 C VAL A 21 -1.687 -7.402 7.660 1.00 0.00 C ATOM 293 O VAL A 21 -2.376 -8.091 6.907 1.00 0.00 O ATOM 294 CB VAL A 21 0.410 -6.406 6.721 1.00 0.00 C ATOM 295 CG1 VAL A 21 1.073 -5.139 6.199 1.00 0.00 C ATOM 296 CG2 VAL A 21 1.216 -7.002 7.867 1.00 0.00 C ATOM 0 H VAL A 21 -0.160 -4.778 8.515 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.608 -5.745 6.306 1.00 0.00 H new ATOM 0 HB VAL A 21 0.380 -7.139 5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.095 -5.363 5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.513 -4.761 5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.087 -4.385 6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.234 -7.200 7.531 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.239 -6.299 8.700 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.753 -7.934 8.191 1.00 0.00 H new ATOM 306 N LEU A 22 -1.463 -7.726 8.929 1.00 0.00 N ATOM 307 CA LEU A 22 -2.027 -8.937 9.517 1.00 0.00 C ATOM 308 C LEU A 22 -3.516 -8.770 9.819 1.00 0.00 C ATOM 309 O LEU A 22 -4.200 -9.738 10.152 1.00 0.00 O ATOM 310 CB LEU A 22 -1.271 -9.305 10.795 1.00 0.00 C ATOM 311 CG LEU A 22 0.122 -9.898 10.574 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.823 -10.123 11.905 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.027 -11.200 9.793 1.00 0.00 C ATOM 0 H LEU A 22 -0.897 -7.169 9.569 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.919 -9.742 8.790 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.175 -8.412 11.413 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.869 -10.021 11.360 1.00 0.00 H new ATOM 0 HG LEU A 22 0.711 -9.189 9.992 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.812 -10.545 11.728 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.922 -9.172 12.429 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.237 -10.813 12.513 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.026 -11.609 9.644 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.578 -11.915 10.350 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.435 -11.010 8.824 1.00 0.00 H new ATOM 325 N ASP A 23 -4.015 -7.541 9.703 1.00 0.00 N ATOM 326 CA ASP A 23 -5.422 -7.260 9.967 1.00 0.00 C ATOM 327 C ASP A 23 -6.314 -7.873 8.893 1.00 0.00 C ATOM 328 O ASP A 23 -6.404 -7.359 7.778 1.00 0.00 O ATOM 329 CB ASP A 23 -5.655 -5.750 10.040 1.00 0.00 C ATOM 330 CG ASP A 23 -6.642 -5.369 11.127 1.00 0.00 C ATOM 331 OD1 ASP A 23 -7.479 -6.220 11.493 1.00 0.00 O ATOM 332 OD2 ASP A 23 -6.576 -4.220 11.612 1.00 0.00 O ATOM 0 H ASP A 23 -3.466 -6.726 9.428 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.682 -7.709 10.926 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.705 -5.247 10.223 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.024 -5.395 9.078 1.00 0.00 H new ATOM 337 N ASP A 24 -6.973 -8.974 9.237 1.00 0.00 N ATOM 338 CA ASP A 24 -7.861 -9.660 8.305 1.00 0.00 C ATOM 339 C ASP A 24 -9.216 -8.959 8.211 1.00 0.00 C ATOM 340 O ASP A 24 -10.014 -9.253 7.321 1.00 0.00 O ATOM 341 CB ASP A 24 -8.058 -11.115 8.733 1.00 0.00 C ATOM 342 CG ASP A 24 -8.473 -11.239 10.186 1.00 0.00 C ATOM 343 OD1 ASP A 24 -7.586 -11.190 11.064 1.00 0.00 O ATOM 344 OD2 ASP A 24 -9.686 -11.385 10.446 1.00 0.00 O ATOM 0 H ASP A 24 -6.909 -9.411 10.156 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.394 -9.634 7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.816 -11.577 8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.131 -11.666 8.574 1.00 0.00 H new ATOM 349 N THR A 25 -9.475 -8.035 9.135 1.00 0.00 N ATOM 350 CA THR A 25 -10.736 -7.303 9.149 1.00 0.00 C ATOM 351 C THR A 25 -10.835 -6.358 7.956 1.00 0.00 C ATOM 352 O THR A 25 -11.875 -6.275 7.303 1.00 0.00 O ATOM 353 CB THR A 25 -10.876 -6.513 10.451 1.00 0.00 C ATOM 354 OG1 THR A 25 -9.760 -5.663 10.644 1.00 0.00 O ATOM 355 CG2 THR A 25 -10.998 -7.394 11.676 1.00 0.00 C ATOM 0 H THR A 25 -8.829 -7.777 9.881 1.00 0.00 H new ATOM 0 HA THR A 25 -11.547 -8.029 9.081 1.00 0.00 H new ATOM 0 HB THR A 25 -11.796 -5.939 10.343 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.126 -6.090 11.257 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.094 -6.770 12.565 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.879 -8.029 11.581 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.109 -8.018 11.765 1.00 0.00 H new ATOM 363 N LYS A 26 -9.748 -5.644 7.677 1.00 0.00 N ATOM 364 CA LYS A 26 -9.718 -4.704 6.562 1.00 0.00 C ATOM 365 C LYS A 26 -8.519 -4.966 5.656 1.00 0.00 C ATOM 366 O LYS A 26 -7.595 -5.691 6.026 1.00 0.00 O ATOM 367 CB LYS A 26 -9.671 -3.266 7.083 1.00 0.00 C ATOM 368 CG LYS A 26 -10.782 -2.939 8.068 1.00 0.00 C ATOM 369 CD LYS A 26 -10.446 -1.710 8.898 1.00 0.00 C ATOM 370 CE LYS A 26 -11.598 -1.321 9.809 1.00 0.00 C ATOM 371 NZ LYS A 26 -12.531 -0.367 9.148 1.00 0.00 N ATOM 0 H LYS A 26 -8.878 -5.699 8.207 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.628 -4.845 5.978 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.708 -3.094 7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.732 -2.580 6.238 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.712 -2.770 7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.947 -3.791 8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.557 -1.907 9.497 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.207 -0.877 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.144 -2.216 10.106 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.204 -0.871 10.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.303 -0.127 9.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.016 0.498 8.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.927 -0.805 8.292 1.00 0.00 H new ATOM 385 N ASP A 27 -8.542 -4.370 4.468 1.00 0.00 N ATOM 386 CA ASP A 27 -7.457 -4.537 3.507 1.00 0.00 C ATOM 387 C ASP A 27 -6.406 -3.445 3.683 1.00 0.00 C ATOM 388 O ASP A 27 -6.724 -2.319 4.065 1.00 0.00 O ATOM 389 CB ASP A 27 -8.006 -4.510 2.078 1.00 0.00 C ATOM 390 CG ASP A 27 -7.938 -5.868 1.407 1.00 0.00 C ATOM 391 OD1 ASP A 27 -8.723 -6.760 1.791 1.00 0.00 O ATOM 392 OD2 ASP A 27 -7.099 -6.039 0.498 1.00 0.00 O ATOM 0 H ASP A 27 -9.300 -3.767 4.148 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.986 -5.503 3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.041 -4.168 2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.441 -3.788 1.488 1.00 0.00 H new ATOM 397 N VAL A 28 -5.152 -3.786 3.403 1.00 0.00 N ATOM 398 CA VAL A 28 -4.056 -2.834 3.531 1.00 0.00 C ATOM 399 C VAL A 28 -3.144 -2.874 2.310 1.00 0.00 C ATOM 400 O VAL A 28 -2.937 -3.929 1.710 1.00 0.00 O ATOM 401 CB VAL A 28 -3.217 -3.109 4.792 1.00 0.00 C ATOM 402 CG1 VAL A 28 -2.214 -1.989 5.020 1.00 0.00 C ATOM 403 CG2 VAL A 28 -4.117 -3.284 6.006 1.00 0.00 C ATOM 0 H VAL A 28 -4.870 -4.714 3.086 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.507 -1.845 3.611 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.664 -4.036 4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.630 -2.200 5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.547 -1.917 4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.745 -1.046 5.147 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.506 -3.478 6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.700 -2.376 6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.792 -4.124 5.841 1.00 0.00 H new ATOM 413 N LEU A 29 -2.600 -1.716 1.948 1.00 0.00 N ATOM 414 CA LEU A 29 -1.706 -1.615 0.800 1.00 0.00 C ATOM 415 C LEU A 29 -0.430 -0.867 1.172 1.00 0.00 C ATOM 416 O LEU A 29 -0.404 0.363 1.196 1.00 0.00 O ATOM 417 CB LEU A 29 -2.408 -0.904 -0.360 1.00 0.00 C ATOM 418 CG LEU A 29 -3.888 -1.249 -0.531 1.00 0.00 C ATOM 419 CD1 LEU A 29 -4.566 -0.244 -1.448 1.00 0.00 C ATOM 420 CD2 LEU A 29 -4.045 -2.662 -1.075 1.00 0.00 C ATOM 0 H LEU A 29 -2.763 -0.834 2.434 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.438 -2.625 0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.316 0.172 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.885 -1.147 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.370 -1.201 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.619 -0.505 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.483 0.754 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.084 -0.260 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.104 -2.892 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.550 -2.736 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.594 -3.371 -0.381 1.00 0.00 H new ATOM 432 N ILE A 30 0.626 -1.619 1.463 1.00 0.00 N ATOM 433 CA ILE A 30 1.906 -1.029 1.838 1.00 0.00 C ATOM 434 C ILE A 30 2.890 -1.065 0.673 1.00 0.00 C ATOM 435 O ILE A 30 3.271 -2.136 0.203 1.00 0.00 O ATOM 436 CB ILE A 30 2.526 -1.758 3.048 1.00 0.00 C ATOM 437 CG1 ILE A 30 3.830 -1.077 3.471 1.00 0.00 C ATOM 438 CG2 ILE A 30 2.766 -3.226 2.721 1.00 0.00 C ATOM 439 CD1 ILE A 30 4.539 -1.778 4.610 1.00 0.00 C ATOM 0 H ILE A 30 0.621 -2.639 1.446 1.00 0.00 H new ATOM 0 HA ILE A 30 1.711 0.008 2.110 1.00 0.00 H new ATOM 0 HB ILE A 30 1.825 -1.704 3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.500 -1.029 2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.615 -0.050 3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.204 -3.725 3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.819 -3.702 2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.448 -3.303 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.454 -1.239 4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.888 -1.803 5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.786 -2.797 4.312 1.00 0.00 H new ATOM 451 N GLU A 31 3.299 0.113 0.213 1.00 0.00 N ATOM 452 CA GLU A 31 4.241 0.213 -0.897 1.00 0.00 C ATOM 453 C GLU A 31 5.613 0.671 -0.411 1.00 0.00 C ATOM 454 O GLU A 31 5.734 1.689 0.271 1.00 0.00 O ATOM 455 CB GLU A 31 3.711 1.180 -1.957 1.00 0.00 C ATOM 456 CG GLU A 31 4.110 0.807 -3.375 1.00 0.00 C ATOM 457 CD GLU A 31 2.916 0.627 -4.291 1.00 0.00 C ATOM 458 OE1 GLU A 31 1.840 0.234 -3.794 1.00 0.00 O ATOM 459 OE2 GLU A 31 3.057 0.880 -5.506 1.00 0.00 O ATOM 0 H GLU A 31 2.994 1.010 0.590 1.00 0.00 H new ATOM 0 HA GLU A 31 4.347 -0.777 -1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.624 1.216 -1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.077 2.183 -1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.760 1.582 -3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.689 -0.116 -3.354 1.00 0.00 H new ATOM 466 N PHE A 32 6.643 -0.090 -0.768 1.00 0.00 N ATOM 467 CA PHE A 32 8.009 0.231 -0.371 1.00 0.00 C ATOM 468 C PHE A 32 8.710 1.055 -1.446 1.00 0.00 C ATOM 469 O PHE A 32 8.864 0.609 -2.585 1.00 0.00 O ATOM 470 CB PHE A 32 8.799 -1.050 -0.101 1.00 0.00 C ATOM 471 CG PHE A 32 8.585 -1.608 1.277 1.00 0.00 C ATOM 472 CD1 PHE A 32 9.280 -1.096 2.361 1.00 0.00 C ATOM 473 CD2 PHE A 32 7.689 -2.643 1.488 1.00 0.00 C ATOM 474 CE1 PHE A 32 9.085 -1.607 3.630 1.00 0.00 C ATOM 475 CE2 PHE A 32 7.490 -3.158 2.754 1.00 0.00 C ATOM 476 CZ PHE A 32 8.189 -2.640 3.827 1.00 0.00 C ATOM 0 H PHE A 32 6.557 -0.935 -1.333 1.00 0.00 H new ATOM 0 HA PHE A 32 7.964 0.822 0.544 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.517 -1.803 -0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.861 -0.849 -0.242 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.982 -0.289 2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.140 -3.052 0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.632 -1.199 4.467 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.788 -3.965 2.905 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.035 -3.042 4.818 1.00 0.00 H new ATOM 486 N TYR A 33 9.134 2.260 -1.072 1.00 0.00 N ATOM 487 CA TYR A 33 9.822 3.153 -1.997 1.00 0.00 C ATOM 488 C TYR A 33 11.019 3.817 -1.321 1.00 0.00 C ATOM 489 O TYR A 33 11.233 3.659 -0.119 1.00 0.00 O ATOM 490 CB TYR A 33 8.858 4.222 -2.517 1.00 0.00 C ATOM 491 CG TYR A 33 8.397 5.195 -1.455 1.00 0.00 C ATOM 492 CD1 TYR A 33 7.506 4.801 -0.465 1.00 0.00 C ATOM 493 CD2 TYR A 33 8.854 6.507 -1.442 1.00 0.00 C ATOM 494 CE1 TYR A 33 7.084 5.687 0.509 1.00 0.00 C ATOM 495 CE2 TYR A 33 8.437 7.398 -0.472 1.00 0.00 C ATOM 496 CZ TYR A 33 7.552 6.984 0.500 1.00 0.00 C ATOM 497 OH TYR A 33 7.135 7.869 1.468 1.00 0.00 O ATOM 0 H TYR A 33 9.012 2.640 -0.133 1.00 0.00 H new ATOM 0 HA TYR A 33 10.184 2.560 -2.837 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.344 4.777 -3.319 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.986 3.732 -2.951 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.137 3.786 -0.456 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.547 6.836 -2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.392 5.365 1.273 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.803 8.414 -0.475 1.00 0.00 H new ATOM 0 HH TYR A 33 7.559 8.740 1.319 1.00 0.00 H new ATOM 507 N ALA A 34 11.795 4.562 -2.103 1.00 0.00 N ATOM 508 CA ALA A 34 12.968 5.253 -1.581 1.00 0.00 C ATOM 509 C ALA A 34 13.155 6.608 -2.261 1.00 0.00 C ATOM 510 O ALA A 34 12.880 6.755 -3.452 1.00 0.00 O ATOM 511 CB ALA A 34 14.211 4.394 -1.761 1.00 0.00 C ATOM 0 H ALA A 34 11.632 4.702 -3.100 1.00 0.00 H new ATOM 0 HA ALA A 34 12.812 5.428 -0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.079 4.923 -1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 34 14.084 3.454 -1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.361 4.189 -2.821 1.00 0.00 H new ATOM 517 N PRO A 35 13.629 7.621 -1.512 1.00 0.00 N ATOM 518 CA PRO A 35 13.852 8.965 -2.057 1.00 0.00 C ATOM 519 C PRO A 35 15.013 8.999 -3.043 1.00 0.00 C ATOM 520 O PRO A 35 14.913 9.592 -4.118 1.00 0.00 O ATOM 521 CB PRO A 35 14.175 9.804 -0.819 1.00 0.00 C ATOM 522 CG PRO A 35 14.710 8.830 0.172 1.00 0.00 C ATOM 523 CD PRO A 35 13.987 7.536 -0.084 1.00 0.00 C ATOM 0 HA PRO A 35 12.990 9.327 -2.617 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.907 10.579 -1.046 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.286 10.307 -0.439 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.786 8.705 0.054 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.539 9.177 1.191 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.622 6.674 0.120 1.00 0.00 H new ATOM 0 HD3 PRO A 35 13.103 7.438 0.547 1.00 0.00 H new ATOM 531 N TRP A 36 16.114 8.354 -2.672 1.00 0.00 N ATOM 532 CA TRP A 36 17.297 8.303 -3.525 1.00 0.00 C ATOM 533 C TRP A 36 17.118 7.289 -4.656 1.00 0.00 C ATOM 534 O TRP A 36 17.983 7.155 -5.521 1.00 0.00 O ATOM 535 CB TRP A 36 18.532 7.942 -2.694 1.00 0.00 C ATOM 536 CG TRP A 36 18.466 6.573 -2.086 1.00 0.00 C ATOM 537 CD1 TRP A 36 17.373 5.756 -2.015 1.00 0.00 C ATOM 538 CD2 TRP A 36 19.540 5.860 -1.461 1.00 0.00 C ATOM 539 NE1 TRP A 36 17.703 4.580 -1.385 1.00 0.00 N ATOM 540 CE2 TRP A 36 19.027 4.620 -1.036 1.00 0.00 C ATOM 541 CE3 TRP A 36 20.886 6.150 -1.222 1.00 0.00 C ATOM 542 CZ2 TRP A 36 19.813 3.673 -0.384 1.00 0.00 C ATOM 543 CZ3 TRP A 36 21.665 5.209 -0.575 1.00 0.00 C ATOM 544 CH2 TRP A 36 21.127 3.984 -0.163 1.00 0.00 C ATOM 0 H TRP A 36 16.212 7.859 -1.786 1.00 0.00 H new ATOM 0 HA TRP A 36 17.436 9.289 -3.968 1.00 0.00 H new ATOM 0 HB2 TRP A 36 19.417 8.007 -3.327 1.00 0.00 H new ATOM 0 HB3 TRP A 36 18.653 8.678 -1.899 1.00 0.00 H new ATOM 0 HD1 TRP A 36 16.393 5.999 -2.398 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.066 3.804 -1.206 1.00 0.00 H new ATOM 0 HE3 TRP A 36 21.310 7.092 -1.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 19.400 2.727 -0.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 22.706 5.422 -0.384 1.00 0.00 H new ATOM 0 HH2 TRP A 36 21.762 3.270 0.340 1.00 0.00 H new ATOM 555 N CYS A 37 15.992 6.577 -4.643 1.00 0.00 N ATOM 556 CA CYS A 37 15.702 5.576 -5.664 1.00 0.00 C ATOM 557 C CYS A 37 15.843 6.157 -7.069 1.00 0.00 C ATOM 558 O CYS A 37 16.495 5.570 -7.932 1.00 0.00 O ATOM 559 CB CYS A 37 14.283 5.028 -5.473 1.00 0.00 C ATOM 560 SG CYS A 37 13.726 3.910 -6.804 1.00 0.00 S ATOM 0 H CYS A 37 15.265 6.677 -3.934 1.00 0.00 H new ATOM 0 HA CYS A 37 16.425 4.768 -5.555 1.00 0.00 H new ATOM 0 HB2 CYS A 37 14.236 4.495 -4.523 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.589 5.865 -5.403 1.00 0.00 H new ATOM 565 N GLY A 38 15.208 7.302 -7.295 1.00 0.00 N ATOM 566 CA GLY A 38 15.254 7.929 -8.602 1.00 0.00 C ATOM 567 C GLY A 38 14.034 7.574 -9.426 1.00 0.00 C ATOM 568 O GLY A 38 13.476 8.418 -10.127 1.00 0.00 O ATOM 0 H GLY A 38 14.662 7.807 -6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.315 9.011 -8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 38 16.155 7.613 -9.128 1.00 0.00 H new ATOM 572 N HIS A 39 13.613 6.318 -9.321 1.00 0.00 N ATOM 573 CA HIS A 39 12.442 5.829 -10.036 1.00 0.00 C ATOM 574 C HIS A 39 11.278 5.599 -9.072 1.00 0.00 C ATOM 575 O HIS A 39 10.183 5.220 -9.486 1.00 0.00 O ATOM 576 CB HIS A 39 12.773 4.525 -10.765 1.00 0.00 C ATOM 577 CG HIS A 39 12.077 4.383 -12.083 1.00 0.00 C ATOM 578 ND1 HIS A 39 11.998 5.403 -13.008 1.00 0.00 N ATOM 579 CD2 HIS A 39 11.424 3.330 -12.632 1.00 0.00 C ATOM 580 CE1 HIS A 39 11.328 4.985 -14.066 1.00 0.00 C ATOM 581 NE2 HIS A 39 10.969 3.731 -13.864 1.00 0.00 N ATOM 0 H HIS A 39 14.071 5.615 -8.741 1.00 0.00 H new ATOM 0 HA HIS A 39 12.149 6.584 -10.766 1.00 0.00 H new ATOM 0 HB2 HIS A 39 13.850 4.471 -10.924 1.00 0.00 H new ATOM 0 HB3 HIS A 39 12.502 3.683 -10.128 1.00 0.00 H new ATOM 0 HD2 HIS A 39 11.287 2.357 -12.184 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.111 5.570 -14.947 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.440 3.153 -14.517 1.00 0.00 H new ATOM 590 N CYS A 40 11.526 5.826 -7.782 1.00 0.00 N ATOM 591 CA CYS A 40 10.505 5.639 -6.759 1.00 0.00 C ATOM 592 C CYS A 40 10.033 6.977 -6.197 1.00 0.00 C ATOM 593 O CYS A 40 8.945 7.070 -5.630 1.00 0.00 O ATOM 594 CB CYS A 40 11.048 4.768 -5.626 1.00 0.00 C ATOM 595 SG CYS A 40 11.902 3.261 -6.188 1.00 0.00 S ATOM 0 H CYS A 40 12.428 6.140 -7.423 1.00 0.00 H new ATOM 0 HA CYS A 40 9.653 5.142 -7.224 1.00 0.00 H new ATOM 0 HB2 CYS A 40 11.738 5.361 -5.026 1.00 0.00 H new ATOM 0 HB3 CYS A 40 10.222 4.483 -4.974 1.00 0.00 H new ATOM 600 N LYS A 41 10.855 8.011 -6.353 1.00 0.00 N ATOM 601 CA LYS A 41 10.515 9.340 -5.856 1.00 0.00 C ATOM 602 C LYS A 41 9.123 9.760 -6.322 1.00 0.00 C ATOM 603 O LYS A 41 8.448 10.550 -5.661 1.00 0.00 O ATOM 604 CB LYS A 41 11.556 10.362 -6.318 1.00 0.00 C ATOM 605 CG LYS A 41 11.943 11.363 -5.242 1.00 0.00 C ATOM 606 CD LYS A 41 12.137 12.756 -5.819 1.00 0.00 C ATOM 607 CE LYS A 41 11.597 13.827 -4.884 1.00 0.00 C ATOM 608 NZ LYS A 41 12.555 14.143 -3.789 1.00 0.00 N ATOM 0 H LYS A 41 11.760 7.954 -6.819 1.00 0.00 H new ATOM 0 HA LYS A 41 10.513 9.303 -4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.450 9.834 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.166 10.901 -7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.169 11.391 -4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.863 11.038 -4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.197 12.931 -6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.633 12.825 -6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.385 14.732 -5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.653 13.492 -4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.149 14.877 -3.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.738 13.285 -3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.447 14.487 -4.197 1.00 0.00 H new ATOM 622 N ALA A 42 8.697 9.221 -7.461 1.00 0.00 N ATOM 623 CA ALA A 42 7.383 9.534 -8.010 1.00 0.00 C ATOM 624 C ALA A 42 6.290 8.737 -7.301 1.00 0.00 C ATOM 625 O ALA A 42 5.124 9.130 -7.298 1.00 0.00 O ATOM 626 CB ALA A 42 7.356 9.257 -9.505 1.00 0.00 C ATOM 0 H ALA A 42 9.243 8.566 -8.021 1.00 0.00 H new ATOM 0 HA ALA A 42 7.189 10.594 -7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.369 9.495 -9.901 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.105 9.873 -10.003 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.575 8.204 -9.684 1.00 0.00 H new ATOM 632 N LEU A 43 6.676 7.615 -6.701 1.00 0.00 N ATOM 633 CA LEU A 43 5.733 6.763 -5.986 1.00 0.00 C ATOM 634 C LEU A 43 5.056 7.531 -4.854 1.00 0.00 C ATOM 635 O LEU A 43 3.918 7.239 -4.487 1.00 0.00 O ATOM 636 CB LEU A 43 6.453 5.534 -5.424 1.00 0.00 C ATOM 637 CG LEU A 43 5.688 4.213 -5.541 1.00 0.00 C ATOM 638 CD1 LEU A 43 6.407 3.113 -4.777 1.00 0.00 C ATOM 639 CD2 LEU A 43 4.263 4.370 -5.033 1.00 0.00 C ATOM 0 H LEU A 43 7.638 7.275 -6.696 1.00 0.00 H new ATOM 0 HA LEU A 43 4.967 6.439 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.408 5.427 -5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.675 5.714 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 43 5.647 3.933 -6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.850 2.181 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.408 2.980 -5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.479 3.388 -3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.737 3.420 -5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.281 4.675 -3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.748 5.128 -5.623 1.00 0.00 H new ATOM 651 N ALA A 44 5.765 8.511 -4.303 1.00 0.00 N ATOM 652 CA ALA A 44 5.236 9.320 -3.211 1.00 0.00 C ATOM 653 C ALA A 44 4.038 10.154 -3.662 1.00 0.00 C ATOM 654 O ALA A 44 2.928 9.979 -3.159 1.00 0.00 O ATOM 655 CB ALA A 44 6.325 10.218 -2.645 1.00 0.00 C ATOM 0 H ALA A 44 6.709 8.764 -4.595 1.00 0.00 H new ATOM 0 HA ALA A 44 4.893 8.643 -2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.916 10.816 -1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.144 9.604 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.697 10.878 -3.429 1.00 0.00 H new ATOM 661 N PRO A 45 4.243 11.077 -4.619 1.00 0.00 N ATOM 662 CA PRO A 45 3.170 11.939 -5.128 1.00 0.00 C ATOM 663 C PRO A 45 2.016 11.138 -5.726 1.00 0.00 C ATOM 664 O PRO A 45 0.875 11.601 -5.753 1.00 0.00 O ATOM 665 CB PRO A 45 3.855 12.782 -6.212 1.00 0.00 C ATOM 666 CG PRO A 45 5.113 12.053 -6.540 1.00 0.00 C ATOM 667 CD PRO A 45 5.530 11.359 -5.276 1.00 0.00 C ATOM 0 HA PRO A 45 2.723 12.535 -4.332 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.219 12.884 -7.091 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.066 13.789 -5.852 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.950 11.335 -7.344 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.886 12.742 -6.880 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.088 10.445 -5.481 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.169 11.991 -4.659 1.00 0.00 H new ATOM 675 N LYS A 46 2.319 9.937 -6.205 1.00 0.00 N ATOM 676 CA LYS A 46 1.305 9.077 -6.802 1.00 0.00 C ATOM 677 C LYS A 46 0.468 8.386 -5.728 1.00 0.00 C ATOM 678 O LYS A 46 -0.701 8.069 -5.948 1.00 0.00 O ATOM 679 CB LYS A 46 1.964 8.032 -7.707 1.00 0.00 C ATOM 680 CG LYS A 46 1.536 8.133 -9.163 1.00 0.00 C ATOM 681 CD LYS A 46 2.734 8.129 -10.100 1.00 0.00 C ATOM 682 CE LYS A 46 2.472 8.966 -11.342 1.00 0.00 C ATOM 683 NZ LYS A 46 3.681 9.726 -11.765 1.00 0.00 N ATOM 0 H LYS A 46 3.257 9.537 -6.192 1.00 0.00 H new ATOM 0 HA LYS A 46 0.642 9.702 -7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.047 8.142 -7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.723 7.036 -7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.879 7.299 -9.408 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.960 9.047 -9.311 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.608 8.516 -9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.965 7.105 -10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.148 8.317 -12.156 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.656 9.662 -11.