USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 785 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 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -162:sc= -0.13 (180deg=-0.673) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -178:sc= 1.4 (180deg=1.38) USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= 2.39 (180deg=1.45) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0992 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -70:sc= 1.21 USER MOD Single : A 55 SER OG : rot -21:sc= 0.161 USER MOD Single : A 56 LYS NZ :NH3+ -154:sc= 1.25 (180deg=0.795) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 63:sc= 0.5 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -26:sc= 0.00498 USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -85:sc= 2.13 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0.236 USER MOD Single : A 91 SER OG : rot 64:sc= 0.3 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 0.61 K(o=0.61,f=-0.31) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 99 GLN : amide:sc= 0.751 K(o=0.75,f=-0.085) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 164:sc= 1.19 (180deg=0.994) USER MOD Single : A 115 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N GLY A 19 -3.017 13.919 0.431 1.00 0.00 N ATOM 106 CA GLY A 19 -4.227 13.284 0.973 1.00 0.00 C ATOM 107 C GLY A 19 -3.938 11.927 1.615 1.00 0.00 C ATOM 108 O GLY A 19 -2.969 11.257 1.265 1.00 0.00 O ATOM 0 HA2 GLY A 19 -4.679 13.944 1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.956 13.156 0.173 1.00 0.00 H new ATOM 112 N ASP A 20 -4.797 11.480 2.530 1.00 0.00 N ATOM 113 CA ASP A 20 -4.646 10.205 3.247 1.00 0.00 C ATOM 114 C ASP A 20 -5.898 9.314 3.118 1.00 0.00 C ATOM 115 O ASP A 20 -6.997 9.806 2.845 1.00 0.00 O ATOM 116 CB ASP A 20 -4.362 10.479 4.734 1.00 0.00 C ATOM 117 CG ASP A 20 -3.057 11.253 4.964 1.00 0.00 C ATOM 118 OD1 ASP A 20 -1.974 10.627 4.900 1.00 0.00 O ATOM 119 OD2 ASP A 20 -3.110 12.476 5.238 1.00 0.00 O ATOM 0 H ASP A 20 -5.632 11.999 2.802 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.811 9.670 2.795 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.192 11.044 5.158 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.315 9.531 5.270 1.00 0.00 H new ATOM 124 N ALA A 21 -5.736 8.002 3.340 1.00 0.00 N ATOM 125 CA ALA A 21 -6.774 6.985 3.132 1.00 0.00 C ATOM 126 C ALA A 21 -6.541 5.721 3.994 1.00 0.00 C ATOM 127 O ALA A 21 -6.442 4.597 3.495 1.00 0.00 O ATOM 128 CB ALA A 21 -6.863 6.699 1.628 1.00 0.00 C ATOM 0 H ALA A 21 -4.857 7.610 3.678 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.739 7.360 3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.629 5.945 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.123 7.615 1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.901 6.333 1.270 1.00 0.00 H new ATOM 134 N ASN A 22 -6.439 5.923 5.312 1.00 0.00 N ATOM 135 CA ASN A 22 -6.426 4.891 6.360 1.00 0.00 C ATOM 136 C ASN A 22 -5.230 3.916 6.255 1.00 0.00 C ATOM 137 O ASN A 22 -4.202 4.138 6.899 1.00 0.00 O ATOM 138 CB ASN A 22 -7.794 4.180 6.431 1.00 0.00 C ATOM 139 CG ASN A 22 -8.926 5.141 6.788 1.00 0.00 C ATOM 140 OD1 ASN A 22 -9.029 5.617 7.912 1.00 0.00 O ATOM 141 ND2 ASN A 22 -9.797 5.466 5.846 1.00 0.00 N ATOM 0 H ASN A 22 -6.359 6.863 5.700 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.268 5.396 7.313 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.008 3.710 5.471 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.749 3.383 7.173 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.556 6.114 6.055 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.709 5.068 4.911 1.00 0.00 H new ATOM 148 N ILE A 23 -5.347 2.834 5.469 1.00 0.00 N ATOM 149 CA ILE A 23 -4.279 1.832 5.253 1.00 0.00 C ATOM 150 C ILE A 23 -3.325 2.260 4.114 1.00 0.00 C ATOM 151 O ILE A 23 -2.229 1.713 3.981 1.00 0.00 O ATOM 152 CB ILE A 23 -4.907 0.419 5.070 1.00 0.00 C ATOM 153 CG1 ILE A 23 -5.894 0.059 6.214 1.00 0.00 C ATOM 154 CG2 ILE A 23 -3.833 -0.688 5.012 1.00 0.00 C ATOM 155 CD1 ILE A 23 -7.365 0.305 5.847 1.00 0.00 C ATOM 0 H ILE A 23 -6.201 2.623 4.954 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.645 1.774 6.138 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.445 0.467 4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.764 -0.990 6.480 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.644 0.646 7.098 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.316 -1.657 4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.164 -0.502 4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.260 -0.688 5.939 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.001 0.033 6.690 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.509 1.359 5.609 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.631 -0.302 4.982 1.00 0.00 H new ATOM 167 N PHE A 24 -3.683 3.287 3.332 1.00 0.00 N ATOM 168 CA PHE A 24 -2.785 3.956 2.402 1.00 0.00 C ATOM 169 C PHE A 24 -2.891 5.494 2.491 1.00 0.00 C ATOM 170 O PHE A 24 -3.602 6.051 3.328 1.00 0.00 O ATOM 171 CB PHE A 24 -3.025 3.388 0.995 1.00 0.00 C ATOM 172 CG PHE A 24 -4.274 3.862 0.281 1.00 0.00 C ATOM 173 CD1 PHE A 24 -5.535 3.327 0.602 1.00 0.00 C ATOM 174 CD2 PHE A 24 -4.167 4.844 -0.721 1.00 0.00 C ATOM 175 CE1 PHE A 24 -6.683 3.778 -0.070 1.00 0.00 C ATOM 176 CE2 PHE A 24 -5.319 5.326 -1.363 1.00 0.00 C ATOM 177 CZ PHE A 24 -6.579 4.786 -1.044 1.00 0.00 C ATOM 0 H PHE A 24 -4.625 3.678 3.334 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.749 3.751 2.672 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.163 3.635 0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.065 2.301 1.068 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.620 2.569 1.366 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.196 5.228 -0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.647 3.350 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.238 6.110 -2.101 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.465 5.146 -1.547 1.00 0.00 H new ATOM 187 N ARG A 25 -2.143 6.180 1.629 1.00 0.00 N ATOM 188 CA ARG A 25 -1.989 7.637 1.555 1.00 0.00 C ATOM 189 C ARG A 25 -1.563 8.017 0.131 1.00 0.00 C ATOM 190 O ARG A 25 -0.979 7.186 -0.560 1.00 0.00 O ATOM 191 CB ARG A 25 -0.987 8.065 2.655 1.00 0.00 C ATOM 192 CG ARG A 25 -0.170 9.345 2.396 1.00 0.00 C ATOM 193 CD ARG A 25 0.854 9.576 3.514 1.00 0.00 C ATOM 194 NE ARG A 25 1.641 10.799 3.278 1.00 0.00 N ATOM 195 CZ ARG A 25 1.333 12.030 3.677 1.00 0.00 C ATOM 196 NH1 ARG A 25 0.196 12.310 4.280 1.00 0.00 N ATOM 197 NH2 ARG A 25 2.187 13.009 3.474 1.00 0.00 N ATOM 0 H ARG A 25 -1.591 5.704 0.915 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.921 8.170 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.541 8.199 3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.289 7.244 2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.343 9.266 1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.840 10.202 2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.339 9.652 4.471 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.523 8.718 3.580 1.00 0.00 H new ATOM 0 HE ARG A 25 2.510 10.691 2.756 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.484 11.570 4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.005 13.267 4.571 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.078 12.822 3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.959 13.956 3.777 1.00 0.00 H new ATOM 211 N VAL A 26 -1.844 9.246 -0.300 1.00 0.00 N ATOM 212 CA VAL A 26 -1.406 9.789 -1.601 1.00 0.00 C ATOM 213 C VAL A 26 -0.594 11.079 -1.442 1.00 0.00 C ATOM 214 O VAL A 26 -1.038 12.032 -0.805 1.00 0.00 O ATOM 215 CB VAL A 26 -2.597 9.974 -2.571 1.00 0.00 C ATOM 216 CG1 VAL A 26 -3.680 10.963 -2.100 1.00 0.00 C ATOM 217 CG2 VAL A 26 -2.121 10.376 -3.978 1.00 0.00 C ATOM 0 H VAL A 26 -2.391 9.909 0.249 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.739 9.051 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.068 8.992 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.470 11.022 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.101 10.619 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.237 11.949 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.984 10.497 -4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.573 11.316 -3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.469 9.599 -4.377 1.00 0.00 H new ATOM 227 N ASP A 27 0.590 11.118 -2.057 1.00 0.00 N ATOM 228 CA ASP A 27 1.386 12.334 -2.220 1.00 0.00 C ATOM 229 C ASP A 27 1.130 12.925 -3.613 1.00 0.00 C ATOM 230 O ASP A 27 1.569 12.391 -4.632 1.00 0.00 O ATOM 231 CB ASP A 27 2.872 12.051 -1.978 1.00 0.00 C ATOM 232 CG ASP A 27 3.681 13.358 -1.917 1.00 0.00 C ATOM 233 OD1 ASP A 27 3.906 13.977 -2.983 1.00 0.00 O ATOM 234 OD2 ASP A 27 4.072 13.766 -0.798 1.00 0.00 O ATOM 0 H ASP A 27 1.029 10.291 -2.462 1.00 0.00 H new ATOM 0 HA ASP A 27 1.084 13.070 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.993 11.500 -1.045 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.259 11.417 -2.775 1.00 0.00 H new ATOM 239 N LYS A 28 0.386 14.031 -3.649 1.00 0.00 N ATOM 240 CA LYS A 28 -0.088 14.657 -4.891 1.00 0.00 C ATOM 241 C LYS A 28 1.000 15.469 -5.623 1.00 0.00 C ATOM 242 O LYS A 28 0.909 15.651 -6.839 1.00 0.00 O ATOM 243 CB LYS A 28 -1.303 15.532 -4.532 1.00 0.00 C ATOM 244 CG LYS A 28 -2.549 14.685 -4.206 1.00 0.00 C ATOM 245 CD LYS A 28 -3.573 15.434 -3.342 1.00 0.00 C ATOM 246 CE LYS A 28 -4.002 16.785 -3.938 1.00 0.00 C ATOM 247 NZ LYS A 28 -4.739 17.605 -2.939 1.00 0.00 N ATOM 0 