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.461 10.284 -12.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.975 10.364 -10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.452 9.061 -11.977 1.00 0.00 H new ATOM 697 N TYR A 47 1.072 8.155 -4.567 1.00 0.00 N ATOM 698 CA TYR A 47 0.379 7.500 -3.464 1.00 0.00 C ATOM 699 C TYR A 47 -0.529 8.478 -2.726 1.00 0.00 C ATOM 700 O TYR A 47 -1.560 8.088 -2.178 1.00 0.00 O ATOM 701 CB TYR A 47 1.385 6.880 -2.492 1.00 0.00 C ATOM 702 CG TYR A 47 1.135 5.414 -2.224 1.00 0.00 C ATOM 703 CD1 TYR A 47 1.343 4.463 -3.214 1.00 0.00 C ATOM 704 CD2 TYR A 47 0.686 4.982 -0.982 1.00 0.00 C ATOM 705 CE1 TYR A 47 1.111 3.122 -2.975 1.00 0.00 C ATOM 706 CE2 TYR A 47 0.453 3.642 -0.735 1.00 0.00 C ATOM 707 CZ TYR A 47 0.667 2.717 -1.734 1.00 0.00 C ATOM 708 OH TYR A 47 0.435 1.382 -1.492 1.00 0.00 O ATOM 0 H TYR A 47 2.039 8.411 -4.366 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.242 6.708 -3.883 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.391 7.002 -2.895 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.351 7.425 -1.549 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.692 4.777 -4.187 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.516 5.704 -0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.277 2.395 -3.756 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.105 3.322 0.236 1.00 0.00 H new ATOM 0 HH TYR A 47 0.723 0.854 -2.266 1.00 0.00 H new ATOM 718 N GLU A 48 -0.145 9.750 -2.717 1.00 0.00 N ATOM 719 CA GLU A 48 -0.934 10.777 -2.046 1.00 0.00 C ATOM 720 C GLU A 48 -2.174 11.118 -2.864 1.00 0.00 C ATOM 721 O GLU A 48 -3.252 11.343 -2.313 1.00 0.00 O ATOM 722 CB GLU A 48 -0.094 12.035 -1.818 1.00 0.00 C ATOM 723 CG GLU A 48 0.414 12.667 -3.102 1.00 0.00 C ATOM 724 CD GLU A 48 1.130 13.982 -2.860 1.00 0.00 C ATOM 725 OE1 GLU A 48 2.357 13.956 -2.628 1.00 0.00 O ATOM 726 OE2 GLU A 48 0.463 15.037 -2.904 1.00 0.00 O ATOM 0 H GLU A 48 0.704 10.094 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.250 10.387 -1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.691 12.767 -1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.757 11.784 -1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.092 11.974 -3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.425 12.833 -3.778 1.00 0.00 H new ATOM 733 N GLU A 49 -2.016 11.148 -4.184 1.00 0.00 N ATOM 734 CA GLU A 49 -3.125 11.455 -5.079 1.00 0.00 C ATOM 735 C GLU A 49 -4.208 10.385 -4.981 1.00 0.00 C ATOM 736 O GLU A 49 -5.377 10.690 -4.741 1.00 0.00 O ATOM 737 CB GLU A 49 -2.630 11.568 -6.522 1.00 0.00 C ATOM 738 CG GLU A 49 -3.545 12.387 -7.417 1.00 0.00 C ATOM 739 CD GLU A 49 -3.367 13.880 -7.222 1.00 0.00 C ATOM 740 OE1 GLU A 49 -3.345 14.327 -6.056 1.00 0.00 O ATOM 741 OE2 GLU A 49 -3.251 14.602 -8.234 1.00 0.00 O ATOM 0 H GLU A 49 -1.131 10.963 -4.657 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.552 12.411 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.637 12.018 -6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.526 10.567 -6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.349 12.134 -8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.582 12.119 -7.213 1.00 0.00 H new ATOM 748 N LEU A 50 -3.810 9.130 -5.164 1.00 0.00 N ATOM 749 CA LEU A 50 -4.745 8.013 -5.091 1.00 0.00 C ATOM 750 C LEU A 50 -5.312 7.877 -3.681 1.00 0.00 C ATOM 751 O LEU A 50 -6.461 7.475 -3.499 1.00 0.00 O ATOM 752 CB LEU A 50 -4.050 6.712 -5.511 1.00 0.00 C ATOM 753 CG LEU A 50 -4.798 5.424 -5.153 1.00 0.00 C ATOM 754 CD1 LEU A 50 -6.117 5.346 -5.904 1.00 0.00 C ATOM 755 CD2 LEU A 50 -3.936 4.207 -5.455 1.00 0.00 C ATOM 0 H LEU A 50 -2.847 8.861 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.570 8.209 -5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.895 6.734 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.064 6.680 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.014 5.436 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.634 4.424 -5.637 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.738 6.201 -5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.926 5.357 -6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.482 3.300 -5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.690 4.190 -6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.018 4.257 -4.870 1.00 0.00 H new ATOM 767 N GLY A 51 -4.497 8.213 -2.688 1.00 0.00 N ATOM 768 CA GLY A 51 -4.932 8.122 -1.307 1.00 0.00 C ATOM 769 C GLY A 51 -6.084 9.056 -1.000 1.00 0.00 C ATOM 770 O GLY A 51 -7.004 8.697 -0.266 1.00 0.00 O ATOM 0 H GLY A 51 -3.542 8.547 -2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.232 7.097 -1.091 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.094 8.355 -0.649 1.00 0.00 H new ATOM 774 N ALA A 52 -6.036 10.258 -1.565 1.00 0.00 N ATOM 775 CA ALA A 52 -7.085 11.246 -1.348 1.00 0.00 C ATOM 776 C ALA A 52 -8.364 10.855 -2.081 1.00 0.00 C ATOM 777 O ALA A 52 -9.467 11.171 -1.637 1.00 0.00 O ATOM 778 CB ALA A 52 -6.616 12.621 -1.797 1.00 0.00 C ATOM 0 H ALA A 52 -5.282 10.571 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.304 11.281 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.410 13.349 -1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.733 12.909 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.369 12.592 -2.858 1.00 0.00 H new ATOM 784 N LEU A 53 -8.207 10.164 -3.206 1.00 0.00 N ATOM 785 CA LEU A 53 -9.349 9.728 -4.001 1.00 0.00 C ATOM 786 C LEU A 53 -10.003 8.495 -3.385 1.00 0.00 C ATOM 787 O LEU A 53 -11.191 8.505 -3.066 1.00 0.00 O ATOM 788 CB LEU A 53 -8.911 9.429 -5.438 1.00 0.00 C ATOM 789 CG LEU A 53 -9.296 10.494 -6.466 1.00 0.00 C ATOM 790 CD1 LEU A 53 -8.290 11.634 -6.456 1.00 0.00 C ATOM 791 CD2 LEU A 53 -9.396 9.880 -7.855 1.00 0.00 C ATOM 0 H LEU A 53 -7.300 9.894 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.082 10.534 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.828 9.305 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.345 8.477 -5.744 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.272 10.897 -6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.580 12.382 -7.194 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.267 12.090 -5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.300 11.248 -6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.671 10.651 -8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.434 9.450 -8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.155 9.098 -7.853 1.00 0.00 H new ATOM 803 N TYR A 54 -9.218 7.434 -3.221 1.00 0.00 N ATOM 804 CA TYR A 54 -9.722 6.193 -2.644 1.00 0.00 C ATOM 805 C TYR A 54 -10.273 6.427 -1.240 1.00 0.00 C ATOM 806 O TYR A 54 -11.213 5.758 -0.812 1.00 0.00 O ATOM 807 CB TYR A 54 -8.613 5.138 -2.603 1.00 0.00 C ATOM 808 CG TYR A 54 -9.039 3.790 -3.141 1.00 0.00 C ATOM 809 CD1 TYR A 54 -9.783 3.690 -4.309 1.00 0.00 C ATOM 810 CD2 TYR A 54 -8.695 2.617 -2.479 1.00 0.00 C ATOM 811 CE1 TYR A 54 -10.173 2.460 -4.804 1.00 0.00 C ATOM 812 CE2 TYR A 54 -9.082 1.383 -2.967 1.00 0.00 C ATOM 813 CZ TYR A 54 -9.820 1.310 -4.129 1.00 0.00 C ATOM 814 OH TYR A 54 -10.207 0.083 -4.618 1.00 0.00 O ATOM 0 H TYR A 54 -8.232 7.409 -3.479 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.534 5.832 -3.275 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.760 5.497 -3.179 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.275 5.019 -1.574 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.062 4.588 -4.840 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.116 2.671 -1.569 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.751 2.400 -5.714 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -8.808 0.481 -2.441 1.00 0.00 H new ATOM 0 HH TYR A 54 -9.877 -0.624 -4.026 1.00 0.00 H new ATOM 824 N ALA A 55 -9.682 7.383 -0.530 1.00 0.00 N ATOM 825 CA ALA A 55 -10.115 7.707 0.825 1.00 0.00 C ATOM 826 C ALA A 55 -11.418 8.500 0.814 1.00 0.00 C ATOM 827 O ALA A 55 -12.168 8.493 1.790 1.00 0.00 O ATOM 828 CB ALA A 55 -9.029 8.483 1.555 1.00 0.00 C ATOM 0 H ALA A 55 -8.903 7.946 -0.870 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.296 6.771 1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.366 8.718 2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.123 7.880 1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.819 9.408 1.018 1.00 0.00 H new ATOM 834 N LYS A 56 -11.682 9.185 -0.296 1.00 0.00 N ATOM 835 CA LYS A 56 -12.896 9.982 -0.431 1.00 0.00 C ATOM 836 C LYS A 56 -13.991 9.190 -1.140 1.00 0.00 C ATOM 837 O LYS A 56 -14.751 9.740 -1.938 1.00 0.00 O ATOM 838 CB LYS A 56 -12.601 11.271 -1.201 1.00 0.00 C ATOM 839 CG LYS A 56 -13.689 12.324 -1.062 1.00 0.00 C ATOM 840 CD LYS A 56 -14.031 12.955 -2.403 1.00 0.00 C ATOM 841 CE LYS A 56 -15.500 13.337 -2.480 1.00 0.00 C ATOM 842 NZ LYS A 56 -15.779 14.245 -3.627 1.00 0.00 N ATOM 0 H LYS A 56 -11.072 9.204 -1.113 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.247 10.237 0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.657 11.687 -0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.470 11.032 -2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -14.583 11.870 -0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.361 13.098 -0.368 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.415 13.841 -2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.793 12.257 -3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.105 12.435 -2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.798 13.824 -1.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.792 14.482 -3.