H LYS A 28 0.090 14.526 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.367 13.875 -5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.057 16.160 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.527 16.201 -5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.024 14.375 -5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.239 13.777 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.455 14.807 -3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.149 15.600 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.122 17.330 -4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.633 16.616 -4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.016 18.510 -3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.590 17.094 -2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.127 17.785 -2.118 1.00 0.00 H new ATOM 261 N ASP A 29 2.033 15.929 -4.914 1.00 0.00 N ATOM 262 CA ASP A 29 3.122 16.749 -5.462 1.00 0.00 C ATOM 263 C ASP A 29 4.152 15.901 -6.226 1.00 0.00 C ATOM 264 O ASP A 29 4.470 16.192 -7.380 1.00 0.00 O ATOM 265 CB ASP A 29 3.797 17.506 -4.311 1.00 0.00 C ATOM 266 CG ASP A 29 4.852 18.499 -4.828 1.00 0.00 C ATOM 267 OD1 ASP A 29 4.464 19.529 -5.428 1.00 0.00 O ATOM 268 OD2 ASP A 29 6.065 18.252 -4.625 1.00 0.00 O ATOM 0 H ASP A 29 2.140 15.738 -3.918 1.00 0.00 H new ATOM 0 HA ASP A 29 2.700 17.454 -6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.043 18.043 -3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.268 16.794 -3.633 1.00 0.00 H new ATOM 273 N SER A 30 4.639 14.827 -5.601 1.00 0.00 N ATOM 274 CA SER A 30 5.569 13.865 -6.219 1.00 0.00 C ATOM 275 C SER A 30 4.851 12.749 -7.008 1.00 0.00 C ATOM 276 O SER A 30 5.501 12.009 -7.753 1.00 0.00 O ATOM 277 CB SER A 30 6.487 13.253 -5.146 1.00 0.00 C ATOM 278 OG SER A 30 7.348 14.227 -4.564 1.00 0.00 O ATOM 0 H SER A 30 4.398 14.593 -4.638 1.00 0.00 H new ATOM 0 HA SER A 30 6.165 14.423 -6.941 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.879 12.795 -4.366 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.086 12.459 -5.591 1.00 0.00 H new ATOM 0 HG SER A 30 7.914 13.801 -3.887 1.00 0.00 H new ATOM 284 N ARG A 31 3.519 12.627 -6.860 1.00 0.00 N ATOM 285 CA ARG A 31 2.620 11.733 -7.614 1.00 0.00 C ATOM 286 C ARG A 31 2.787 10.257 -7.189 1.00 0.00 C ATOM 287 O ARG A 31 2.917 9.354 -8.019 1.00 0.00 O ATOM 288 CB ARG A 31 2.776 11.982 -9.134 1.00 0.00 C ATOM 289 CG ARG A 31 1.502 11.735 -9.964 1.00 0.00 C ATOM 290 CD ARG A 31 0.286 12.599 -9.574 1.00 0.00 C ATOM 291 NE ARG A 31 0.630 14.011 -9.301 1.00 0.00 N ATOM 292 CZ ARG A 31 0.982 14.958 -10.162 1.00 0.00 C ATOM 293 NH1 ARG A 31 1.052 14.752 -11.461 1.00 0.00 N ATOM 294 NH2 ARG A 31 1.279 16.150 -9.695 1.00 0.00 N ATOM 0 H ARG A 31 3.012 13.182 -6.171 1.00 0.00 H new ATOM 0 HA ARG A 31 1.585 11.971 -7.367 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.099 13.012 -9.288 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.570 11.339 -9.513 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.732 11.913 -11.014 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.226 10.685 -9.872 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.449 12.561 -10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.186 12.171 -8.690 1.00 0.00 H new ATOM 0 HE ARG A 31 0.592 14.295 -8.322 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.831 13.833 -11.844 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.328 15.511 -12.084 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.236 16.330 -8.692 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.553 16.895 -10.336 1.00 0.00 H new ATOM 308 N GLU A 32 2.823 10.018 -5.876 1.00 0.00 N ATOM 309 CA GLU A 32 3.179 8.736 -5.244 1.00 0.00 C ATOM 310 C GLU A 32 2.038 8.220 -4.354 1.00 0.00 C ATOM 311 O GLU A 32 1.208 9.014 -3.916 1.00 0.00 O ATOM 312 CB GLU A 32 4.458 8.901 -4.395 1.00 0.00 C ATOM 313 CG GLU A 32 5.585 9.640 -5.134 1.00 0.00 C ATOM 314 CD GLU A 32 6.947 9.574 -4.421 1.00 0.00 C ATOM 315 OE1 GLU A 32 7.003 9.433 -3.178 1.00 0.00 O ATOM 316 OE2 GLU A 32 7.996 9.676 -5.100 1.00 0.00 O ATOM 0 H GLU A 32 2.596 10.740 -5.192 1.00 0.00 H new ATOM 0 HA GLU A 32 3.356 8.009 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.213 9.445 -3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.815 7.916 -4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.688 9.218 -6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.301 10.685 -5.257 1.00 0.00 H new ATOM 323 N VAL A 33 2.012 6.916 -4.039 1.00 0.00 N ATOM 324 CA VAL A 33 1.106 6.343 -3.027 1.00 0.00 C ATOM 325 C VAL A 33 1.881 5.553 -1.968 1.00 0.00 C ATOM 326 O VAL A 33 2.807 4.797 -2.256 1.00 0.00 O ATOM 327 CB VAL A 33 -0.065 5.519 -3.618 1.00 0.00 C ATOM 328 CG1 VAL A 33 -1.105 6.428 -4.277 1.00 0.00 C ATOM 329 CG2 VAL A 33 0.345 4.402 -4.586 1.00 0.00 C ATOM 0 H VAL A 33 2.620 6.226 -4.479 1.00 0.00 H new ATOM 0 HA VAL A 33 0.634 7.196 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.501 5.015 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.914 5.821 -4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.506 7.119 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.636 6.993 -5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.546 3.885 -4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.879 4.832 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.993 3.693 -4.070 1.00 0.00 H new ATOM 339 N TYR A 34 1.504 5.758 -0.709 1.00 0.00 N ATOM 340 CA TYR A 34 2.153 5.197 0.468 1.00 0.00 C ATOM 341 C TYR A 34 1.213 4.143 1.050 1.00 0.00 C ATOM 342 O TYR A 34 0.134 4.479 1.527 1.00 0.00 O ATOM 343 CB TYR A 34 2.408 6.313 1.494 1.00 0.00 C ATOM 344 CG TYR A 34 3.544 7.283 1.212 1.00 0.00 C ATOM 345 CD1 TYR A 34 3.486 8.165 0.112 1.00 0.00 C ATOM 346 CD2 TYR A 34 4.626 7.365 2.111 1.00 0.00 C ATOM 347 CE1 TYR A 34 4.507 9.112 -0.094 1.00 0.00 C ATOM 348 CE2 TYR A 34 5.634 8.331 1.927 1.00 0.00 C ATOM 349 CZ TYR A 34 5.577 9.210 0.824 1.00 0.00 C ATOM 350 OH TYR A 34 6.558 10.143 0.651 1.00 0.00 O ATOM 0 H TYR A 34 0.704 6.345 -0.473 1.00 0.00 H new ATOM 0 HA TYR A 34 3.111 4.746 0.211 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.490 6.892 1.596 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.598 5.844 2.460 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.654 8.113 -0.575 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.683 6.683 2.946 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.473 9.764 -0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.451 8.399 2.630 1.00 0.00 H new ATOM 0 HH TYR A 34 7.212 10.068 1.377 1.00 0.00 H new ATOM 360 N MET A 35 1.609 2.875 0.998 1.00 0.00 N ATOM 361 CA MET A 35 0.936 1.759 1.659 1.00 0.00 C ATOM 362 C MET A 35 1.486 1.612 3.081 1.00 0.00 C ATOM 363 O MET A 35 2.660 1.890 3.322 1.00 0.00 O ATOM 364 CB MET A 35 1.196 0.514 0.797 1.00 0.00 C ATOM 365 CG MET A 35 0.507 -0.775 1.247 1.00 0.00 C ATOM 366 SD MET A 35 0.923 -2.226 0.241 1.00 0.00 S ATOM 367 CE MET A 35 0.409 -1.684 -1.413 1.00 0.00 C ATOM 0 H MET A 35 2.436 2.585 0.476 1.00 0.00 H new ATOM 0 HA MET A 35 -0.139 1.914 1.751 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.882 0.732 -0.224 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.271 0.336 0.768 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.776 -0.976 2.284 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.572 -0.626 1.221 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.302 -2.552 -2.063 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.545 -1.162 -1.345 1.00 0.00 H new ATOM 0 HE3 MET A 35 1.162 -1.012 -1.826 1.00 0.00 H new ATOM 377 N HIS A 36 0.686 1.077 4.003 1.00 0.00 N ATOM 378 CA HIS A 36 1.109 0.781 5.387 1.00 0.00 C ATOM 379 C HIS A 36 2.390 -0.092 5.479 1.00 0.00 C ATOM 380 O HIS A 36 3.126 -0.036 6.466 1.00 0.00 O ATOM 381 CB HIS A 36 -0.081 0.117 6.097 1.00 0.00 C ATOM 382 CG HIS A 36 0.176 -0.209 7.545 1.00 0.00 C ATOM 383 ND1 HIS A 36 0.318 0.728 8.572 1.00 0.00 N ATOM 384 CD2 HIS A 36 0.314 -1.462 8.065 1.00 0.00 C ATOM 385 CE1 HIS A 36 0.538 0.011 9.686 1.00 0.00 C ATOM 386 NE2 HIS A 36 0.541 -1.308 9.414 1.00 0.00 N ATOM 0 H HIS A 36 -0.286 0.831 3.816 1.00 0.00 H new ATOM 0 HA HIS A 36 1.386 1.715 5.876 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.945 0.778 6.032 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.341 -0.800 5.569 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.256 -2.395 7.523 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.692 0.435 10.667 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.686 -2.060 10.088 1.00 0.00 H new ATOM 394 N GLU A 37 2.669 -0.869 4.424 1.00 0.00 N ATOM 395 CA GLU A 37 3.876 -1.683 4.261 1.00 0.00 C ATOM 396 C GLU A 37 5.077 -0.890 3.713 1.00 0.00 C ATOM 397 O GLU A 37 6.207 -1.168 4.108 1.00 0.00 O ATOM 398 CB GLU A 37 3.599 -2.819 3.262 1.00 0.00 C ATOM 399 CG GLU A 37 2.488 -3.795 3.663 1.00 0.00 C ATOM 400 CD GLU A 37 2.192 -4.807 2.538 1.00 0.00 C ATOM 401 OE1 GLU A 37 3.044 -4.988 1.631 1.00 0.00 O ATOM 402 OE2 GLU A 37 1.100 -5.419 2.568 1.00 0.00 O ATOM 0 H GLU A 37 2.033 -0.949 3.630 1.00 0.00 H new ATOM 0 HA GLU A 37 4.125 -2.052 5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.341 -2.378 2.299 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.520 -3.384 3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.780 -4.329 4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.582 -3.238 3.901 1.00 0.00 H new ATOM 409 N LYS A 38 4.868 0.035 2.759 1.00 0.00 N ATOM 410 CA LYS A 38 5.907 0.517 1.820 1.00 0.00 C ATOM 411 C LYS A 38 5.469 1.664 0.888 1.00 0.00 C ATOM 412 O LYS A 38 4.288 1.832 0.587 1.00 0.00 O ATOM 413 CB LYS A 38 6.485 -0.677 1.012 1.00 0.00 C ATOM 414 CG LYS A 38 5.481 -1.397 0.087 1.00 0.00 C ATOM 415 CD LYS A 38 5.972 -2.830 -0.196 1.00 0.00 C ATOM 416 CE LYS A 38 5.128 -3.613 -1.218 1.00 0.00 C ATOM 417 NZ LYS A 38 3.719 -3.840 -0.776 1.00 0.00 N ATOM 0 H LYS A 38 3.961 0.478 2.613 1.00 0.00 H new ATOM 0 HA LYS A 38 6.684 0.961 2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.316 -0.316 0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.894 -1.405 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.497 -1.425 0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.374 -0.847 -0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.000 -2.782 -0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.988 -3.385 0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.121 -3.071 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.601 -4.577 -1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.216 -4.401 -1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.717 -4.353 0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.241 -2.924 -0.655 1.00 0.00 H new ATOM 431 N LYS A 39 6.436 2.427 0.366 1.00 0.00 N ATOM 432 CA LYS A 39 6.196 3.488 -0.629 1.00 0.00 C ATOM 433 C LYS A 39 6.285 2.953 -2.073 1.00 0.00 C ATOM 434 O LYS A 39 7.190 2.178 -2.390 1.00 0.00 O ATOM 435 CB LYS A 39 7.201 4.629 -0.371 1.00 0.00 C ATOM 436 CG LYS A 39 6.840 5.915 -1.134 1.00 0.00 C ATOM 437 CD LYS A 39 7.739 7.091 -0.724 1.00 0.00 C ATOM 438 CE LYS A 39 9.133 7.114 -1.366 1.00 0.00 C ATOM 439 NZ LYS A 39 9.077 7.573 -2.778 1.00 0.00 N ATOM 0 H LYS A 39 7.418 2.327 0.622 1.00 0.00 H new ATOM 0 HA LYS A 39 5.180 3.868 -0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.237 4.842 0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.199 4.304 -0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.935 5.741 -2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.798 6.170 -0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.228 8.021 -0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.858 7.074 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.787 7.773 -0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.570 6.116 -1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.011 7.931 -3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.809 6.777 -3.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.373 8.333 -2.868 1.00 0.00 H new ATOM 453 N LEU A 40 5.381 3.404 -2.952 1.00 0.00 N ATOM 454 CA LEU A 40 5.431 3.168 -4.400 1.00 0.00 C ATOM 455 C LEU A 40 4.931 4.402 -5.167 1.00 0.00 C ATOM 456 O LEU A 40 4.173 5.224 -4.657 1.00 0.00 O ATOM 457 CB LEU A 40 4.682 1.872 -4.778 1.00 0.00 C ATOM 458 CG LEU A 40 3.203 1.843 -4.336 1.00 0.00 C ATOM 459 CD1 LEU A 40 2.304 1.335 -5.471 1.00 0.00 C ATOM 460 CD2 LEU A 40 2.994 0.982 -3.083 1.00 0.00 C ATOM 0 H LEU A 40 4.573 3.958 -2.668 1.00 0.00 H new ATOM 0 HA LEU A 40 6.468 3.015 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.729 1.741 -5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.200 1.023 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 40 2.926 2.868 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.267 1.323 -5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.399 1.994 -6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.606 0.326 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.939 0.990 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.308 -0.042 -3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.586 1.385 -2.262 1.00 0.00 H new ATOM 472 N ASP A 41 5.410 4.575 -6.390 1.00 0.00 N ATOM 473 CA ASP A 41 5.612 5.914 -6.951 1.00 0.00 C ATOM 474 C ASP A 41 5.651 5.892 -8.490 1.00 0.00 C ATOM 475 O ASP A 41 6.547 6.437 -9.139 1.00 0.00 O ATOM 476 CB ASP A 41 6.821 6.582 -6.258 1.00 0.00 C ATOM 477 CG ASP A 41 8.014 5.660 -5.957 1.00 0.00 C ATOM 478 OD1 ASP A 41 8.322 4.773 -6.777 1.00 0.00 O ATOM 479 OD2 ASP A 41 8.620 5.811 -4.868 1.00 0.00 O ATOM 0 H ASP A 41 5.667 3.811 -7.016 1.00 0.00 H new ATOM 0 HA ASP A 41 4.753 6.549 -6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.169 7.401 -6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.481 7.022 -5.321 1.00 0.00 H new ATOM 484 N LEU A 42 4.634 5.230 -9.061 1.00 0.00 N ATOM 485 CA LEU A 42 4.340 5.204 -10.497 1.00 0.00 C ATOM 486 C LEU A 42 3.533 6.452 -10.914 1.00 0.00 C ATOM 487 O LEU A 42 4.052 7.572 -10.857 1.00 0.00 O ATOM 488 CB LEU A 42 3.655 3.858 -10.860 1.00 0.00 C ATOM 489 CG LEU A 42 4.561 2.690 -11.249 1.00 0.00 C ATOM 490 CD1 LEU A 42 5.421 3.061 -12.465 1.00 0.00 C ATOM 491 CD2 LEU A 42 5.483 2.264 -10.095 1.00 0.00 C ATOM 0 H LEU A 42 3.972 4.679 -8.514 1.00 0.00 H new ATOM 0 HA LEU A 42 5.264 5.253 -11.073 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.051 3.547 -10.007 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.969 4.042 -11.687 1.00 0.00 H new ATOM 0 HG LEU A 42 3.909 1.852 -11.494 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.060 2.219 -12.729 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.774 3.304 -13.308 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.040 3.925 -12.223 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.108 1.431 -10.417 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.116 3.103 -9.807 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.879 1.955 -9.242 1.00 0.00 H new ATOM 503 N THR A 43 2.287 6.253 -11.364 1.00 0.00 N ATOM 504 CA THR A 43 1.457 7.223 -12.097 1.00 0.00 C ATOM 505 C THR A 43 -0.011 6.855 -11.877 1.00 0.00 C ATOM 506 O THR A 43 -0.307 5.923 -11.131 1.00 0.00 O ATOM 507 CB THR A 43 1.825 7.270 -13.606 1.00 0.00 C ATOM 508 OG1 THR A 43 3.174 6.906 -13.849 1.00 0.00 O ATOM 509 CG2 THR A 43 1.660 8.682 -14.188 1.00 0.00 C ATOM 0 H THR A 43 1.804 5.366 -11.220 1.00 0.00 H new ATOM 0 HA THR A 43 1.641 8.228 -11.716 1.00 0.00 H new ATOM 0 HB THR A 43 1.145 6.561 -14.078 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.356 6.949 -14.811 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.927 8.673 -15.245 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.624 9.002 -14.078 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.312 9.374 -13.655 1.00 0.00 H new ATOM 517 N ARG A 44 -0.944 7.577 -12.503 1.00 0.00 N ATOM 518 CA ARG A 44 -2.384 7.524 -12.204 1.00 0.00 C ATOM 519 C ARG A 44 -2.989 6.121 -12.301 1.00 0.00 C ATOM 520 O ARG A 44 -3.778 5.748 -11.437 1.00 0.00 O ATOM 521 CB ARG A 44 -3.145 8.474 -13.141 1.00 0.00 C ATOM 522 CG ARG A 44 -2.903 9.951 -12.782 1.00 0.00 C ATOM 523 CD ARG A 44 -3.731 10.905 -13.656 1.00 0.00 C ATOM 524 NE ARG A 44 -3.279 10.899 -15.063 1.00 0.00 N ATOM 525 CZ ARG A 44 -2.313 11.640 -15.597 1.00 0.00 C ATOM 526 NH1 ARG A 44 -1.613 12.502 -14.888 1.00 0.00 N ATOM 527 NH2 ARG A 44 -2.035 11.520 -16.877 1.00 0.00 N ATOM 0 H ARG A 44 -0.717 8.232 -13.251 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.488 7.835 -11.164 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.834 8.295 -14.170 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.212 8.258 -13.088 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.152 10.114 -11.733 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.844 10.182 -12.898 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.782 10.618 -13.611 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.660 11.917 -13.257 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.760 10.257 -15.693 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.805 12.619 -13.893 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.879 13.053 -15.334 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.559 10.862 -17.453 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.295 12.085 -17.293 1.00 0.00 H new ATOM 541 N ALA A 45 -2.623 5.324 -13.309 1.00 0.00 N ATOM 542 CA ALA A 45 -3.131 3.962 -13.467 1.00 0.00 C ATOM 543 C ALA A 45 -2.722 3.086 -12.272 1.00 0.00 C ATOM 544 O ALA A 45 -3.573 2.490 -11.608 1.00 0.00 O ATOM 545 CB ALA A 45 -2.609 3.419 -14.809 1.00 0.00 C ATOM 0 H ALA A 45 -1.967 5.606 -14.037 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.221 3.952 -13.482 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.972 2.402 -14.956 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.966 4.052 -15.621 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.519 3.418 -14.802 1.00 0.00 H new ATOM 551 N GLU A 46 -1.425 3.066 -11.967 1.00 0.00 N ATOM 552 CA GLU A 46 -0.804 2.234 -10.938 1.00 0.00 C ATOM 553 C GLU A 46 -1.259 2.631 -9.524 1.00 0.00 C ATOM 554 O GLU A 46 -1.599 1.805 -8.675 1.00 0.00 O ATOM 555 CB GLU A 46 0.699 2.415 -11.116 1.00 0.00 C ATOM 556 CG GLU A 46 1.148 1.875 -12.490 1.00 0.00 C ATOM 557 CD GLU A 46 1.389 2.964 -13.555 1.00 0.00 C ATOM 558 OE1 GLU A 46 0.678 3.996 -13.546 1.00 0.00 O ATOM 559 OE2 GLU A 46 2.266 2.762 -14.426 1.00 0.00 O ATOM 0 H GLU A 46 -0.749 3.656 -12.452 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.097 1.190 -11.047 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.957 3.471 -11.031 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.231 1.892 -10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.066 1.302 -12.359 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.391 1.183 -12.860 1.00 0.00 H new ATOM 566 N TYR A 47 -1.340 3.940 -9.325 1.00 0.00 N ATOM 567 CA TYR A 47 -2.048 4.581 -8.204 1.00 0.00 C ATOM 568 C TYR A 47 -3.492 4.068 -8.062 1.00 0.00 C ATOM 569 O TYR A 47 -3.805 3.493 -7.014 1.00 0.00 O ATOM 570 CB TYR A 47 -1.940 6.114 -8.351 