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.221 15.117 -3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.519 13.772 -4.516 1.00 0.00 H new ATOM 856 N SER A 57 -14.067 7.897 -0.842 1.00 0.00 N ATOM 857 CA SER A 57 -15.068 7.028 -1.448 1.00 0.00 C ATOM 858 C SER A 57 -15.862 6.288 -0.377 1.00 0.00 C ATOM 859 O SER A 57 -15.701 6.544 0.816 1.00 0.00 O ATOM 860 CB SER A 57 -14.401 6.025 -2.391 1.00 0.00 C ATOM 861 OG SER A 57 -13.586 6.684 -3.345 1.00 0.00 O ATOM 0 H SER A 57 -13.446 7.428 -0.183 1.00 0.00 H new ATOM 0 HA SER A 57 -15.756 7.650 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.797 5.325 -1.814 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.165 5.440 -2.903 1.00 0.00 H new ATOM 0 HG SER A 57 -12.819 7.094 -2.893 1.00 0.00 H new ATOM 867 N GLU A 58 -16.718 5.368 -0.811 1.00 0.00 N ATOM 868 CA GLU A 58 -17.537 4.591 0.113 1.00 0.00 C ATOM 869 C GLU A 58 -16.880 3.250 0.430 1.00 0.00 C ATOM 870 O GLU A 58 -17.559 2.233 0.569 1.00 0.00 O ATOM 871 CB GLU A 58 -18.929 4.362 -0.478 1.00 0.00 C ATOM 872 CG GLU A 58 -19.894 5.509 -0.223 1.00 0.00 C ATOM 873 CD GLU A 58 -21.169 5.060 0.466 1.00 0.00 C ATOM 874 OE1 GLU A 58 -21.157 4.928 1.708 1.00 0.00 O ATOM 875 OE2 GLU A 58 -22.177 4.840 -0.237 1.00 0.00 O ATOM 0 H GLU A 58 -16.862 5.143 -1.795 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.630 5.157 1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.837 4.207 -1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -19.347 3.447 -0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.401 6.264 0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -20.146 5.984 -1.171 1.00 0.00 H new ATOM 882 N PHE A 59 -15.555 3.255 0.544 1.00 0.00 N ATOM 883 CA PHE A 59 -14.809 2.039 0.846 1.00 0.00 C ATOM 884 C PHE A 59 -13.695 2.318 1.850 1.00 0.00 C ATOM 885 O PHE A 59 -12.656 1.657 1.838 1.00 0.00 O ATOM 886 CB PHE A 59 -14.221 1.445 -0.435 1.00 0.00 C ATOM 887 CG PHE A 59 -15.195 1.395 -1.577 1.00 0.00 C ATOM 888 CD1 PHE A 59 -16.400 0.723 -1.449 1.00 0.00 C ATOM 889 CD2 PHE A 59 -14.905 2.021 -2.779 1.00 0.00 C ATOM 890 CE1 PHE A 59 -17.298 0.676 -2.498 1.00 0.00 C ATOM 891 CE2 PHE A 59 -15.799 1.977 -3.832 1.00 0.00 C ATOM 892 CZ PHE A 59 -16.997 1.304 -3.691 1.00 0.00 C ATOM 0 H PHE A 59 -14.977 4.088 0.432 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.499 1.320 1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.354 2.034 -0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.865 0.436 -0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -16.640 0.230 -0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.970 2.549 -2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -18.234 0.149 -2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -15.561 2.468 -4.764 1.00 0.00 H new ATOM 0 HZ PHE A 59 -17.697 1.269 -4.512 1.00 0.00 H new ATOM 902 N LYS A 60 -13.917 3.301 2.717 1.00 0.00 N ATOM 903 CA LYS A 60 -12.929 3.666 3.727 1.00 0.00 C ATOM 904 C LYS A 60 -12.694 2.516 4.700 1.00 0.00 C ATOM 905 O LYS A 60 -11.595 2.351 5.228 1.00 0.00 O ATOM 906 CB LYS A 60 -13.385 4.911 4.491 1.00 0.00 C ATOM 907 CG LYS A 60 -14.841 4.861 4.925 1.00 0.00 C ATOM 908 CD LYS A 60 -15.701 5.813 4.109 1.00 0.00 C ATOM 909 CE LYS A 60 -17.163 5.735 4.521 1.00 0.00 C ATOM 910 NZ LYS A 60 -17.406 6.392 5.835 1.00 0.00 N ATOM 0 H LYS A 60 -14.771 3.858 2.741 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.990 3.884 3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.756 5.036 5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.232 5.789 3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.219 3.844 4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.915 5.118 5.982 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.339 6.833 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.607 5.573 3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.781 6.209 3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.470 4.690 4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.414 6.317 6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.836 5.924 6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.138 7.395 5.776 1.00 0.00 H new ATOM 924 N ASP A 61 -13.735 1.722 4.932 1.00 0.00 N ATOM 925 CA ASP A 61 -13.641 0.585 5.841 1.00 0.00 C ATOM 926 C ASP A 61 -13.308 -0.701 5.086 1.00 0.00 C ATOM 927 O ASP A 61 -13.476 -1.800 5.614 1.00 0.00 O ATOM 928 CB ASP A 61 -14.953 0.412 6.609 1.00 0.00 C ATOM 929 CG ASP A 61 -14.993 1.241 7.879 1.00 0.00 C ATOM 930 OD1 ASP A 61 -14.212 2.210 7.980 1.00 0.00 O ATOM 931 OD2 ASP A 61 -15.805 0.920 8.771 1.00 0.00 O ATOM 0 H ASP A 61 -14.652 1.845 4.503 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.834 0.786 6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.787 0.695 5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.088 -0.640 6.861 1.00 0.00 H new ATOM 936 N ARG A 62 -12.835 -0.559 3.850 1.00 0.00 N ATOM 937 CA ARG A 62 -12.482 -1.711 3.030 1.00 0.00 C ATOM 938 C ARG A 62 -10.978 -1.758 2.776 1.00 0.00 C ATOM 939 O ARG A 62 -10.294 -2.687 3.205 1.00 0.00 O ATOM 940 CB ARG A 62 -13.236 -1.665 1.700 1.00 0.00 C ATOM 941 CG ARG A 62 -13.769 -3.016 1.254 1.00 0.00 C ATOM 942 CD ARG A 62 -14.397 -2.938 -0.128 1.00 0.00 C ATOM 943 NE ARG A 62 -13.390 -2.835 -1.182 1.00 0.00 N ATOM 944 CZ ARG A 62 -13.648 -2.406 -2.415 1.00 0.00 C ATOM 945 NH1 ARG A 62 -14.878 -2.037 -2.753 1.00 0.00 N ATOM 946 NH2 ARG A 62 -12.674 -2.343 -3.312 1.00 0.00 N ATOM 0 H ARG A 62 -12.688 0.343 3.396 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.768 -2.613 3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -14.068 -0.967 1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.572 -1.274 0.929 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -12.958 -3.744 1.246 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -14.509 -3.371 1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -15.010 -3.823 -0.298 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -15.062 -2.075 -0.176 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.433 -3.108 -0.959 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.631 -2.082 -2.066 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -15.070 -1.709 -3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.727 -2.623 -3.057 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.872 -2.014 -4.257 1.00 0.00 H new ATOM 960 N VAL A 63 -10.471 -0.748 2.077 1.00 0.00 N ATOM 961 CA VAL A 63 -9.048 -0.672 1.765 1.00 0.00 C ATOM 962 C VAL A 63 -8.441 0.625 2.289 1.00 0.00 C ATOM 963 O VAL A 63 -9.143 1.618 2.479 1.00 0.00 O ATOM 964 CB VAL A 63 -8.798 -0.765 0.249 1.00 0.00 C ATOM 965 CG1 VAL A 63 -7.312 -0.905 -0.041 1.00 0.00 C ATOM 966 CG2 VAL A 63 -9.578 -1.924 -0.352 1.00 0.00 C ATOM 0 H VAL A 63 -11.024 0.029 1.716 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.571 -1.520 2.256 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.149 0.157 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.156 -0.969 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.781 -0.038 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.932 -1.809 0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.388 -1.973 -1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.262 -2.857 0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.644 -1.774 -0.179 1.00 0.00 H new ATOM 976 N VAL A 64 -7.132 0.610 2.521 1.00 0.00 N ATOM 977 CA VAL A 64 -6.433 1.786 3.024 1.00 0.00 C ATOM 978 C VAL A 64 -5.060 1.932 2.372 1.00 0.00 C ATOM 979 O VAL A 64 -4.264 0.993 2.360 1.00 0.00 O ATOM 980 CB VAL A 64 -6.263 1.727 4.555 1.00 0.00 C ATOM 981 CG1 VAL A 64 -5.422 0.524 4.957 1.00 0.00 C ATOM 982 CG2 VAL A 64 -5.647 3.017 5.077 1.00 0.00 C ATOM 0 H VAL A 64 -6.535 -0.203 2.369 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.045 2.651 2.769 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.250 1.616 5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.314 0.501 6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.911 -0.390 4.622 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.437 0.598 4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.535 2.955 6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.669 3.164 4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.295 3.857 4.827 1.00 0.00 H new ATOM 992 N ILE A 65 -4.792 3.116 1.832 1.00 0.00 N ATOM 993 CA ILE A 65 -3.517 3.389 1.179 1.00 0.00 C ATOM 994 C ILE A 65 -2.456 3.793 2.199 1.00 0.00 C ATOM 995 O ILE A 65 -2.602 4.799 2.894 1.00 0.00 O ATOM 996 CB ILE A 65 -3.655 4.505 0.125 1.00 0.00 C ATOM 997 CG1 ILE A 65 -4.828 4.209 -0.812 1.00 0.00 C ATOM 998 CG2 ILE A 65 -2.363 4.654 -0.664 1.00 0.00 C ATOM 999 CD1 ILE A 65 -4.619 2.985 -1.677 1.00 0.00 C ATOM 0 H ILE A 65 -5.441 3.903 1.834 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.209 2.469 0.683 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.853 5.446 0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.732 4.073 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.996 5.073 -1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.478 5.446 -1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.549 4.907 0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.135 3.716 -1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.490 2.837 -2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.734 3.125 -2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.482 2.110 -1.042 1.00 0.00 H new ATOM 1011 N ALA A 66 -1.391 3.002 2.287 1.00 0.00 N ATOM 1012 CA ALA A 66 -0.310 3.278 3.226 1.00 0.00 C ATOM 1013 C ALA A 66 1.049 3.237 2.536 1.00 0.00 C ATOM 1014 O ALA A 66 1.351 2.305 1.790 1.00 0.00 O ATOM 1015 CB ALA A 66 -0.347 2.286 4.378 1.00 0.00 C ATOM 0 H ALA A 66 -1.254 2.165 1.720 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.456 4.284 3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.465 2.503 5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.301 2.369 4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.232 1.274 3.990 1.00 0.00 H new ATOM 1021 N LYS A 67 1.867 4.253 2.791 1.00 0.00 N ATOM 1022 CA LYS A 67 3.196 4.336 2.196 1.00 0.00 C ATOM 1023 C LYS A 67 4.269 3.932 3.203 1.00 0.00 C ATOM 1024 O LYS A 67 4.033 3.936 4.411 1.00 0.00 O ATOM 1025 CB LYS A 67 3.460 5.756 1.691 1.00 0.00 C ATOM 1026 CG LYS A 67 3.875 5.813 0.231 1.00 0.00 C ATOM 1027 CD LYS A 67 4.377 7.196 -0.152 1.00 0.00 C ATOM 1028 CE LYS A 67 3.247 8.214 -0.176 1.00 0.00 C ATOM 1029 NZ LYS A 67 3.616 9.470 0.534 1.00 0.00 N ATOM 0 H LYS A 67 1.632 5.032 3.407 1.00 0.00 H new ATOM 0 HA LYS A 67 3.237 3.644 1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.560 6.355 1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.241 6.210 2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.657 5.077 0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.028 5.545 -0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.141 7.516 0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.850 7.153 -1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.987 8.444 -1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.360 7.782 0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.912 10.206 0.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.641 9.295 1.