1.00 0.00 C ATOM 571 CG TYR A 47 -2.849 7.059 -7.562 1.00 0.00 C ATOM 572 CD1 TYR A 47 -3.617 6.669 -6.442 1.00 0.00 C ATOM 573 CD2 TYR A 47 -2.925 8.396 -7.998 1.00 0.00 C ATOM 574 CE1 TYR A 47 -4.488 7.579 -5.813 1.00 0.00 C ATOM 575 CE2 TYR A 47 -3.796 9.315 -7.380 1.00 0.00 C ATOM 576 CZ TYR A 47 -4.597 8.902 -6.292 1.00 0.00 C ATOM 577 OH TYR A 47 -5.458 9.773 -5.691 1.00 0.00 O ATOM 0 H TYR A 47 -0.904 4.614 -9.954 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.571 4.305 -7.264 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.913 6.384 -8.106 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.086 6.342 -9.407 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.535 5.661 -6.064 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.305 8.722 -8.820 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.074 7.264 -4.962 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.851 10.333 -7.737 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.411 10.642 -6.141 1.00 0.00 H new ATOM 587 N GLU A 48 -4.368 4.239 -9.062 1.00 0.00 N ATOM 588 CA GLU A 48 -5.771 3.804 -8.974 1.00 0.00 C ATOM 589 C GLU A 48 -5.867 2.326 -8.587 1.00 0.00 C ATOM 590 O GLU A 48 -6.673 1.980 -7.724 1.00 0.00 O ATOM 591 CB GLU A 48 -6.552 4.003 -10.285 1.00 0.00 C ATOM 592 CG GLU A 48 -6.875 5.469 -10.603 1.00 0.00 C ATOM 593 CD GLU A 48 -8.076 5.979 -9.790 1.00 0.00 C ATOM 594 OE1 GLU A 48 -9.237 5.715 -10.188 1.00 0.00 O ATOM 595 OE2 GLU A 48 -7.876 6.675 -8.767 1.00 0.00 O ATOM 0 H GLU A 48 -4.127 4.680 -9.950 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.218 4.435 -8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.974 3.582 -11.108 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.484 3.440 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.003 6.088 -10.390 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.087 5.572 -11.667 1.00 0.00 H new ATOM 602 N ILE A 49 -5.028 1.453 -9.161 1.00 0.00 N ATOM 603 CA ILE A 49 -5.127 0.029 -8.863 1.00 0.00 C ATOM 604 C ILE A 49 -4.671 -0.301 -7.443 1.00 0.00 C ATOM 605 O ILE A 49 -5.429 -0.989 -6.764 1.00 0.00 O ATOM 606 CB ILE A 49 -4.459 -0.831 -9.944 1.00 0.00 C ATOM 607 CG1 ILE A 49 -2.959 -0.543 -10.124 1.00 0.00 C ATOM 608 CG2 ILE A 49 -5.262 -0.722 -11.249 1.00 0.00 C ATOM 609 CD1 ILE A 49 -2.175 -1.550 -10.962 1.00 0.00 C ATOM 0 H ILE A 49 -4.291 1.705 -9.819 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.184 -0.235 -8.890 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.481 -1.869 -9.612 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.851 0.441 -10.581 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.500 -0.488 -9.137 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.790 -1.332 -12.019 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.280 -1.074 -11.081 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.287 0.318 -11.575 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.131 -1.242 -11.018 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.238 -2.535 -10.500 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.595 -1.593 -11.967 1.00 0.00 H new ATOM 621 N LEU A 50 -3.513 0.177 -6.945 1.00 0.00 N ATOM 622 CA LEU A 50 -3.133 -0.185 -5.569 1.00 0.00 C ATOM 623 C LEU A 50 -4.018 0.508 -4.524 1.00 0.00 C ATOM 624 O LEU A 50 -4.355 -0.114 -3.520 1.00 0.00 O ATOM 625 CB LEU A 50 -1.660 0.143 -5.247 1.00 0.00 C ATOM 626 CG LEU A 50 -0.668 -1.031 -5.321 1.00 0.00 C ATOM 627 CD1 LEU A 50 -1.160 -2.347 -4.709 1.00 0.00 C ATOM 628 CD2 LEU A 50 -0.186 -1.226 -6.764 1.00 0.00 C ATOM 0 H LEU A 50 -2.859 0.781 -7.443 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.275 -1.264 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.324 0.919 -5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.615 0.566 -4.243 1.00 0.00 H new ATOM 0 HG LEU A 50 0.170 -0.744 -4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.387 -3.108 -4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.381 -2.197 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.063 -2.673 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.515 -2.059 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.040 -1.439 -7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.309 -0.318 -7.108 1.00 0.00 H new ATOM 640 N SER A 51 -4.390 1.775 -4.725 1.00 0.00 N ATOM 641 CA SER A 51 -5.344 2.451 -3.826 1.00 0.00 C ATOM 642 C SER A 51 -6.672 1.684 -3.712 1.00 0.00 C ATOM 643 O SER A 51 -7.124 1.418 -2.592 1.00 0.00 O ATOM 644 CB SER A 51 -5.587 3.908 -4.249 1.00 0.00 C ATOM 645 OG SER A 51 -6.077 4.051 -5.568 1.00 0.00 O ATOM 0 H SER A 51 -4.052 2.354 -5.494 1.00 0.00 H new ATOM 0 HA SER A 51 -4.887 2.462 -2.837 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.297 4.362 -3.558 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.653 4.463 -4.157 1.00 0.00 H new ATOM 0 HG SER A 51 -5.372 3.815 -6.206 1.00 0.00 H new ATOM 651 N LEU A 52 -7.252 1.242 -4.838 1.00 0.00 N ATOM 652 CA LEU A 52 -8.444 0.394 -4.836 1.00 0.00 C ATOM 653 C LEU A 52 -8.166 -0.971 -4.193 1.00 0.00 C ATOM 654 O LEU A 52 -9.008 -1.471 -3.449 1.00 0.00 O ATOM 655 CB LEU A 52 -8.964 0.262 -6.277 1.00 0.00 C ATOM 656 CG LEU A 52 -10.466 -0.079 -6.377 1.00 0.00 C ATOM 657 CD1 LEU A 52 -11.066 0.562 -7.639 1.00 0.00 C ATOM 658 CD2 LEU A 52 -10.714 -1.590 -6.410 1.00 0.00 C ATOM 0 H LEU A 52 -6.906 1.464 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.218 0.859 -4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.779 1.197 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.392 -0.512 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.949 0.321 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.126 0.317 -7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.946 1.644 -7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.552 0.180 -8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.785 -1.782 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.210 -2.023 -7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.324 -2.043 -5.498 1.00 0.00 H new ATOM 670 N LEU A 53 -6.989 -1.564 -4.433 1.00 0.00 N ATOM 671 CA LEU A 53 -6.600 -2.850 -3.851 1.00 0.00 C ATOM 672 C LEU A 53 -6.594 -2.787 -2.323 1.00 0.00 C ATOM 673 O LEU A 53 -7.229 -3.607 -1.661 1.00 0.00 O ATOM 674 CB LEU A 53 -5.218 -3.270 -4.386 1.00 0.00 C ATOM 675 CG LEU A 53 -4.922 -4.760 -4.167 1.00 0.00 C ATOM 676 CD1 LEU A 53 -5.905 -5.628 -4.972 1.00 0.00 C ATOM 677 CD2 LEU A 53 -3.459 -5.064 -4.480 1.00 0.00 C ATOM 0 H LEU A 53 -6.277 -1.160 -5.041 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.336 -3.599 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.163 -3.046 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.448 -2.675 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.075 -5.010 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.681 -6.682 -4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.925 -5.418 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.807 -5.400 -6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.265 -6.125 -4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.249 -4.810 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.817 -4.475 -3.825 1.00 0.00 H new ATOM 689 N ILE A 54 -5.905 -1.796 -1.759 1.00 0.00 N ATOM 690 CA ILE A 54 -5.906 -1.572 -0.306 1.00 0.00 C ATOM 691 C ILE A 54 -7.303 -1.216 0.235 1.00 0.00 C ATOM 692 O ILE A 54 -7.665 -1.713 1.302 1.00 0.00 O ATOM 693 CB ILE A 54 -4.837 -0.517 0.062 1.00 0.00 C ATOM 694 CG1 ILE A 54 -3.405 -0.960 -0.321 1.00 0.00 C ATOM 695 CG2 ILE A 54 -4.892 -0.191 1.563 1.00 0.00 C ATOM 696 CD1 ILE A 54 -2.889 -2.193 0.432 1.00 0.00 C ATOM 0 H ILE A 54 -5.336 -1.132 -2.284 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.641 -2.508 0.185 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.071 0.376 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.378 -1.168 -1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.723 -0.130 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.132 0.553 1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.877 0.203 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.706 -1.097 2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.879 -2.428 0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.878 -1.987 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.543 -3.041 0.232 1.00 0.00 H new ATOM 708 N SER A 55 -8.111 -0.413 -0.464 1.00 0.00 N ATOM 709 CA SER A 55 -9.453 -0.068 0.035 1.00 0.00 C ATOM 710 C SER A 55 -10.450 -1.251 0.014 1.00 0.00 C ATOM 711 O SER A 55 -11.288 -1.345 0.917 1.00 0.00 O ATOM 712 CB SER A 55 -10.027 1.166 -0.690 1.00 0.00 C ATOM 713 OG SER A 55 -10.451 0.916 -2.025 1.00 0.00 O ATOM 0 H SER A 55 -7.869 0.006 -1.362 1.00 0.00 H new ATOM 0 HA SER A 55 -9.318 0.186 1.086 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.873 1.548 -0.118 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.270 1.950 -0.702 1.00 0.00 H new ATOM 0 HG SER A 55 -10.008 0.110 -2.364 1.00 0.00 H new ATOM 719 N LYS A 56 -10.372 -2.174 -0.964 1.00 0.00 N ATOM 720 CA LYS A 56 -11.248 -3.359 -1.024 1.00 0.00 C ATOM 721 C LYS A 56 -10.776 -4.522 -0.124 1.00 0.00 C ATOM 722 O LYS A 56 -11.621 -5.144 0.523 1.00 0.00 O ATOM 723 CB LYS A 56 -11.505 -3.793 -2.490 1.00 0.00 C ATOM 724 CG LYS A 56 -10.375 -4.562 -3.202 1.00 0.00 C ATOM 725 CD LYS A 56 -10.773 -4.974 -4.631 1.00 0.00 C ATOM 726 CE LYS A 56 -9.567 -5.537 -5.406 1.00 0.00 C ATOM 727 NZ LYS A 56 -9.959 -6.074 -6.738 1.00 0.00 N ATOM 0 H LYS A 56 -9.703 -2.119 -1.732 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.207 -3.059 -0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.400 -4.415 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.726 -2.899 -3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.480 -3.940 -3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.122 -5.451 -2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.563 -5.723 -4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.179 -4.112 -5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.822 -4.752 -5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.097 -6.328 -4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.279 -6.804 -7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.910 -6.490 -6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.962 -5.303 -7.436 1.00 0.00 H new ATOM 741 N LYS A 57 -9.456 -4.780 -0.105 1.00 0.00 N ATOM 742 CA LYS A 57 -8.641 -5.844 0.542 1.00 0.00 C ATOM 743 C LYS A 57 -7.680 -6.507 -0.463 1.00 0.00 C ATOM 744 O LYS A 57 -7.930 -6.513 -1.669 1.00 0.00 O ATOM 745 CB LYS A 57 -9.427 -6.897 1.353 1.00 0.00 C ATOM 746 CG LYS A 57 -10.177 -7.944 0.502 1.00 0.00 C ATOM 747 CD LYS A 57 -11.042 -8.850 1.391 1.00 0.00 C ATOM 748 CE LYS A 57 -11.787 -9.933 0.591 1.00 0.00 C ATOM 749 NZ LYS A 57 -12.914 -9.385 -0.215 1.00 0.00 N ATOM 0 H LYS A 57 -8.837 -4.154 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.061 -5.311 1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.734 -7.417 2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.148 -6.382 1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.806 -7.440 -0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.460 -8.549 -0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.410 -9.328 2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.767 -8.239 1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.084 -10.436 -0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.171 -10.686 1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.379 -10.158 -0.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.602 -8.928 0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.548 -8.686 -0.893 1.00 0.00 H new ATOM 763 N GLY A 58 -6.599 -7.099 0.063 1.00 0.00 N ATOM 764 CA GLY A 58 -5.428 -7.534 -0.705 1.00 0.00 C ATOM 765 C GLY A 58 -5.753 -8.413 -1.913 1.00 0.00 C ATOM 766 O GLY A 58 -5.538 -7.969 -3.036 1.00 0.00 O ATOM 0 H GLY A 58 -6.514 -7.293 1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.886 -6.653 -1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.758 -8.082 -0.043 1.00 0.00 H new ATOM 770 N TYR A 59 -6.280 -9.627 -1.697 1.00 0.00 N ATOM 771 CA TYR A 59 -6.791 -10.530 -2.734 1.00 0.00 C ATOM 772 C TYR A 59 -5.682 -10.920 -3.741 1.00 0.00 C ATOM 773 O TYR A 59 -4.505 -10.623 -3.535 1.00 0.00 O ATOM 774 CB TYR A 59 -8.056 -9.876 -3.335 1.00 0.00 C ATOM 775 CG TYR A 59 -8.862 -10.720 -4.304 1.00 0.00 C ATOM 776 CD1 TYR A 59 -9.506 -11.890 -3.857 1.00 0.00 C ATOM 777 CD2 TYR A 59 -8.933 -10.358 -5.664 1.00 0.00 C ATOM 778 CE1 TYR A 59 -10.216 -12.698 -4.766 1.00 0.00 C ATOM 779 CE2 TYR A 59 -9.639 -11.163 -6.578 1.00 0.00 C ATOM 780 CZ TYR A 59 -10.285 -12.338 -6.130 1.00 0.00 C ATOM 781 OH TYR A 59 -10.969 -13.127 -7.007 1.00 0.00 O ATOM 0 H TYR A 59 -6.364 -10.020 -0.759 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.093 -11.495 -2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.710 -9.582 -2.514 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.756 -8.962 -3.847 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.455 -12.168 -2.815 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.443 -9.459 -6.007 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.709 -13.594 -4.420 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.687 -10.883 -7.620 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.920 -12.737 -7.905 1.00 0.00 H new ATOM 791 N VAL A 60 -6.030 -11.614 -4.828 1.00 0.00 N ATOM 792 CA VAL A 60 -5.120 -11.836 -5.960 1.00 0.00 C ATOM 793 C VAL A 60 -5.403 -10.771 -7.028 1.00 0.00 C ATOM 794 O VAL A 60 -6.442 -10.771 -7.684 1.00 0.00 O ATOM 795 CB VAL A 60 -5.208 -13.274 -6.498 1.00 0.00 C ATOM 796 CG1 VAL A 60 -4.221 -13.489 -7.656 1.00 0.00 C ATOM 797 CG2 VAL A 60 -4.879 -14.297 -5.396 1.00 0.00 C ATOM 0 H VAL A 60 -6.949 -12.038 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.087 -11.728 -5.630 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.230 -13.420 -6.847 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.303 -14.514 -8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.454 -12.798 -8.466 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.205 -13.308 -7.306 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.949 -15.306 -5.803 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.868 -14.123 -5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.587 -14.188 -4.575 1.00 0.00 H new ATOM 807 N PHE A 61 -4.457 -9.845 -7.155 1.00 0.00 N ATOM 808 CA PHE A 61 -4.438 -8.689 -8.048 1.00 0.00 C ATOM 809 C PHE A 61 -4.154 -9.205 -9.476 1.00 0.00 C ATOM 810 O PHE A 61 -3.067 -9.708 -9.754 1.00 0.00 O ATOM 811 CB PHE A 61 -3.344 -7.770 -7.457 1.00 0.00 C ATOM 812 CG PHE A 61 -3.315 -6.276 -7.721 1.00 0.00 C ATOM 813 CD1 PHE A 61 -4.474 -5.493 -7.888 1.00 0.00 C ATOM 814 CD2 PHE A 61 -2.077 -5.623 -7.582 1.00 0.00 C ATOM 815 CE1 PHE A 61 -4.377 -4.093 -7.970 1.00 0.00 C ATOM 816 CE2 PHE A 61 -1.963 -4.238 -7.744 1.00 0.00 C ATOM 817 CZ PHE A 61 -3.120 -3.470 -7.923 1.00 0.00 C ATOM 0 H PHE A 61 -3.611 -9.887 -6.587 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.369 -8.126 -8.121 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.379 -7.897 -6.375 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.386 -8.167 -7.793 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.441 -5.970 -7.953 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.197 -6.202 -7.345 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.271 -3.496 -8.069 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.992 -3.766 -7.731 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.045 -2.397 -8.025 1.00 0.00 H new ATOM 827 N SER A 62 -5.169 -9.191 -10.345 1.00 0.00 N ATOM 828 CA SER A 62 -5.243 -10.017 -11.574 1.00 0.00 C ATOM 829 C SER A 62 -5.362 -9.199 -12.862 1.00 0.00 C ATOM 830 O SER A 62 -6.088 -8.210 -12.873 1.00 0.00 O ATOM 831 CB SER A 62 -6.533 -10.841 -11.541 1.00 0.00 C ATOM 832 OG SER A 62 -6.555 -11.786 -10.478 1.00 0.00 O ATOM 0 H SER A 62 -5.986 -8.594 -10.219 1.00 0.00 H new ATOM 0 HA SER A 62 -4.323 -10.602 -11.583 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.386 -10.169 -11.442 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.649 -11.365 -12.490 1.00 0.00 H new ATOM 0 HG SER A 62 -6.527 -11.314 -9.620 1.00 0.00 H new ATOM 838 N ARG A 63 -4.775 -9.653 -13.981 1.00 0.00 N ATOM 839 CA ARG A 63 -4.700 -8.896 -15.246 1.00 0.00 C ATOM 840 C ARG A 63 -6.022 -8.217 -15.677 1.00 0.00 C ATOM 841 O ARG A 63 -6.053 -6.999 -15.834 1.00 0.00 O ATOM 842 CB ARG A 63 -4.133 -9.799 -16.367 1.00 0.00 C ATOM 843 CG ARG A 63 -3.198 -9.125 -17.394 1.00 0.00 C ATOM 844 CD ARG A 63 -3.506 -7.670 -17.791 1.00 0.00 C ATOM 845 NE ARG A 63 -2.985 -6.720 -16.789 1.00 0.00 N ATOM 846 CZ ARG A 63 -3.136 -5.405 -16.776 1.00 0.00 C ATOM 847 NH1 ARG A 63 -3.928 -4.769 -17.600 1.00 0.00 N ATOM 848 NH2 ARG A 63 -2.450 -4.690 -15.918 1.00 0.00 N ATOM 0 H ARG A 63 -4.332 -10.570 -14.036 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.019 -8.065 -15.061 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.590 -10.620 -15.900 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.972 -10.238 -16.907 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.184 -9.157 -16.997 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.204 -9.729 -18.301 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.064 -7.455 -18.764 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.583 -7.539 -17.894 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.448 -7.122 -16.020 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.465 -5.289 -18.294 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.009 -3.754 -17.548 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.809 -5.148 -15.270 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.557 -3.676 -15.898 1.00 0.00 H new ATOM 862 N GLU A 64 -7.112 -8.972 -15.835 1.00 0.00 N ATOM 863 CA GLU A 64 -8.433 -8.440 -16.189 1.00 0.00 C ATOM 864 C GLU A 64 -9.027 -7.522 -15.102 1.00 0.00 C ATOM 865 O GLU A 64 -9.598 -6.480 -15.415 1.00 0.00 O ATOM 866 CB GLU A 64 -9.374 -9.619 -16.460 1.00 0.00 C ATOM 867 CG GLU A 64 -9.084 -10.300 -17.804 1.00 0.00 C ATOM 868 CD GLU A 64 -10.055 -11.463 -18.045 1.00 0.00 C ATOM 869 OE1 GLU A 64 -11.140 -11.246 -18.634 1.00 0.00 O ATOM 870 OE2 GLU A 64 -9.739 -12.611 -17.647 1.00 0.00 O ATOM 0 H GLU A 64 -7.103 -9.985 -15.719 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.319 -7.820 -17.078 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.278 -10.350 -15.657 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.406 -9.267 -16.449 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.172 -9.573 -18.612 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.058 -10.668 -17.817 1.00 0.00 H new ATOM 877 N SER A 65 -8.863 -7.850 -13.816 1.00 0.00 N ATOM 878 CA SER A 65 -9.283 -6.964 -12.718 1.00 0.00 C ATOM 879 C SER A 65 -8.540 -5.619 -12.777 1.00 0.00 C ATOM 880 O SER A 65 -9.164 -4.566 -12.667 1.00 0.00 O ATOM 881 CB SER A 65 -9.050 -7.631 -11.353 1.00 0.00 C ATOM 882 OG SER A 65 -9.645 -8.925 -11.280 1.00 0.00 O ATOM 0 H SER A 65 -8.441 -8.725 -13.506 1.00 0.00 H new ATOM 0 HA SER A 65 -10.350 -6.777 -12.838 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.979 -7.714 -11.169 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.461 -6.999 -10.566 1.00 0.00 H new ATOM 0 HG SER A 65 -9.472 -9.315 -10.398 1.00 0.00 H new ATOM 888 N ILE A 66 -7.229 -5.626 -13.049 1.00 0.00 N ATOM 889 CA ILE A 66 -6.471 -4.385 -13.341 1.00 0.00 C ATOM 890 C ILE A 66 -7.006 -3.635 -14.564 1.00 0.00 C ATOM 891 O ILE A 66 -7.187 -2.423 -14.515 1.00 0.00 O ATOM 892 CB ILE A 66 -4.973 -4.664 -13.551 1.00 0.00 C ATOM 893 CG1 ILE A 66 -4.341 -5.407 -12.374 1.00 0.00 C ATOM 894 CG2 ILE A 66 -4.231 -3.342 -13.789 1.00 0.00 C ATOM 895 CD1 ILE A 66 -4.357 -4.652 -11.054 1.00 0.00 C ATOM 0 H ILE A 66 -6.663 -6.474 -13.075 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.606 -3.756 -12.461 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.884 -5.311 -14.424 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.863 -6.355 -12.240 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.308 -5.645 -12.627 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.170 -3.542 -13.938 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.635 -2.852 -14.675 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.360 -2.692 -12.924 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.887 -5.260 -10.281 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.808 -3.717 -11.163 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.387 -4.437 -10.770 1.00 0.00 H new ATOM 907 N ALA A 67 -7.276 -4.340 -15.657 1.00 0.00 N ATOM 908 CA ALA A 67 -7.858 -3.783 -16.876 1.00 0.00 C ATOM 909 C ALA A 67 -9.257 -3.186 -16.629 1.00 0.00 C ATOM 910 O ALA A 67 -9.683 -2.303 -17.372 1.00 0.00 O ATOM 911 CB ALA A 67 -7.892 -4.876 -17.948 1.00 0.00 C ATOM 0 H ALA A 67 -7.092 -5.341 -15.723 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.237 -2.956 -17.220 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.324 -4.474 -18.864 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.878 -5.222 -18.147 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.498 -5.711 -17.597 1.00 0.00 H new ATOM 917 N ILE A 68 -9.946 -3.612 -15.565 1.00 0.00 N ATOM 918 CA ILE A 68 -11.164 -2.951 -15.057 1.00 0.00 C ATOM 919 C ILE A 68 -10.821 -1.754 -14.142 1.00 0.00 C ATOM 920 O ILE A 68 -11.506 -0.730 -14.197 1.00 0.00 O ATOM 921 CB ILE A 68 -12.082 -4.002 -14.375 1.00 0.00 C ATOM 922 CG1 ILE A 68 -12.677 -4.953 -15.443 1.00 0.00 C ATOM 923 CG2 ILE A 68 -13.215 -3.348 -13.558 1.00 0.00 C ATOM 924 CD1 ILE A 68 -13.309 -6.225 -14.864 1.00 0.00 C ATOM 0 H ILE A 68 -9.675 -4.433 -15.023 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.719 -2.525 -15.893 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.467 -4.569 -13.677 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.431 -4.413 -16.015 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.889 -5.236 -16.141 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.829 -4.124 -13.101 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.785 -2.719 -12.778 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.833 -2.738 -14.217 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.702 -6.838 -15.675 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -12.554 -6.789 -14.316 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -14.120 -5.953 -14.188 1.00 0.00 H new ATOM 936 N GLU A 69 -9.775 -1.854 -13.316 1.00 0.00 N ATOM 937 CA GLU A 69 -9.461 -0.911 -12.241 1.00 0.00 C ATOM 938 C GLU A 69 -8.612 0.305 -12.664 1.00 0.00 C ATOM 939 O GLU A 69 -8.874 1.404 -12.169 1.00 0.00 O ATOM 940 CB GLU A 69 -8.777 -1.689 -11.111 1.00 0.00 C ATOM 941 CG GLU A 69 -9.830 -2.418 -10.268 1.00 0.00 C ATOM 942 CD GLU A 69 -9.261 -3.520 -9.357 1.00 0.00 C ATOM 943 OE1 GLU A 69 -8.055 -3.505 -9.020 1.00 0.00 O ATOM 944 OE2 GLU A 69 -10.053 -4.399 -8.936 1.00 0.00 O ATOM 0 H GLU A 69 -9.103 -2.618 -13.380 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.404 -0.473 -11.914 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.071 -2.407 -11.528 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.204 -1.007 -10.483 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.354 -1.688 -9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.570 -2.861 -10.935 1.00 0.00 H new ATOM 951 N SER A 70 -7.634 0.170 -13.569 1.00 0.00 N ATOM 952 CA SER A 70 -6.949 1.339 -14.168 1.00 0.00 C ATOM 953 C SER A 70 -7.391 1.601 -15.618 1.00 0.00 C ATOM 954 O SER A 70 -7.580 2.762 -15.991 1.00 0.00 O ATOM 955 CB SER A 70 -5.420 1.206 -14.126 1.00 0.00 C ATOM 956 OG SER A 70 -4.986 0.030 -14.799 1.00 0.00 O ATOM 0 H SER A 70 -7.295 -0.731 -13.906 1.00 0.00 H new ATOM 0 HA SER A 70 -7.245 2.189 -13.553 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.964 2.082 -14.588 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.083 1.180 -13.090 1.00 0.00 H new ATOM 0 HG SER A 70 -4.009 -0.029 -14.758 1.00 0.00 H new ATOM 962 N GLU A 71 -7.573 0.543 -16.422 1.00 0.00 N ATOM 963 CA GLU A 71 -8.151 0.597 -17.776 1.00 0.00 C ATOM 964 C GLU A 71 -7.311 1.462 -18.750 1.00 0.00 C ATOM 965 O GLU A 71 -7.830 2.193 -19.596 1.00 0.00 O ATOM 966 CB GLU A 71 -9.642 0.989 -17.679 1.00 0.00 C ATOM 967 CG GLU A 71 -10.467 0.615 -18.920 1.00 0.00 C ATOM 968 CD GLU A 71 -11.954 0.936 -18.706 1.00 0.00 C ATOM 969 OE1 GLU A 71 -12.341 2.126 -18.796 1.00 0.00 O ATOM 970 OE2 GLU A 71 -12.759 0.003 -18.467 1.00 0.00 O ATOM 0 H GLU A 71 -7.315 -0.403 -16.141 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.111 -0.394 -18.228 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.079 0.505 -16.805 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.715 2.064 -17.517 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.094 1.160 -19.787 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.347 -0.447 -19.135 1.00 0.00 H new ATOM 977 N SER A 72 -5.979 1.407 -18.626 1.00 0.00 N ATOM 978 CA SER A 72 -5.055 2.227 -19.437 1.00 0.00 C ATOM 979 C SER A 72 -4.858 1.693 -20.879 1.00 0.00 C ATOM 980 O SER A 72 -4.345 2.401 -21.753 1.00 0.00 O ATOM 981 CB SER A 72 -3.710 2.325 -18.695 1.00 0.00 C ATOM 982 OG SER A 72 -2.915 3.403 -19.174 1.00 0.00 O ATOM 0 H SER A 72 -5.506 0.794 -17.962 1.00 0.00 H new ATOM 0 HA SER A 72 -5.499 3.215 -19.556 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.893 2.455 -17.628 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.162 1.390 -18.813 1.00 0.00 H new ATOM 0 HG SER A 72 -3.154 3.598 -20.104 1.00 0.00 H new ATOM 988 N ILE A 73 -5.269 0.445 -21.148 1.00 0.00 N ATOM 989 CA ILE A 73 -5.056 -0.287 -22.415 1.00 0.00 C ATOM 990 C ILE A 73 -6.398 -0.591 -23.110 1.00 0.00 C ATOM 991 O ILE A 73 -7.389 -0.907 -22.448 1.00 0.00 O ATOM 992 CB ILE A 73 -4.263 -1.585 -22.121 1.00 0.00 C ATOM 993 CG1 ILE A 73 -2.910 -1.344 -21.411 1.00 0.00 C ATOM 994 CG2 ILE A 73 -4.027 -2.418 -23.392 1.00 0.00 C ATOM 995 CD1 ILE A 73 -1.890 -0.487 -22.174 1.00 0.00 C ATOM 0 H ILE A 73 -5.781 -0.109 -20.462 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.478 0.334 -23.100 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.900 -2.142 -21.434 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.107 -0.869 -20.450 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.456 -2.312 -21.201 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.468 -3.318 -23.138 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.986 -2.697 -23.827 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.459 -1.829 -24.113 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.982 -0.387 -21.579 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.651 -0.965 -23.124 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.312 0.500 -22.361 1.00 0.00 H new ATOM 1007 N ASN A 74 -6.429 -0.520 -24.449 1.00 0.00 N ATOM 1008 CA ASN A 74 -7.645 -0.728 -25.253 1.00 0.00 C ATOM 1009 C ASN A 74 -8.140 -2.202 -25.291 1.00 0.00 C ATOM 1010 O ASN A 74 -9.303 -2.423 -24.931 1.00 0.00 O ATOM 1011 CB ASN A 74 -7.458 -0.128 -26.662 1.00 0.00 C ATOM 1012 CG ASN A 74 -7.349 1.400 -26.673 1.00 0.00 C ATOM 1013 OD1 ASN A 74 -7.863 2.104 -25.811 1.00 0.00 O ATOM 1014 ND2 ASN A 74 -6.673 1.960 -27.662 1.00 0.00 N ATOM 0 H ASN A 74 -5.603 -0.315 -25.011 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.451 -0.193 -24.751 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.559 -0.550 -27.110 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.298 -0.428 -27.289 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.580 2.975 -27.706 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.244 1.377 -28.381 1.00 0.00 H new ATOM 1021 N PRO A 75 -7.329 -3.210 -25.698 1.00 0.00 N ATOM 1022 CA PRO A 75 -7.712 -4.624 -25.614 1.00 0.00 C ATOM 1023 C PRO A 75 -7.795 -5.112 -24.158 1.00 0.00 C ATOM 1024 O PRO A 75 -7.187 -4.528 -23.262 1.00 0.00 O ATOM 1025 CB PRO A 75 -6.659 -5.398 -26.416 1.00 0.00 C ATOM 1026 CG PRO A 75 -5.427 -4.503 -26.330 1.00 0.00 C ATOM 1027 CD PRO A 75 -6.036 -3.103 -26.367 1.00 0.00 C ATOM 0 HA PRO A 75 -8.710 -4.782 -26.023 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -6.472 -6.383 -25.989 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.973 -5.553 -27.448 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.862 -4.676 -25.414 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.744 -4.671 -27.163 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.393 -2.384 -25.860 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -6.155 -2.756 -27.393 1.00 0.00 H new ATOM 1035 N GLU A 76 -8.553 -6.190 -23.927 1.00 0.00 N ATOM 