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.553 9.787 0.214 1.00 0.00 H new ATOM 1043 N VAL A 68 5.448 3.583 2.697 1.00 0.00 N ATOM 1044 CA VAL A 68 6.554 3.178 3.555 1.00 0.00 C ATOM 1045 C VAL A 68 7.865 3.114 2.776 1.00 0.00 C ATOM 1046 O VAL A 68 7.867 2.987 1.552 1.00 0.00 O ATOM 1047 CB VAL A 68 6.287 1.806 4.204 1.00 0.00 C ATOM 1048 CG1 VAL A 68 6.183 0.719 3.144 1.00 0.00 C ATOM 1049 CG2 VAL A 68 7.373 1.473 5.217 1.00 0.00 C ATOM 0 H VAL A 68 5.661 3.573 1.700 1.00 0.00 H new ATOM 0 HA VAL A 68 6.639 3.933 4.337 1.00 0.00 H new ATOM 0 HB VAL A 68 5.334 1.856 4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.994 -0.241 3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.364 0.951 2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.116 0.667 2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.167 0.501 5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.341 1.445 4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.390 2.235 5.996 1.00 0.00 H new ATOM 1059 N ASP A 69 8.977 3.197 3.498 1.00 0.00 N ATOM 1060 CA ASP A 69 10.296 3.143 2.879 1.00 0.00 C ATOM 1061 C ASP A 69 10.954 1.792 3.138 1.00 0.00 C ATOM 1062 O ASP A 69 10.758 1.188 4.193 1.00 0.00 O ATOM 1063 CB ASP A 69 11.183 4.268 3.415 1.00 0.00 C ATOM 1064 CG ASP A 69 10.901 5.597 2.742 1.00 0.00 C ATOM 1065 OD1 ASP A 69 9.998 6.321 3.212 1.00 0.00 O ATOM 1066 OD2 ASP A 69 11.583 5.914 1.745 1.00 0.00 O ATOM 0 H ASP A 69 8.991 3.302 4.512 1.00 0.00 H new ATOM 0 HA ASP A 69 10.174 3.272 1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.029 4.368 4.489 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.230 4.004 3.267 1.00 0.00 H new ATOM 1071 N ALA A 70 11.733 1.320 2.170 1.00 0.00 N ATOM 1072 CA ALA A 70 12.416 0.037 2.299 1.00 0.00 C ATOM 1073 C ALA A 70 13.799 0.208 2.919 1.00 0.00 C ATOM 1074 O ALA A 70 14.777 -0.377 2.453 1.00 0.00 O ATOM 1075 CB ALA A 70 12.521 -0.642 0.941 1.00 0.00 C ATOM 0 H ALA A 70 11.907 1.805 1.290 1.00 0.00 H new ATOM 0 HA ALA A 70 11.828 -0.595 2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.033 -1.598 1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.522 -0.809 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 70 13.084 -0.006 0.259 1.00 0.00 H new ATOM 1081 N THR A 71 13.873 1.015 3.973 1.00 0.00 N ATOM 1082 CA THR A 71 15.136 1.265 4.657 1.00 0.00 C ATOM 1083 C THR A 71 14.948 1.252 6.173 1.00 0.00 C ATOM 1084 O THR A 71 15.765 1.801 6.913 1.00 0.00 O ATOM 1085 CB THR A 71 15.722 2.607 4.212 1.00 0.00 C ATOM 1086 OG1 THR A 71 15.128 3.676 4.928 1.00 0.00 O ATOM 1087 CG2 THR A 71 15.533 2.884 2.735 1.00 0.00 C ATOM 0 H THR A 71 13.073 1.507 4.372 1.00 0.00 H new ATOM 0 HA THR A 71 15.830 0.468 4.391 1.00 0.00 H new ATOM 0 HB THR A 71 16.790 2.537 4.418 1.00 0.00 H new ATOM 0 HG1 THR A 71 15.517 4.525 4.631 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.971 3.851 2.487 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.023 2.103 2.153 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.469 2.897 2.501 1.00 0.00 H new ATOM 1095 N ALA A 72 13.868 0.624 6.630 1.00 0.00 N ATOM 1096 CA ALA A 72 13.575 0.545 8.056 1.00 0.00 C ATOM 1097 C ALA A 72 14.325 -0.611 8.710 1.00 0.00 C ATOM 1098 O ALA A 72 15.097 -1.313 8.057 1.00 0.00 O ATOM 1099 CB ALA A 72 12.077 0.396 8.279 1.00 0.00 C ATOM 0 H ALA A 72 13.182 0.163 6.033 1.00 0.00 H new ATOM 0 HA ALA A 72 13.912 1.471 8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.872 0.338 9.348 1.00 0.00 H new ATOM 0 HB2 ALA A 72 11.559 1.257 7.856 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.725 -0.514 7.793 1.00 0.00 H new ATOM 1105 N ASN A 73 14.091 -0.801 10.005 1.00 0.00 N ATOM 1106 CA ASN A 73 14.743 -1.871 10.752 1.00 0.00 C ATOM 1107 C ASN A 73 13.779 -3.028 10.991 1.00 0.00 C ATOM 1108 O ASN A 73 12.590 -2.818 11.231 1.00 0.00 O ATOM 1109 CB ASN A 73 15.268 -1.348 12.094 1.00 0.00 C ATOM 1110 CG ASN A 73 15.742 0.091 12.019 1.00 0.00 C ATOM 1111 OD1 ASN A 73 14.800 1.026 12.076 1.00 0.00 O flip ATOM 1112 ND2 ASN A 73 16.938 0.359 11.910 1.00 0.00 N flip ATOM 0 H ASN A 73 13.455 -0.228 10.559 1.00 0.00 H new ATOM 0 HA ASN A 73 15.583 -2.231 10.159 1.00 0.00 H new ATOM 0 HB2 ASN A 73 14.480 -1.428 12.843 1.00 0.00 H new ATOM 0 HB3 ASN A 73 16.091 -1.980 12.428 1.00 0.00 H new ATOM 0 HD21 ASN A 73 17.627 -0.392 11.870 1.00 0.00 H new ATOM 0 HD22 ASN A 73 17.240 1.332 11.860 1.00 0.00 H new ATOM 1119 N ASP A 74 14.298 -4.250 10.925 1.00 0.00 N ATOM 1120 CA ASP A 74 13.481 -5.440 11.135 1.00 0.00 C ATOM 1121 C ASP A 74 12.404 -5.558 10.060 1.00 0.00 C ATOM 1122 O ASP A 74 11.222 -5.722 10.364 1.00 0.00 O ATOM 1123 CB ASP A 74 12.837 -5.405 12.523 1.00 0.00 C ATOM 1124 CG ASP A 74 12.580 -6.792 13.078 1.00 0.00 C ATOM 1125 OD1 ASP A 74 13.530 -7.602 13.112 1.00 0.00 O ATOM 1126 OD2 ASP A 74 11.430 -7.068 13.477 1.00 0.00 O ATOM 0 H ASP A 74 15.280 -4.442 10.728 1.00 0.00 H new ATOM 0 HA ASP A 74 14.130 -6.313 11.068 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.485 -4.858 13.207 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.896 -4.858 12.470 1.00 0.00 H new ATOM 1131 N VAL A 75 12.821 -5.473 8.801 1.00 0.00 N ATOM 1132 CA VAL A 75 11.896 -5.570 7.680 1.00 0.00 C ATOM 1133 C VAL A 75 12.482 -6.429 6.559 1.00 0.00 C ATOM 1134 O VAL A 75 13.101 -5.915 5.628 1.00 0.00 O ATOM 1135 CB VAL A 75 11.542 -4.174 7.125 1.00 0.00 C ATOM 1136 CG1 VAL A 75 12.799 -3.435 6.689 1.00 0.00 C ATOM 1137 CG2 VAL A 75 10.548 -4.284 5.974 1.00 0.00 C ATOM 0 H VAL A 75 13.795 -5.337 8.532 1.00 0.00 H new ATOM 0 HA VAL A 75 10.987 -6.042 8.052 1.00 0.00 H new ATOM 0 HB VAL A 75 11.070 -3.600 7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.528 -2.453 6.301 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.466 -3.316 7.543 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.305 -4.006 5.910 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.314 -3.288 5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.984 -4.880 5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.635 -4.763 6.327 1.00 0.00 H new ATOM 1147 N PRO A 76 12.293 -7.758 6.638 1.00 0.00 N ATOM 1148 CA PRO A 76 12.805 -8.691 5.629 1.00 0.00 C ATOM 1149 C PRO A 76 12.060 -8.577 4.304 1.00 0.00 C ATOM 1150 O PRO A 76 11.178 -9.381 4.003 1.00 0.00 O ATOM 1151 CB PRO A 76 12.564 -10.064 6.261 1.00 0.00 C ATOM 1152 CG PRO A 76 11.422 -9.855 7.193 1.00 0.00 C ATOM 1153 CD PRO A 76 11.566 -8.453 7.717 1.00 0.00 C ATOM 0 HA PRO A 76 13.849 -8.496 5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.326 -10.812 5.505 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.449 -10.417 6.791 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.470 -9.983 6.678 1.00 0.00 H new ATOM 0 HG3 PRO A 76 11.445 -10.580 8.007 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.596 -7.994 7.909 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.121 -8.430 8.655 1.00 0.00 H new ATOM 1161 N ASP A 77 12.421 -7.570 3.515 1.00 0.00 N ATOM 1162 CA ASP A 77 11.786 -7.347 2.221 1.00 0.00 C ATOM 1163 C ASP A 77 12.749 -7.653 1.077 1.00 0.00 C ATOM 1164 O ASP A 77 13.665 -6.880 0.799 1.00 0.00 O ATOM 1165 CB ASP A 77 11.294 -5.903 2.115 1.00 0.00 C ATOM 1166 CG ASP A 77 12.406 -4.895 2.331 1.00 0.00 C ATOM 1167 OD1 ASP A 77 13.221 -5.100 3.254 1.00 0.00 O ATOM 1168 OD2 ASP A 77 12.461 -3.902 1.576 1.00 0.00 O ATOM 0 H ASP A 77 13.150 -6.896 3.749 1.00 0.00 H new ATOM 0 HA ASP A 77 10.934 -8.023 2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.850 -5.745 1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.508 -5.735 2.851 1.00 0.00 H new ATOM 1173 N GLU A 78 12.529 -8.784 0.413 1.00 0.00 N ATOM 1174 CA GLU A 78 13.371 -9.192 -0.707 1.00 0.00 C ATOM 1175 C GLU A 78 12.616 -9.051 -2.024 1.00 0.00 C ATOM 1176 O GLU A 78 11.736 -9.854 -2.335 1.00 0.00 O ATOM 1177 CB GLU A 78 13.838 -10.638 -0.521 1.00 0.00 C ATOM 1178 CG GLU A 78 15.303 -10.853 -0.866 1.00 0.00 C ATOM 1179 CD GLU A 78 16.185 -10.938 0.364 1.00 0.00 C ATOM 1180 OE1 GLU A 78 16.555 -9.874 0.904 1.00 0.00 O ATOM 1181 OE2 GLU A 78 16.507 -12.068 0.787 1.00 0.00 O ATOM 0 H GLU A 78 11.774 -9.435 0.631 1.00 0.00 H new ATOM 0 HA GLU A 78 14.244 -8.540 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.670 -10.935 0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.227 -11.291 -1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.405 -11.770 -1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.647 -10.035 -1.500 1.00 0.00 H new ATOM 1188 N ILE A 79 12.956 -8.020 -2.792 1.00 0.00 N ATOM 1189 CA ILE A 79 12.299 -7.772 -4.070 1.00 0.00 C ATOM 1190 C ILE A 79 13.303 -7.397 -5.154 1.00 0.00 C ATOM 1191 O ILE A 79 14.424 -6.981 -4.862 1.00 0.00 O ATOM 1192 CB ILE A 79 11.248 -6.653 -3.953 1.00 0.00 C ATOM 1193 CG1 ILE A 79 11.814 -5.462 -3.168 1.00 0.00 C ATOM 1194 CG2 ILE A 79 9.981 -7.186 -3.300 1.00 0.00 C ATOM 1195 CD1 ILE A 79 11.876 -5.684 -1.670 1.00 0.00 C ATOM 0 H ILE A 79 13.681 -7.344 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 79 11.805 -8.702 -4.350 1.00 0.00 H new ATOM 0 HB ILE A 79 10.995 -6.305 -4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 79 12.817 -5.242 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 79 11.202 -4.583 -3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.246 -6.384 -3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.573 -7.996 -3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 79 10.215 -7.560 -2.303 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.287 -4.797 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 79 10.873 -5.873 -1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.513 -6.542 -1.455 1.00 0.00 H new ATOM 1207 N GLN A 80 12.890 -7.551 -6.409 1.00 0.00 N ATOM 1208 CA GLN A 80 13.746 -7.232 -7.545 1.00 0.00 C ATOM 1209 C GLN A 80 13.970 -5.727 -7.662 1.00 0.00 C ATOM 1210 O GLN A 80 15.107 -5.257 -7.640 1.00 0.00 O ATOM 1211 CB GLN A 80 13.132 -7.771 -8.839 1.00 0.00 C ATOM 1212 CG GLN A 80 14.154 -8.363 -9.796 1.00 0.00 C ATOM 1213 CD GLN A 80 13.611 -8.522 -11.203 1.00 0.00 C ATOM 1214 OE1 GLN A 80 14.256 -8.135 -12.177 1.00 0.00 O ATOM 1215 NE2 GLN A 80 12.417 -9.093 -11.316 1.00 0.00 N ATOM 0 H GLN A 80 11.965 -7.896 -6.664 1.00 0.00 H new ATOM 0 HA GLN A 80 14.712 -7.709 -7.381 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.394 -8.534 -8.591 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.600 -6.964 -9.343 1.00 0.00 H new ATOM 0 HG2 GLN A 80 15.036 -7.723 -9.821 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.476 -9.335 -9.423 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.917 -9.399 -10.481 1.00 0.00 H new ATOM 0 HE22 GLN A 80 12.000 -9.225 -12.237 1.00 0.00 H new ATOM 1224 N GLY A 81 12.880 -4.973 -7.789 1.00 0.00 N ATOM 1225 CA GLY A 81 12.991 -3.529 -7.909 1.00 0.00 C ATOM 1226 C GLY A 81 12.359 -2.798 -6.741 1.00 0.00 C ATOM 1227 O GLY A 81 11.318 -3.211 -6.230 1.00 0.00 O ATOM 0 H GLY A 81 11.926 -5.334 -7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.043 -3.254 -7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.515 -3.207 -8.835 1.00 0.00 H new ATOM 1231 N PHE A 82 13.004 -1.719 -6.304 1.00 0.00 N ATOM 1232 CA PHE A 82 12.527 -0.935 -5.179 1.00 0.00 C ATOM 1233 C PHE A 82 11.066 -0.675 -5.167 1.00 0.00 C ATOM 1234 O PHE A 82 10.432 -0.843 -4.125 1.00 0.00 O ATOM 1235 CB PHE A 82 13.289 0.367 -5.081 1.00 0.00 C ATOM 1236 CG PHE A 82 14.265 0.312 -3.976 1.00 0.00 C ATOM 1237 CD1 PHE A 82 13.822 0.099 -2.689 1.00 0.00 C ATOM 1238 CD2 PHE A 82 15.612 0.426 -4.223 1.00 0.00 C ATOM 1239 CE1 PHE A 82 14.723 0.011 -1.648 1.00 0.00 C ATOM 1240 CE2 PHE A 82 16.519 0.336 -3.199 1.00 0.00 C ATOM 1241 CZ PHE A 82 16.079 0.130 -1.903 1.00 0.00 C ATOM 0 H PHE A 82 13.867 -1.369 -6.720 1.00 0.00 H new ATOM 0 HA PHE A 82 12.717 -1.555 -4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 82 13.805 0.565 -6.020 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.594 1.191 -4.920 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.764 0.000 -2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 82 15.959 0.588 -5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.373 -0.150 -0.639 1.00 0.00 H new ATOM 0 HE2 PHE A 82 17.576 0.426 -3.403 1.00 0.00 H new ATOM 0 HZ PHE A 82 16.791 0.062 -1.093 1.00 0.00 H new ATOM 1251 N PRO A 83 10.483 -0.240 -6.258 1.00 0.00 N ATOM 1252 CA PRO A 83 9.087 0.033 -6.221 1.00 0.00 C ATOM 1253 C PRO A 83 8.290 -1.252 -6.065 1.00 0.00 C ATOM 1254 O PRO A 83 7.721 -1.776 -7.023 1.00 0.00 O ATOM 1255 CB PRO A 83 8.792 0.740 -7.539 1.00 0.00 C ATOM 1256 CG PRO A 83 10.119 1.002 -8.180 1.00 0.00 C ATOM 1257 CD PRO A 83 11.096 0.044 -7.559 1.00 0.00 C ATOM 0 HA PRO A 83 8.803 0.652 -5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.165 0.121 -8.181 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.252 1.671 -7.369 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.064 0.853 -9.258 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.431 2.033 -8.016 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.214 -0.859 -8.157 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.086 0.487 -7.452 1.00 0.00 H new ATOM 1265 N THR A 84 8.290 -1.762 -4.842 1.00 0.00 N ATOM 1266 CA THR A 84 7.610 -3.001 -4.515 1.00 0.00 C ATOM 1267 C THR A 84 6.233 -2.734 -3.915 1.00 0.00 C ATOM 1268 O THR A 84 6.060 -1.818 -3.113 1.00 0.00 O ATOM 1269 CB THR A 84 8.491 -3.810 -3.551 1.00 0.00 C ATOM 1270 OG1 THR A 84 9.199 -4.810 -4.259 1.00 0.00 O ATOM 1271 CG2 THR A 84 7.730 -4.497 -2.433 1.00 0.00 C ATOM 0 H THR A 84 8.762 -1.326 -4.050 1.00 0.00 H new ATOM 0 HA THR A 84 7.450 -3.577 -5.427 1.00 0.00 H new ATOM 0 HB THR A 84 9.158 -3.076 -3.098 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.563 -5.396 -4.720 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.429 -5.045 -1.800 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.208 -3.750 -1.835 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.005 -5.191 -2.859 1.00 0.00 H new ATOM 1279 N ILE A 85 5.258 -3.546 -4.308 1.00 0.00 N ATOM 1280 CA ILE A 85 3.896 -3.405 -3.810 1.00 0.00 C ATOM 1281 C ILE A 85 3.488 -4.627 -2.997 1.00 0.00 C ATOM 1282 O ILE A 85 3.476 -5.748 -3.506 1.00 0.00 O ATOM 1283 CB ILE A 85 2.888 -3.210 -4.959 1.00 0.00 C ATOM 1284 CG1 ILE A 85 3.468 -2.288 -6.035 1.00 0.00 C ATOM 1285 CG2 ILE A 85 1.578 -2.652 -4.423 1.00 0.00 C ATOM 1286 CD1 ILE A 85 2.539 -2.068 -7.209 1.00 0.00 C ATOM 0 H ILE A 85 5.387 -4.310 -4.971 1.00 0.00 H new ATOM 0 HA ILE A 85 3.881 -2.519 -3.175 1.00 0.00 H new ATOM 0 HB ILE A 85 2.690 -4.180 -5.414 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.707 -1.324 -5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.405 -2.711 -6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.875 -2.519 -5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.158 -3.346 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.761 -1.690 -3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.016 -1.405 -7.931 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.320 -3.024 -7.684 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.611 -1.616 -6.859 1.00 0.00 H new ATOM 1298 N LYS A 86 3.155 -4.404 -1.730 1.00 0.00 N ATOM 1299 CA LYS A 86 2.746 -5.487 -0.845 1.00 0.00 C ATOM 1300 C LYS A 86 1.239 -5.457 -0.611 1.00 0.00 C ATOM 1301 O LYS A 86 0.716 -4.533 0.013 1.00 0.00 O ATOM 1302 CB LYS A 86 3.488 -5.391 0.490 1.00 0.00 C ATOM 1303 CG LYS A 86 4.642 -6.372 0.615 1.00 0.00 C ATOM 1304 CD LYS A 86 5.837 -5.744 1.315 1.00 0.00 C ATOM 1305 CE LYS A 86 7.041 -6.672 1.301 1.00 0.00 C ATOM 1306 NZ LYS A 86 7.671 -6.745 -0.046 1.00 0.00 N ATOM 0 H LYS A 86 3.161 -3.482 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 86 3.001 -6.432 -1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.869 -4.377 0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.783 -5.567 1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.315 -7.251 1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.939 -6.714 -0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.094 -4.805 0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.572 -5.505 2.345 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.776 -6.324 2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.733 -7.670 1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.910 -7.733 -0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.007 -6.384 -0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.537 -6.169 -0.056 1.00 0.00 H new ATOM 1320 N LEU A 87 0.548 -6.472 -1.117 1.00 0.00 N ATOM 1321 CA LEU A 87 -0.899 -6.560 -0.966 1.00 0.00 C ATOM 1322 C LEU A 87 -1.273 -7.481 0.192 1.00 0.00 C ATOM 1323 O LEU A 87 -0.722 -8.574 0.334 1.00 0.00 O ATOM 1324 CB LEU A 87 -1.537 -7.062 -2.265 1.00 0.00 C ATOM 1325 CG LEU A 87 -2.538 -6.101 -2.906 1.00 0.00 C ATOM 1326 CD1 LEU A 87 -3.749 -5.915 -2.006 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -1.878 -4.762 -3.198 1.00 0.00 C ATOM 0 H LEU A 87 0.966 -7.245 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.278 -5.562 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.745 -7.271 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.041 -8.007 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.874 -6.531 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.451 -5.228 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.235 -6.878 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.430 -5.506 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.605 -4.090 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.514 -4.325 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.042 -4.910 -3.881 1.00 0.00 H new ATOM 1339 N TYR A 88 -2.215 -7.030 1.016 1.00 0.00 N ATOM 1340 CA TYR A 88 -2.669 -7.809 2.162 1.00 0.00 C ATOM 1341 C TYR A 88 -4.195 -7.840 2.224 1.00 0.00 C ATOM 1342 O TYR A 88 -4.819 -6.942 2.790 1.00 0.00 O ATOM 1343 CB TYR A 88 -2.104 -7.223 3.456 1.00 0.00 C ATOM 1344 CG TYR A 88 -0.649 -7.566 3.686 1.00 0.00 C ATOM 1345 CD1 TYR A 88 -0.273 -8.839 4.093 1.00 0.00 C ATOM 1346 CD2 TYR A 88 0.347 -6.616 3.493 1.00 0.00 C ATOM 1347 CE1 TYR A 88 1.056 -9.157 4.303 1.00 0.00 C ATOM 1348 CE2 TYR A 88 1.677 -6.927 3.701 1.00 0.00 C ATOM 1349 CZ TYR A 88 2.026 -8.198 4.106 1.00 0.00 C ATOM 1350 OH TYR A 88 3.350 -8.511 4.313 1.00 0.00 O ATOM 0 H TYR A 88 -2.679 -6.128 0.910 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.307 -8.831 2.047 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.215 -6.139 3.434 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.693 -7.587 4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.031 -9.593 4.248 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.077 -5.620 3.176 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.333 -10.152 4.620 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.440 -6.178 3.547 1.00 0.00 H new ATOM 0 HH TYR A 88 3.905 -7.724 4.129 1.00 0.00 H new ATOM 1360 N PRO A 89 -4.819 -8.877 1.638 1.00 0.00 N ATOM 1361 CA PRO A 89 -6.278 -9.017 1.627 1.00 0.00 C ATOM 1362 C PRO A 89 -6.837 -9.396 2.994 1.00 0.00 C ATOM 1363 O PRO A 89 -6.325 -10.298 3.657 1.00 0.00 O ATOM 1364 CB PRO A 89 -6.517 -10.144 0.622 1.00 0.00 C ATOM 1365 CG PRO A 89 -5.272 -10.959 0.667 1.00 0.00 C ATOM 1366 CD PRO A 89 -4.152 -9.992 0.936 1.00 0.00 C ATOM 0 HA PRO A 89 -6.774 -8.082 1.368 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.390 -10.738 0.893 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.697 -9.751 -0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.330 -11.716 1.449 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.116 -11.485 -0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.372 -10.443 1.549 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.679 -9.659 0.012 1.00 0.00 H new ATOM 1374 N ALA A 90 -7.892 -8.702 3.408 1.00 0.00 N ATOM 1375 CA ALA A 90 -8.524 -8.967 4.694 1.00 0.00 C ATOM 1376 C ALA A 90 -9.276 -10.293 4.670 1.00 0.00 C ATOM 1377 O ALA A 90 -10.226 -10.466 3.907 1.00 0.00 O ATOM 1378 CB ALA A 90 -9.463 -7.828 5.065 1.00 0.00 C ATOM 0 H ALA A 90 -8.327 -7.952 2.871 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.742 -9.037 5.450 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.928 -8.039 6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.899 -6.898 5.131 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.236 -7.730 4.302 1.00 0.00 H new ATOM 1384 N GLY A 91 -8.841 -11.228 5.508 1.00 0.00 N ATOM 1385 CA GLY A 91 -9.481 -12.529 5.566 1.00 0.00 C ATOM 1386 C GLY A 91 -8.567 -13.642 5.092 1.00 0.00 C ATOM 1387 O GLY A 91 -8.601 -14.752 5.623 1.00 0.00 O ATOM 0 H GLY A 91 -8.056 -11.108 6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.795 -12.731 6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.382 -12.516 4.953 1.00 0.00 H new ATOM 1391 N ALA A 92 -7.745 -13.341 4.092 1.00 0.00 N ATOM 1392 CA ALA A 92 -6.813 -14.321 3.547 1.00 0.00 C ATOM 1393 C ALA A 92 -5.370 -13.834 3.655 1.00 0.00 C ATOM 1394 O ALA A 92 -4.480 -14.350 2.980 1.00 0.00 O ATOM 1395 CB ALA A 92 -7.159 -14.627 2.097 1.00 0.00 C ATOM 0 H ALA A 92 -7.705 -12.426 3.643 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.904 -15.234 4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.456 -15.360 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.171 -15.028 2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.099 -13.712 1.508 1.00 0.00 H new ATOM 1401 N LYS A 93 -5.143 -12.838 4.509 1.00 0.00 N ATOM 1402 CA LYS A 93 -3.806 -12.286 4.702 1.00 0.00 C ATOM 1403 C LYS A 93 -2.836 -13.367 5.176 1.00 0.00 C ATOM 1404 O LYS A 93 -3.163 -14.553 5.168 1.00 0.00 O ATOM 1405 CB LYS A 93 -3.844 -11.126 5.707 1.00 0.00 C ATOM 1406 CG LYS A 93 -4.748 -11.370 6.908 1.00 0.00 C ATOM 1407 CD LYS A 93 -4.442 -12.698 7.583 1.00 0.00 C ATOM 1408 CE LYS A 93 -4.914 -12.711 9.028 1.00 0.00 C ATOM 1409 NZ LYS A 93 -3.993 -13.483 9.907 1.00 0.00 N ATOM 0 H LYS A 93 -5.867 -12.398 5.077 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.454 -11.906 3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.831 -10.934 6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.178 -10.225 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.625 -10.560 7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.790 -11.356 6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.925 -13.506 7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.369 -12.886 7.548 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.991 -11.687 9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.913 -13.144 9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.351 -13.467 10.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.939 -14.467 9.