1036 CA GLU A 76 -8.906 -6.662 -22.579 1.00 0.00 C ATOM 1037 C GLU A 76 -7.731 -7.354 -21.859 1.00 0.00 C ATOM 1038 O GLU A 76 -7.449 -7.062 -20.697 1.00 0.00 O ATOM 1039 CB GLU A 76 -10.111 -7.616 -22.690 1.00 0.00 C ATOM 1040 CG GLU A 76 -10.819 -7.887 -21.356 1.00 0.00 C ATOM 1041 CD GLU A 76 -11.687 -6.694 -20.922 1.00 0.00 C ATOM 1042 OE1 GLU A 76 -12.820 -6.550 -21.443 1.00 0.00 O ATOM 1043 OE2 GLU A 76 -11.258 -5.901 -20.051 1.00 0.00 O ATOM 0 H GLU A 76 -8.943 -6.765 -24.674 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.162 -5.793 -21.973 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.831 -7.195 -23.392 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.773 -8.564 -23.109 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.442 -8.776 -21.449 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.077 -8.097 -20.586 1.00 0.00 H new ATOM 1050 N SER A 77 -7.023 -8.267 -22.532 1.00 0.00 N ATOM 1051 CA SER A 77 -5.999 -9.122 -21.898 1.00 0.00 C ATOM 1052 C SER A 77 -4.704 -8.369 -21.545 1.00 0.00 C ATOM 1053 O SER A 77 -4.020 -8.768 -20.610 1.00 0.00 O ATOM 1054 CB SER A 77 -5.671 -10.311 -22.816 1.00 0.00 C ATOM 1055 OG SER A 77 -6.846 -11.039 -23.168 1.00 0.00 O ATOM 0 H SER A 77 -7.139 -8.438 -23.531 1.00 0.00 H new ATOM 0 HA SER A 77 -6.426 -9.470 -20.957 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.181 -9.950 -23.720 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.966 -10.975 -22.315 1.00 0.00 H new ATOM 0 HG SER A 77 -6.604 -11.787 -23.753 1.00 0.00 H new ATOM 1061 N SER A 78 -4.396 -7.269 -22.251 1.00 0.00 N ATOM 1062 CA SER A 78 -3.593 -6.108 -21.795 1.00 0.00 C ATOM 1063 C SER A 78 -2.240 -6.366 -21.085 1.00 0.00 C ATOM 1064 O SER A 78 -1.790 -5.548 -20.278 1.00 0.00 O ATOM 1065 CB SER A 78 -4.504 -5.153 -20.997 1.00 0.00 C ATOM 1066 OG SER A 78 -5.154 -5.787 -19.906 1.00 0.00 O ATOM 0 H SER A 78 -4.717 -7.153 -23.212 1.00 0.00 H new ATOM 0 HA SER A 78 -3.235 -5.652 -22.718 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.909 -4.320 -20.623 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.255 -4.733 -21.666 1.00 0.00 H new ATOM 0 HG SER A 78 -5.977 -6.217 -20.220 1.00 0.00 H new ATOM 1072 N ASN A 79 -1.549 -7.477 -21.370 1.00 0.00 N ATOM 1073 CA ASN A 79 -0.402 -7.963 -20.579 1.00 0.00 C ATOM 1074 C ASN A 79 0.772 -6.968 -20.440 1.00 0.00 C ATOM 1075 O ASN A 79 1.475 -6.989 -19.431 1.00 0.00 O ATOM 1076 CB ASN A 79 0.097 -9.289 -21.179 1.00 0.00 C ATOM 1077 CG ASN A 79 -0.915 -10.422 -21.022 1.00 0.00 C ATOM 1078 OD1 ASN A 79 -1.147 -10.922 -19.928 1.00 0.00 O ATOM 1079 ND2 ASN A 79 -1.535 -10.866 -22.104 1.00 0.00 N ATOM 0 H ASN A 79 -1.771 -8.074 -22.166 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.775 -8.098 -19.564 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.315 -9.145 -22.237 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.032 -9.573 -20.697 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.209 -11.628 -22.029 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.338 -10.446 -23.013 1.00 0.00 H new ATOM 1086 N LYS A 80 0.960 -6.033 -21.381 1.00 0.00 N ATOM 1087 CA LYS A 80 1.995 -4.980 -21.292 1.00 0.00 C ATOM 1088 C LYS A 80 1.760 -4.015 -20.121 1.00 0.00 C ATOM 1089 O LYS A 80 2.712 -3.488 -19.547 1.00 0.00 O ATOM 1090 CB LYS A 80 2.071 -4.231 -22.635 1.00 0.00 C ATOM 1091 CG LYS A 80 2.567 -5.134 -23.776 1.00 0.00 C ATOM 1092 CD LYS A 80 2.689 -4.345 -25.087 1.00 0.00 C ATOM 1093 CE LYS A 80 3.189 -5.266 -26.211 1.00 0.00 C ATOM 1094 NZ LYS A 80 3.329 -4.539 -27.501 1.00 0.00 N ATOM 0 H LYS A 80 0.399 -5.981 -22.231 1.00 0.00 H new ATOM 0 HA LYS A 80 2.952 -5.460 -21.090 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.086 -3.839 -22.887 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.739 -3.375 -22.535 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.535 -5.561 -23.513 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.877 -5.967 -23.911 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.722 -3.921 -25.357 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.378 -3.511 -24.956 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.151 -5.694 -25.929 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.495 -6.097 -26.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.668 -5.194 -28.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.406 -4.152 -27.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.011 -3.762 -27.389 1.00 0.00 H new ATOM 1108 N SER A 81 0.509 -3.855 -19.684 1.00 0.00 N ATOM 1109 CA SER A 81 0.203 -3.128 -18.446 1.00 0.00 C ATOM 1110 C SER A 81 0.713 -3.903 -17.217 1.00 0.00 C ATOM 1111 O SER A 81 1.443 -3.325 -16.423 1.00 0.00 O ATOM 1112 CB SER A 81 -1.293 -2.791 -18.408 1.00 0.00 C ATOM 1113 OG SER A 81 -1.721 -2.261 -17.161 1.00 0.00 O ATOM 0 H SER A 81 -0.311 -4.219 -20.169 1.00 0.00 H new ATOM 0 HA SER A 81 0.735 -2.177 -18.421 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.516 -2.071 -19.196 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.866 -3.692 -18.628 1.00 0.00 H new ATOM 0 HG SER A 81 -2.680 -2.065 -17.201 1.00 0.00 H new ATOM 1119 N ILE A 82 0.478 -5.221 -17.074 1.00 0.00 N ATOM 1120 CA ILE A 82 1.062 -5.985 -15.934 1.00 0.00 C ATOM 1121 C ILE A 82 2.592 -5.955 -15.945 1.00 0.00 C ATOM 1122 O ILE A 82 3.216 -5.879 -14.891 1.00 0.00 O ATOM 1123 CB ILE A 82 0.492 -7.431 -15.840 1.00 0.00 C ATOM 1124 CG1 ILE A 82 0.056 -7.700 -14.376 1.00 0.00 C ATOM 1125 CG2 ILE A 82 1.437 -8.549 -16.328 1.00 0.00 C ATOM 1126 CD1 ILE A 82 -0.713 -9.009 -14.144 1.00 0.00 C ATOM 0 H ILE A 82 -0.095 -5.775 -17.710 1.00 0.00 H new ATOM 0 HA ILE A 82 0.751 -5.476 -15.022 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.353 -7.468 -16.527 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.945 -7.705 -13.746 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.566 -6.870 -14.042 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.944 -9.515 -16.220 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.685 -8.384 -17.376 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.350 -8.539 -15.733 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.969 -9.098 -13.088 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.626 -9.005 -14.740 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.090 -9.854 -14.439 1.00 0.00 H new ATOM 1138 N ASP A 83 3.176 -5.942 -17.139 1.00 0.00 N ATOM 1139 CA ASP A 83 4.625 -5.873 -17.345 1.00 0.00 C ATOM 1140 C ASP A 83 5.191 -4.512 -16.906 1.00 0.00 C ATOM 1141 O ASP A 83 6.154 -4.485 -16.139 1.00 0.00 O ATOM 1142 CB ASP A 83 4.959 -6.183 -18.808 1.00 0.00 C ATOM 1143 CG ASP A 83 6.477 -6.229 -19.043 1.00 0.00 C ATOM 1144 OD1 ASP A 83 7.117 -7.232 -18.644 1.00 0.00 O ATOM 1145 OD2 ASP A 83 7.022 -5.272 -19.643 1.00 0.00 O ATOM 0 H ASP A 83 2.647 -5.980 -18.011 1.00 0.00 H new ATOM 0 HA ASP A 83 5.103 -6.626 -16.718 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.518 -7.139 -19.088 1.00 0.00 H new ATOM 0 HB3 ASP A 83 4.513 -5.425 -19.452 1.00 0.00 H new ATOM 1150 N VAL A 84 4.571 -3.396 -17.326 1.00 0.00 N ATOM 1151 CA VAL A 84 4.984 -2.050 -16.861 1.00 0.00 C ATOM 1152 C VAL A 84 4.775 -1.895 -15.364 1.00 0.00 C ATOM 1153 O VAL A 84 5.625 -1.339 -14.683 1.00 0.00 O ATOM 1154 CB VAL A 84 4.294 -0.879 -17.605 1.00 0.00 C ATOM 1155 CG1 VAL A 84 3.019 -0.264 -17.004 1.00 0.00 C ATOM 1156 CG2 VAL A 84 5.312 0.250 -17.844 1.00 0.00 C ATOM 0 H VAL A 84 3.789 -3.393 -17.980 1.00 0.00 H new ATOM 0 HA VAL A 84 6.046 -1.988 -17.097 1.00 0.00 H new ATOM 0 HB VAL A 84 3.940 -1.360 -18.517 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.665 0.542 -17.647 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.248 -1.030 -16.925 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.239 0.133 -16.013 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.826 1.073 -18.367 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.694 0.604 -16.887 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.138 -0.126 -18.448 1.00 0.00 H new ATOM 1166 N ILE A 85 3.654 -2.401 -14.854 1.00 0.00 N ATOM 1167 CA ILE A 85 3.309 -2.311 -13.430 1.00 0.00 C ATOM 1168 C ILE A 85 4.314 -3.104 -12.608 1.00 0.00 C ATOM 1169 O ILE A 85 5.080 -2.513 -11.858 1.00 0.00 O ATOM 1170 CB ILE A 85 1.839 -2.745 -13.193 1.00 0.00 C ATOM 1171 CG1 ILE A 85 0.894 -1.726 -13.864 1.00 0.00 C ATOM 1172 CG2 ILE A 85 1.502 -2.844 -11.690 1.00 0.00 C ATOM 1173 CD1 ILE A 85 -0.546 -2.207 -14.038 1.00 0.00 C ATOM 0 H ILE A 85 2.955 -2.887 -15.415 1.00 0.00 H new ATOM 0 HA ILE A 85 3.372 -1.275 -13.097 1.00 0.00 H new ATOM 0 HB ILE A 85 1.707 -3.735 -13.629 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.888 -0.812 -13.271 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.297 -1.468 -14.843 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.463 -3.151 -11.570 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.154 -3.579 -11.218 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.650 -1.872 -11.219 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.135 -1.425 -14.517 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.558 -3.103 -14.659 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.973 -2.436 -13.062 1.00 0.00 H new ATOM 1185 N ILE A 86 4.359 -4.426 -12.756 1.00 0.00 N ATOM 1186 CA ILE A 86 5.166 -5.283 -11.876 1.00 0.00 C ATOM 1187 C ILE A 86 6.659 -5.045 -12.114 1.00 0.00 C ATOM 1188 O ILE A 86 7.423 -4.946 -11.151 1.00 0.00 O ATOM 1189 CB ILE A 86 4.750 -6.760 -12.052 1.00 0.00 C ATOM 1190 CG1 ILE A 86 3.252 -6.980 -11.719 1.00 0.00 C ATOM 1191 CG2 ILE A 