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.046 -13.055 9.878 1.00 0.00 H new ATOM 1423 N GLY A 94 -1.640 -12.951 5.584 1.00 0.00 N ATOM 1424 CA GLY A 94 -0.644 -13.898 6.050 1.00 0.00 C ATOM 1425 C GLY A 94 0.467 -14.115 5.041 1.00 0.00 C ATOM 1426 O GLY A 94 1.542 -14.606 5.388 1.00 0.00 O ATOM 0 H GLY A 94 -1.344 -11.975 5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.216 -13.539 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.126 -14.851 6.265 1.00 0.00 H new ATOM 1430 N GLN A 95 0.215 -13.740 3.790 1.00 0.00 N ATOM 1431 CA GLN A 95 1.210 -13.888 2.734 1.00 0.00 C ATOM 1432 C GLN A 95 1.392 -12.571 1.976 1.00 0.00 C ATOM 1433 O GLN A 95 0.483 -12.113 1.285 1.00 0.00 O ATOM 1434 CB GLN A 95 0.813 -15.017 1.771 1.00 0.00 C ATOM 1435 CG GLN A 95 -0.343 -14.679 0.838 1.00 0.00 C ATOM 1436 CD GLN A 95 -1.611 -14.309 1.583 1.00 0.00 C ATOM 1437 OE1 GLN A 95 -1.918 -13.018 1.625 1.00 0.00 O flip ATOM 1438 NE2 GLN A 95 -2.306 -15.175 2.113 1.00 0.00 N flip ATOM 0 H GLN A 95 -0.668 -13.332 3.484 1.00 0.00 H new ATOM 0 HA GLN A 95 2.162 -14.151 3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 95 1.681 -15.285 1.169 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.545 -15.897 2.355 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.052 -13.851 0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.543 -15.533 0.191 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.031 -16.156 2.055 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.157 -14.912 2.610 1.00 0.00 H new ATOM 1447 N PRO A 96 2.571 -11.931 2.103 1.00 0.00 N ATOM 1448 CA PRO A 96 2.852 -10.659 1.430 1.00 0.00 C ATOM 1449 C PRO A 96 2.940 -10.813 -0.084 1.00 0.00 C ATOM 1450 O PRO A 96 3.814 -11.513 -0.596 1.00 0.00 O ATOM 1451 CB PRO A 96 4.213 -10.229 1.999 1.00 0.00 C ATOM 1452 CG PRO A 96 4.445 -11.101 3.188 1.00 0.00 C ATOM 1453 CD PRO A 96 3.712 -12.380 2.914 1.00 0.00 C ATOM 0 HA PRO A 96 2.058 -9.932 1.603 1.00 0.00 H new ATOM 0 HB2 PRO A 96 5.004 -10.355 1.260 1.00 0.00 H new ATOM 0 HB3 PRO A 96 4.205 -9.176 2.281 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.509 -11.285 3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.075 -10.627 4.097 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.334 -13.096 2.377 1.00 0.00 H new ATOM 0 HD3 PRO A 96 3.388 -12.866 3.834 1.00 0.00 H new ATOM 1461 N VAL A 97 2.037 -10.149 -0.798 1.00 0.00 N ATOM 1462 CA VAL A 97 2.024 -10.211 -2.255 1.00 0.00 C ATOM 1463 C VAL A 97 3.072 -9.273 -2.842 1.00 0.00 C ATOM 1464 O VAL A 97 2.899 -8.055 -2.841 1.00 0.00 O ATOM 1465 CB VAL A 97 0.641 -9.841 -2.824 1.00 0.00 C ATOM 1466 CG1 VAL A 97 0.605 -10.060 -4.329 1.00 0.00 C ATOM 1467 CG2 VAL A 97 -0.452 -10.644 -2.135 1.00 0.00 C ATOM 0 H VAL A 97 1.307 -9.563 -0.393 1.00 0.00 H new ATOM 0 HA VAL A 97 2.254 -11.239 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 97 0.461 -8.784 -2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.380 -9.793 -4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.361 -9.436 -4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.808 -11.108 -4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.422 -10.369 -2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.277 -11.708 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.441 -10.431 -1.066 1.00 0.00 H new ATOM 1477 N THR A 98 4.163 -9.847 -3.339 1.00 0.00 N ATOM 1478 CA THR A 98 5.242 -9.060 -3.924 1.00 0.00 C ATOM 1479 C THR A 98 5.052 -8.899 -5.428 1.00 0.00 C ATOM 1480 O THR A 98 5.155 -9.865 -6.184 1.00 0.00 O ATOM 1481 CB THR A 98 6.593 -9.718 -3.637 1.00 0.00 C ATOM 1482 OG1 THR A 98 6.460 -11.126 -3.568 1.00 0.00 O ATOM 1483 CG2 THR A 98 7.222 -9.252 -2.342 1.00 0.00 C ATOM 0 H THR A 98 4.323 -10.854 -3.348 1.00 0.00 H new ATOM 0 HA THR A 98 5.221 -8.070 -3.468 1.00 0.00 H new ATOM 0 HB THR A 98 7.240 -9.423 -4.463 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.335 -11.529 -3.386 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.177 -9.757 -2.199 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.384 -8.175 -2.383 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.559 -9.488 -1.510 1.00 0.00 H new ATOM 1491 N TYR A 99 4.777 -7.671 -5.856 1.00 0.00 N ATOM 1492 CA TYR A 99 4.576 -7.383 -7.271 1.00 0.00 C ATOM 1493 C TYR A 99 5.867 -7.587 -8.056 1.00 0.00 C ATOM 1494 O TYR A 99 6.892 -7.976 -7.496 1.00 0.00 O ATOM 1495 CB TYR A 99 4.085 -5.946 -7.456 1.00 0.00 C ATOM 1496 CG TYR A 99 2.598 -5.776 -7.250 1.00 0.00 C ATOM 1497 CD1 TYR A 99 1.944 -6.412 -6.202 1.00 0.00 C ATOM 1498 CD2 TYR A 99 1.849 -4.974 -8.101 1.00 0.00 C ATOM 1499 CE1 TYR A 99 0.585 -6.253 -6.008 1.00 0.00 C ATOM 1500 CE2 TYR A 99 0.490 -4.810 -7.914 1.00 0.00 C ATOM 1501 CZ TYR A 99 -0.137 -5.451 -6.866 1.00 0.00 C ATOM 1502 OH TYR A 99 -1.490 -5.288 -6.675 1.00 0.00 O ATOM 0 H TYR A 99 4.688 -6.860 -5.243 1.00 0.00 H new ATOM 0 HA TYR A 99 3.823 -8.073 -7.651 1.00 0.00 H new ATOM 0 HB2 TYR A 99 4.615 -5.299 -6.757 1.00 0.00 H new ATOM 0 HB3 TYR A 99 4.343 -5.611 -8.460 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.507 -7.041 -5.528 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.337 -4.470 -8.922 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.091 -6.754 -5.189 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.078 -4.183 -8.585 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.734 -4.354 -6.844 1.00 0.00 H new ATOM 1512 N SER A 100 5.809 -7.317 -9.355 1.00 0.00 N ATOM 1513 CA SER A 100 6.973 -7.462 -10.221 1.00 0.00 C ATOM 1514 C SER A 100 7.493 -6.097 -10.665 1.00 0.00 C ATOM 1515 O SER A 100 8.669 -5.946 -10.994 1.00 0.00 O ATOM 1516 CB SER A 100 6.623 -8.311 -11.445 1.00 0.00 C ATOM 1517 OG SER A 100 6.913 -9.679 -11.217 1.00 0.00 O ATOM 0 H SER A 100 4.967 -6.996 -9.832 1.00 0.00 H new ATOM 0 HA SER A 100 7.757 -7.963 -9.654 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.565 -8.195 -11.682 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.184 -7.956 -12.310 1.00 0.00 H new ATOM 0 HG SER A 100 6.679 -10.200 -12.013 1.00 0.00 H new ATOM 1523 N GLY A 101 6.606 -5.105 -10.671 1.00 0.00 N ATOM 1524 CA GLY A 101 6.989 -3.765 -11.074 1.00 0.00 C ATOM 1525 C GLY A 101 5.793 -2.915 -11.452 1.00 0.00 C ATOM 1526 O GLY A 101 4.929 -3.353 -12.212 1.00 0.00 O ATOM 0 H GLY A 101 5.627 -5.207 -10.403 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.531 -3.284 -10.260 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.672 -3.824 -11.921 1.00 0.00 H new ATOM 1530 N SER A 102 5.738 -1.698 -10.920 1.00 0.00 N ATOM 1531 CA SER A 102 4.631 -0.792 -11.209 1.00 0.00 C ATOM 1532 C SER A 102 5.105 0.656 -11.263 1.00 0.00 C ATOM 1533 O SER A 102 6.178 0.990 -10.762 1.00 0.00 O ATOM 1534 CB SER A 102 3.535 -0.942 -10.152 1.00 0.00 C ATOM 1535 OG SER A 102 2.256 -0.684 -10.705 1.00 0.00 O ATOM 0 H SER A 102 6.443 -1.317 -10.289 1.00 0.00 H new ATOM 0 HA SER A 102 4.227 -1.056 -12.186 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.559 -1.950 -9.738 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.724 -0.255 -9.327 1.00 0.00 H new ATOM 0 HG SER A 102 1.572 -0.788 -10.011 1.00 0.00 H new ATOM 1541 N ARG A 103 4.293 1.513 -11.876 1.00 0.00 N ATOM 1542 CA ARG A 103 4.624 2.928 -11.998 1.00 0.00 C ATOM 1543 C ARG A 103 3.360 3.773 -12.138 1.00 0.00 C ATOM 1544 O ARG A 103 3.391 4.860 -12.715 1.00 0.00 O ATOM 1545 CB ARG A 103 5.539 3.156 -13.203 1.00 0.00 C ATOM 1546 CG ARG A 103 5.065 2.458 -14.468 1.00 0.00 C ATOM 1547 CD ARG A 103 4.662 3.456 -15.543 1.00 0.00 C ATOM 1548 NE ARG A 103 3.463 3.032 -16.262 1.00 0.00 N ATOM 1549 CZ ARG A 103 2.951 3.689 -17.301 1.00 0.00 C ATOM 1550 NH1 ARG A 103 3.529 4.798 -17.745 1.00 0.00 N ATOM 1551 NH2 ARG A 103 1.857 3.235 -17.898 1.00 0.00 N ATOM 0 H ARG A 103 3.401 1.251 -12.296 1.00 0.00 H new ATOM 0 HA ARG A 103 5.145 3.234 -11.091 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.613 4.226 -13.395 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.542 2.806 -12.959 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.858 1.814 -14.848 1.00 0.00 H new ATOM 0 HG3 ARG A 103 4.217 1.814 -14.233 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.485 4.430 -15.086 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.483 3.580 -16.249 1.00 0.00 H new ATOM 0 HE ARG A 103 2.991 2.183 -15.950 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.371 5.152 -17.290 1.00 0.00 H new ATOM 0 HH12 ARG A 103 3.132 5.296 -18.541 1.00 0.00 H new ATOM 0 HH21 ARG A 103 1.408 2.383 -17.561 1.00 0.00 H new ATOM 0 HH22 ARG A 103 1.464 3.738 -18.694 1.00 0.00 H new ATOM 1565 N THR A 104 2.250 3.268 -11.607 1.00 0.00 N ATOM 1566 CA THR A 104 0.979 3.978 -11.675 1.00 0.00 C ATOM 1567 C THR A 104 0.001 3.448 -10.631 1.00 0.00 C ATOM 1568 O THR A 104 0.009 2.261 -10.303 1.00 0.00 O ATOM 1569 CB THR A 104 0.374 3.844 -13.072 1.00 0.00 C ATOM 1570 OG1 THR A 104 1.391 3.693 -14.047 1.00 0.00 O ATOM 1571 CG2 THR A 104 -0.472 5.031 -13.471 1.00 0.00 C ATOM 0 H THR A 104 2.206 2.370 -11.125 1.00 0.00 H new ATOM 0 HA THR A 104 1.167 5.031 -11.466 1.00 0.00 H new ATOM 0 HB THR A 104 -0.264 2.961 -13.028 1.00 0.00 H new ATOM 0 HG1 THR A 104 0.984 3.608 -14.934 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.872 4.873 -14.473 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.295 5.145 -12.766 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.140 5.933 -13.463 1.00 0.00 H new ATOM 1579 N VAL A 105 -0.841 4.336 -10.112 1.00 0.00 N ATOM 1580 CA VAL A 105 -1.826 3.959 -9.105 1.00 0.00 C ATOM 1581 C VAL A 105 -3.018 3.249 -9.739 1.00 0.00 C ATOM 1582 O VAL A 105 -3.645 2.392 -9.117 1.00 0.00 O ATOM 1583 CB VAL A 105 -2.332 5.188 -8.327 1.00 0.00 C ATOM 1584 CG1 VAL A 105 -1.254 5.711 -7.391 1.00 0.00 C ATOM 1585 CG2 VAL A 105 -2.790 6.276 -9.287 1.00 0.00 C ATOM 0 H VAL A 105 -0.861 5.322 -10.372 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.327 3.280 -8.414 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.187 4.885 -7.723 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.631 6.579 -6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.980 4.932 -6.680 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.377 5.998 -7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.144 7.137 -8.719 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.956 6.577 -9.920 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.599 5.895 -9.910 1.00 0.00 H new ATOM 1595 N GLU A 106 -3.326 3.613 -10.979 1.00 0.00 N ATOM 1596 CA GLU A 106 -4.444 3.012 -11.697 1.00 0.00 C ATOM 1597 C GLU A 106 -4.251 1.506 -11.846 1.00 0.00 C ATOM 1598 O GLU A 106 -5.209 0.737 -11.774 1.00 0.00 O ATOM 1599 CB GLU A 106 -4.598 3.657 -13.076 1.00 0.00 C ATOM 1600 CG GLU A 106 -3.406 3.429 -13.991 1.00 0.00 C ATOM 1601 CD GLU A 106 -3.374 4.395 -15.158 1.00 0.00 C ATOM 1602 OE1 GLU A 106 -4.024 5.458 -15.066 1.00 0.00 O ATOM 1603 OE2 GLU A 106 -2.700 4.090 -16.164 1.00 0.00 O ATOM 0 H GLU A 106 -2.817 4.321 -11.508 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.350 3.188 -11.118 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.494 3.262 -13.555 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.750 4.729 -12.951 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.486 3.530 -13.415 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.434 2.408 -14.370 1.00 0.00 H new ATOM 1610 N ASP A 107 -3.005 1.092 -12.054 1.00 0.00 N ATOM 1611 CA ASP A 107 -2.686 -0.322 -12.212 1.00 0.00 C ATOM 1612 C ASP A 107 -2.730 -1.042 -10.868 1.00 0.00 C ATOM 1613 O ASP A 107 -3.037 -2.233 -10.800 1.00 0.00 O ATOM 1614 CB ASP A 107 -1.304 -0.487 -12.846 1.00 0.00 C ATOM 1615 CG ASP A 107 -1.169 -1.792 -13.606 1.00 0.00 C ATOM 1616 OD1 ASP A 107 -2.128 -2.171 -14.310 1.00 0.00 O ATOM 1617 OD2 ASP A 107 -0.103 -2.434 -13.499 1.00 0.00 O ATOM 0 H ASP A 107 -2.200 1.716 -12.117 1.00 0.00 H new ATOM 0 HA ASP A 107 -3.434 -0.767 -12.868 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.116 0.346 -13.523 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.542 -0.443 -12.067 1.00 0.00 H new ATOM 1622 N LEU A 108 -2.421 -0.313 -9.801 1.00 0.00 N ATOM 1623 CA LEU A 108 -2.425 -0.881 -8.458 1.00 0.00 C ATOM 1624 C LEU A 108 -3.845 -1.201 -8.005 1.00 0.00 C ATOM 1625 O LEU A 108 -4.139 -2.324 -7.597 1.00 0.00 O ATOM 1626 CB LEU A 108 -1.768 0.088 -7.473 1.00 0.00 C ATOM 1627 CG LEU A 108 -0.892 -0.568 -6.405 1.00 0.00 C ATOM 1628 CD1 LEU A 108 0.273 0.339 -6.041 1.00 0.00 C ATOM 1629 CD2 LEU A 108 -1.717 -0.901 -5.171 1.00 0.00 C ATOM 0 H LEU A 108 -2.164 0.673 -9.840 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.855 -1.810 -8.481 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.159 0.796 -8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.550 0.663 -6.977 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.490 -1.497 -6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.886 -0.144 -5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.878 0.528 -6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.109 1.284 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.078 -1.367 -4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.147 0.014 -4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.518 -1.589 -5.443 1.00 0.00 H new ATOM 1641 N ILE A 109 -4.722 -0.205 -8.077 1.00 0.00 N ATOM 1642 CA ILE A 109 -6.113 -0.376 -7.673 1.00 0.00 C ATOM 1643 C ILE A 109 -6.773 -1.520 -8.438 1.00 0.00 C ATOM 1644 O ILE A 109 -7.464 -2.354 -7.853 1.00 0.00 O ATOM 1645 CB ILE A 109 -6.921 0.918 -7.900 1.00 0.00 C ATOM 1646 CG1 ILE A 109 -8.375 0.730 -7.450 1.00 0.00 C ATOM 1647 CG2 ILE A 109 -6.856 1.328 -9.364 1.00 0.00 C ATOM 1648 CD1 ILE A 109 -9.280 1.888 -7.814 1.00 0.00 C ATOM 0 H ILE A 109 -4.493 0.731 -8.412 1.00 0.00 H new ATOM 0 HA ILE A 109 -6.110 -0.614 -6.609 1.00 0.00 H new ATOM 0 HB ILE A 109 -6.482 1.715 -7.300 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.769 -0.182 -7.898 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.396 0.590 -6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -7.430 2.243 -9.512 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -5.818 1.501 -9.648 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -7.273 0.534 -9.983 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -10.292 1.683 -7.464 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.911 2.800 -7.344 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.290 2.016 -8.896 1.00 0.00 H new ATOM 1660 N LYS A 110 -6.561 -1.549 -9.749 1.00 0.00 N ATOM 1661 CA LYS A 110 -7.140 -2.587 -10.595 1.00 0.00 C ATOM 1662 C LYS A 110 -6.705 -3.976 -10.135 1.00 0.00 C ATOM 1663 O LYS A 110 -7.518 -4.897 -10.057 1.00 0.00 O ATOM 1664 CB LYS A 110 -6.736 -2.366 -12.055 1.00 0.00 C ATOM 1665 CG LYS A 110 -7.887 -1.923 -12.943 1.00 0.00 C ATOM 1666 CD LYS A 110 -7.775 -2.518 -14.338 1.00 0.00 C ATOM 1667 CE LYS A 110 -8.877 -2.006 -15.252 1.00 0.00 C ATOM 1668 NZ LYS A 110 -10.205 -2.577 -14.894 1.00 0.00 N ATOM 0 H LYS A 110 -5.992 -0.866 -10.249 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.225 -2.525 -10.512 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.947 -1.615 -12.095 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.317 -3.291 -12.452 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.833 -2.225 -12.492 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.898 -0.835 -13.010 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.803 -2.269 -14.764 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.828 -3.605 -14.276 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.922 -0.919 -15.193 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.639 -2.260 -16.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.923 -2.230 -15.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.161 -3.615 -14.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.459 -2.285 -13.929 1.00 0.00 H new ATOM 1682 N PHE A 111 -5.419 -4.120 -9.834 1.00 0.00 N ATOM 1683 CA PHE A 111 -4.877 -5.398 -9.385 1.00 0.00 C ATOM 1684 C PHE A 111 -5.502 -5.824 -8.060 1.00 0.00 C ATOM 1685 O PHE A 111 -5.866 -6.986 -7.880 1.00 0.00 O ATOM 1686 CB PHE A 111 -3.356 -5.309 -9.242 1.00 0.00 C ATOM 1687 CG PHE A 111 -2.627 -6.482 -9.832 1.00 0.00 C ATOM 1688 CD1 PHE A 111 -2.556 -6.650 -11.206 1.00 0.00 C ATOM 1689 CD2 PHE A 111 -2.013 -7.417 -9.014 1.00 0.00 C ATOM 1690 CE1 PHE A 111 -1.886 -7.728 -11.753 1.00 0.00 C ATOM 1691 CE2 PHE A 111 -1.341 -8.497 -9.555 1.00 0.00 C ATOM 1692 CZ PHE A 111 -1.278 -8.653 -10.926 1.00 0.00 C ATOM 0 H PHE A 111 -4.732 -3.368 -9.893 1.00 0.00 H new ATOM 0 HA PHE A 111 -5.121 -6.150 -10.136 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -3.007 -4.395 -9.723 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -3.103 -5.229 -8.185 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.030 -5.930 -11.857 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.060 -7.301 -7.941 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.838 -7.847 -12.825 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.866 -9.218 -8.906 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.754 -9.497 -11.351 1.00 0.00 H new ATOM 1702 N ILE A 112 -5.623 -4.877 -7.134 1.00 0.00 N ATOM 1703 CA ILE A 112 -6.203 -5.158 -5.825 1.00 0.00 C ATOM 1704 C ILE A 112 -7.605 -5.745 -5.960 1.00 0.00 C ATOM 1705 O ILE A 112 -8.035 -6.546 -5.131 1.00 0.00 O ATOM 1706 CB ILE A 112 -6.267 -3.887 -4.952 1.00 0.00 C ATOM 1707 CG1 ILE A 112 -4.881 -3.247 -4.842 1.00 0.00 C ATOM 1708 CG2 ILE A 112 -6.816 -4.213 -3.568 1.00 0.00 C ATOM 1709 CD1 ILE A 112 -4.919 -1.737 -4.748 1.00 0.00 C ATOM 0 H ILE A 112 -5.328 -3.910 -7.266 1.00 0.00 H new ATOM 0 HA ILE A 112 -5.553 -5.887 -5.340 1.00 0.00 H new ATOM 0 HB ILE A 112 -6.941 -3.175 -5.428 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.374 -3.645 -3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.287 -3.534 -5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -6.853 -3.304 -2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -7.820 -4.626 -3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.168 -4.942 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.902 -1.351 -4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.397 -1.329 -5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.485 -1.442 -3.865 1.00 0.00 H new ATOM 1721 N ALA A 113 -8.312 -5.344 -7.011 1.00 0.00 N ATOM 1722 CA ALA A 113 -9.663 -5.834 -7.252 1.00 0.00 C ATOM 1723 C ALA A 113 -9.638 -7.240 -7.841 1.00 0.00 C ATOM 1724 O ALA A 113 -10.551 -8.034 -7.615 1.00 0.00 O ATOM 1725 CB ALA A 113 -10.415 -4.885 -8.173 1.00 0.00 C ATOM 0 H ALA A 113 -7.972 -4.682 -7.708 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.183 -5.878 -6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -11.422 -5.265 -8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -10.472 -3.899 -7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -9.890 -4.810 -9.125 1.00 0.00 H new ATOM 1731 N GLU A 114 -8.586 -7.541 -8.594 1.00 0.00 N ATOM 1732 CA GLU A 114 -8.441 -8.853 -9.213 1.00 0.00 C ATOM 1733 C GLU A 114 -7.967 -9.885 -8.194 1.00 0.00 C ATOM 1734 O GLU A 114 -8.257 -11.075 -8.320 1.00 0.00 O ATOM 1735 CB GLU A 114 -7.455 -8.783 -10.381 1.00 0.00 C ATOM 1736 CG GLU A 114 -8.087 -8.320 -11.684 1.00 0.00 C ATOM 1737 CD GLU A 114 -7.072 -8.149 -12.796 1.00 0.00 C ATOM 1738 OE1 GLU A 114 -6.363 -9.129 -13.110 1.00 0.00 O ATOM 1739 OE2 GLU A 114 -6.985 -7.035 -13.354 1.00 0.00 O ATOM 0 H GLU A 114 -7.822 -6.895 -8.790 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.417 -9.160 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.643 -8.105 -10.120 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.012 -9.768 -10.531 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.842 -9.043 -11.994 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.601 -7.373 -11.518 1.00 0.00 H new ATOM 1746 N ASN A 115 -7.237 -9.421 -7.184 1.00 0.00 N ATOM 1747 CA ASN A 115 -6.723 -10.304 -6.142 1.00 0.00 C ATOM 1748 C ASN A 115 -7.231 -9.876 -4.768 1.00 0.00 C ATOM 1749 O ASN A 115 -6.593 -10.142 -3.750 1.00 0.00 O ATOM 1750 CB ASN A 115 -5.192 -10.307 -6.153 1.00 0.00 C ATOM 1751 CG ASN A 115 -4.622 -10.379 -7.557 1.00 0.00 C ATOM 1752 OD1 ASN A 115 -4.067 -11.400 -7.963 1.00 0.00 O ATOM 1753 ND2 ASN A 115 -4.755 -9.290 -8.305 1.00 0.00 N ATOM 0 H ASN A 115 -6.988 -8.439 -7.065 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.082 -11.313 -6.346 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -4.826 -9.405 -5.662 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -4.829 -11.156 -5.573 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.390 -9.278 -9.257 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -5.222 -8.466 -7.927 1.00 0.00 H new ATOM 1760 N GLY A 116 -8.382 -9.211 -4.747 1.00 0.00 N ATOM 1761 CA GLY A 116 -8.954 -8.758 -3.492 1.00 0.00 C ATOM 1762 C GLY A 116 -10.210 -9.520 -3.119 1.00 0.00 C ATOM 1763 O GLY A 116 -11.013 -9.870 -3.984 1.00 0.00 O ATOM 0 H GLY A 116 -8.928 -8.978 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.215 -8.870 -2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.185 -7.695 -3.564 1.00 0.00 H new ATOM 1767 N LYS A 117 -10.380 -9.778 -1.826 1.00 0.00 N ATOM 1768 CA LYS A 117 -11.547 -10.505 -1.338 1.00 0.00 C ATOM 1769 C LYS A 117 -12.758 -9.583 -1.223 1.00 0.00 C ATOM 1770 O LYS A 117 -13.900 -10.027 -1.336 1.00 0.00 O ATOM 1771 CB LYS A 117 -11.246 -11.141 0.020 1.00 0.00 C ATOM 1772 CG LYS A 117 -10.655 -12.539 -0.081 1.00 0.00 C ATOM 1773 CD LYS A 117 -10.277 -13.087 1.287 1.00 0.00 C ATOM 1774 CE LYS A 117 -11.058 -14.348 1.620 1.00 0.00 C ATOM 1775 NZ LYS A 117 -12.343 -14.041 2.306 1.00 0.00 N ATOM 0 H LYS A 117 -9.725 -9.495 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 117 -11.780 -11.290 -2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -10.553 -10.501 0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -12.166 -11.185 0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -11.376 -13.206 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.773 -12.517 -0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -9.209 -13.303 1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.466 -12.330 2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.259 -14.903 0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.452 -14.993 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.845 -14.927 2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -12.150 -13.534 3.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -12.933 -13.447 1.689 1.00 0.00 H new ATOM 1789 N TYR A 118 -12.501 -8.298 -0.995 1.00 0.00 N ATOM 1790 CA TYR A 118 -13.572 -7.316 -0.864 1.00 0.00 C ATOM 1791 C TYR A 118 -13.877 -6.644 -2.201 1.00 0.00 C ATOM 1792 O TYR A 118 -14.468 -5.565 -2.241 1.00 0.00 O ATOM 1793 CB TYR A 118 -13.194 -6.258 0.174 1.00 0.00 C ATOM 1794 CG TYR A 118 -13.519 -6.658 1.596 1.00 0.00 C ATOM 1795 CD1 TYR A 118 -14.746 -7.227 1.915 1.00 0.00 C ATOM 1796 CD2 TYR A 118 -12.599 -6.465 2.618 1.00 0.00 C ATOM 1797 CE1 TYR A 118 -15.046 -7.592 3.214 1.00 0.00 C ATOM 1798 CE2 TYR A 118 -12.892 -6.828 3.919 1.00 0.00 C ATOM 1799 CZ TYR A 118 -14.116 -7.391 4.211 1.00 0.00 C ATOM 1800 OH TYR A 118 -14.411 -7.754 5.506 1.00 0.00 O ATOM 0 H TYR A 118 -11.561 -7.913 -0.897 1.00 0.00 H new ATOM 0 HA TYR A 118 -14.468 -7.842 -0.535 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.126 -6.053 0.099 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.714 -5.329 -0.061 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -15.477 -7.387 1.136 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -11.639 -6.024 2.393 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -16.004 -8.032 3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -12.166 -6.671 4.703 1.00 0.00 H new ATOM 0 HH TYR A 118 -13.649 -7.546 6.086 1.00 0.00 H new