86 5.642 -7.695 -11.215 1.00 0.00 C ATOM 1192 CD1 ILE A 86 2.841 -6.768 -10.254 1.00 0.00 C ATOM 0 H ILE A 86 3.846 -4.933 -13.478 1.00 0.00 H new ATOM 0 HA ILE A 86 4.978 -5.022 -10.835 1.00 0.00 H new ATOM 0 HB ILE A 86 4.892 -7.010 -13.104 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.661 -6.307 -12.341 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.984 -7.997 -12.006 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.324 -8.727 -11.360 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.680 -7.587 -11.531 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.555 -7.433 -10.160 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.772 -6.951 -10.146 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.393 -7.459 -9.617 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.066 -5.743 -9.958 1.00 0.00 H new ATOM 1204 N GLY A 87 7.064 -4.849 -13.376 1.00 0.00 N ATOM 1205 CA GLY A 87 8.443 -4.533 -13.740 1.00 0.00 C ATOM 1206 C GLY A 87 8.888 -3.196 -13.156 1.00 0.00 C ATOM 1207 O GLY A 87 9.930 -3.148 -12.504 1.00 0.00 O ATOM 0 H GLY A 87 6.435 -4.907 -14.177 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.104 -5.324 -13.384 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.536 -4.505 -14.826 1.00 0.00 H new ATOM 1211 N ARG A 88 8.103 -2.121 -13.318 1.00 0.00 N ATOM 1212 CA ARG A 88 8.522 -0.787 -12.862 1.00 0.00 C ATOM 1213 C ARG A 88 8.251 -0.547 -11.368 1.00 0.00 C ATOM 1214 O ARG A 88 8.970 0.249 -10.772 1.00 0.00 O ATOM 1215 CB ARG A 88 7.964 0.299 -13.792 1.00 0.00 C ATOM 1216 CG ARG A 88 8.717 1.637 -13.670 1.00 0.00 C ATOM 1217 CD ARG A 88 8.316 2.644 -14.762 1.00 0.00 C ATOM 1218 NE ARG A 88 8.697 2.190 -16.116 1.00 0.00 N ATOM 1219 CZ ARG A 88 9.897 2.263 -16.686 1.00 0.00 C ATOM 1220 NH1 ARG A 88 10.944 2.768 -16.066 1.00 0.00 N ATOM 1221 NH2 ARG A 88 10.062 1.819 -17.913 1.00 0.00 N ATOM 0 H ARG A 88 7.183 -2.148 -13.757 1.00 0.00 H new ATOM 0 HA ARG A 88 9.608 -0.730 -12.936 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.018 -0.050 -14.823 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.910 0.459 -13.564 1.00 0.00 H new ATOM 0 HG2 ARG A 88 8.521 2.072 -12.690 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.790 1.452 -13.728 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.239 2.805 -14.726 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.789 3.605 -14.558 1.00 0.00 H new ATOM 0 HE ARG A 88 7.955 1.773 -16.678 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.851 3.121 -15.114 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.847 2.806 -16.538 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.272 1.422 -18.422 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.979 1.872 -18.356 1.00 0.00 H new ATOM 1235 N LEU A 89 7.347 -1.292 -10.710 1.00 0.00 N ATOM 1236 CA LEU A 89 7.341 -1.423 -9.241 1.00 0.00 C ATOM 1237 C LEU A 89 8.661 -2.037 -8.767 1.00 0.00 C ATOM 1238 O LEU A 89 9.331 -1.432 -7.932 1.00 0.00 O ATOM 1239 CB LEU A 89 6.153 -2.272 -8.731 1.00 0.00 C ATOM 1240 CG LEU A 89 4.940 -1.442 -8.269 1.00 0.00 C ATOM 1241 CD1 LEU A 89 4.087 -0.909 -9.425 1.00 0.00 C ATOM 1242 CD2 LEU A 89 4.039 -2.294 -7.362 1.00 0.00 C ATOM 0 H LEU A 89 6.606 -1.816 -11.175 1.00 0.00 H new ATOM 0 HA LEU A 89 7.227 -0.422 -8.826 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.836 -2.948 -9.525 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.493 -2.892 -7.901 1.00 0.00 H new ATOM 0 HG LEU A 89 5.349 -0.584 -7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.251 -0.334 -9.026 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.697 -0.268 -10.062 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.705 -1.745 -10.011 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.183 -1.701 -7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.689 -3.166 -7.913 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.605 -2.620 -6.489 1.00 0.00 H new ATOM 1254 N ARG A 90 9.069 -3.185 -9.334 1.00 0.00 N ATOM 1255 CA ARG A 90 10.354 -3.829 -9.015 1.00 0.00 C ATOM 1256 C ARG A 90 11.528 -2.868 -9.222 1.00 0.00 C ATOM 1257 O ARG A 90 12.391 -2.747 -8.360 1.00 0.00 O ATOM 1258 CB ARG A 90 10.534 -5.106 -9.851 1.00 0.00 C ATOM 1259 CG ARG A 90 11.570 -6.054 -9.227 1.00 0.00 C ATOM 1260 CD ARG A 90 11.675 -7.355 -10.028 1.00 0.00 C ATOM 1261 NE ARG A 90 12.656 -8.275 -9.422 1.00 0.00 N ATOM 1262 CZ ARG A 90 12.948 -9.502 -9.839 1.00 0.00 C ATOM 1263 NH1 ARG A 90 12.367 -10.042 -10.892 1.00 0.00 N ATOM 1264 NH2 ARG A 90 13.844 -10.216 -9.192 1.00 0.00 N ATOM 0 H ARG A 90 8.517 -3.692 -10.026 1.00 0.00 H new ATOM 0 HA ARG A 90 10.341 -4.105 -7.960 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.577 -5.621 -9.940 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.847 -4.839 -10.860 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.543 -5.564 -9.193 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.290 -6.278 -8.198 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.699 -7.838 -10.073 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.967 -7.131 -11.054 1.00 0.00 H new ATOM 0 HE ARG A 90 13.160 -7.936 -8.602 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.668 -9.515 -11.415 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.616 -10.987 -11.183 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.312 -9.827 -8.373 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.071 -11.159 -9.509 1.00 0.00 H new ATOM 1278 N SER A 91 11.517 -2.115 -10.319 1.00 0.00 N ATOM 1279 CA SER A 91 12.532 -1.079 -10.586 1.00 0.00 C ATOM 1280 C SER A 91 12.534 0.019 -9.517 1.00 0.00 C ATOM 1281 O SER A 91 13.576 0.316 -8.931 1.00 0.00 O ATOM 1282 CB SER A 91 12.355 -0.448 -11.977 1.00 0.00 C ATOM 1283 OG SER A 91 12.414 -1.413 -13.021 1.00 0.00 O ATOM 0 H SER A 91 10.811 -2.199 -11.050 1.00 0.00 H new ATOM 0 HA SER A 91 13.495 -1.589 -10.555 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.397 0.071 -12.019 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.130 0.302 -12.134 1.00 0.00 H new ATOM 0 HG SER A 91 11.662 -2.036 -12.934 1.00 0.00 H new ATOM 1289 N LYS A 92 11.366 0.579 -9.185 1.00 0.00 N ATOM 1290 CA LYS A 92 11.261 1.569 -8.113 1.00 0.00 C ATOM 1291 C LYS A 92 11.695 1.042 -6.735 1.00 0.00 C ATOM 1292 O LYS A 92 12.330 1.790 -6.001 1.00 0.00 O ATOM 1293 CB LYS A 92 9.835 2.141 -8.102 1.00 0.00 C ATOM 1294 CG LYS A 92 9.591 3.196 -9.201 1.00 0.00 C ATOM 1295 CD LYS A 92 10.494 4.439 -9.038 1.00 0.00 C ATOM 1296 CE LYS A 92 9.839 5.737 -9.539 1.00 0.00 C ATOM 1297 NZ LYS A 92 9.670 5.780 -11.017 1.00 0.00 N ATOM 0 H LYS A 92 10.481 0.362 -9.644 1.00 0.00 H new ATOM 0 HA LYS A 92 11.971 2.369 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.123 1.325 -8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.638 2.589 -7.128 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.770 2.747 -10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.546 3.505 -9.178 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.755 4.554 -7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.425 4.277 -9.581 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.864 5.850 -9.066 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.446 6.586 -9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.224 6.679 -11.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.600 5.702 -11.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.067 4.989 -11.321 1.00 0.00 H new ATOM 1311 N ILE A 93 11.461 -0.229 -6.380 1.00 0.00 N ATOM 1312 CA ILE A 93 11.974 -0.812 -5.113 1.00 0.00 C ATOM 1313 C ILE A 93 13.402 -1.383 -5.194 1.00 0.00 C ATOM 1314 O ILE A 93 13.999 -1.666 -4.159 1.00 0.00 O ATOM 1315 CB ILE A 93 10.956 -1.756 -4.433 1.00 0.00 C ATOM 1316 CG1 ILE A 93 10.604 -3.066 -5.160 1.00 0.00 C ATOM 1317 CG2 ILE A 93 9.655 -0.979 -4.148 1.00 0.00 C ATOM 1318 CD1 ILE A 93 11.712 -4.127 -5.194 1.00 0.00 C ATOM 0 H ILE A 93 10.920 -0.881 -6.947 1.00 0.00 H new ATOM 0 HA ILE A 93 12.084 0.039 -4.441 1.00 0.00 H new ATOM 0 HB ILE A 93 11.470 -2.083 -3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.725 -3.500 -4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.324 -2.827 -6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.934 -1.641 -3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.870 -0.138 -3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.240 -0.608 -5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.357 -5.007 -5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 93 12.588 -3.722 -5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.980 -4.406 -4.175 1.00 0.00 H new ATOM 1330 N GLU A 94 13.991 -1.498 -6.385 1.00 0.00 N ATOM 1331 CA GLU A 94 15.442 -1.645 -6.542 1.00 0.00 C ATOM 1332 C GLU A 94 16.144 -0.300 -6.258 1.00 0.00 C ATOM 1333 O GLU A 94 17.184 -0.263 -5.595 1.00 0.00 O ATOM 1334 CB GLU A 94 15.759 -2.166 -7.956 1.00 0.00 C ATOM 1335 CG GLU A 94 17.214 -2.618 -8.142 1.00 0.00 C ATOM 1336 CD GLU A 94 17.535 -3.886 -7.334 1.00 0.00 C ATOM 1337 OE1 GLU A 94 17.147 -4.998 -7.767 1.00 0.00 O ATOM 1338 OE2 GLU A 94 18.193 -3.790 -6.272 1.00 0.00 O ATOM 0 H GLU A 94 13.479 -1.492 -7.267 1.00 0.00 H new ATOM 0 HA GLU A 94 15.819 -2.372 -5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.098 -3.003 -8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.538 -1.381 -8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.402 -2.805 -9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.884 -1.815 -7.836 1.00 0.00 H new ATOM 1345 N LYS A 95 15.557 0.819 -6.710 1.00 0.00 N ATOM 1346 CA LYS A 95 16.061 2.176 -6.445 1.00 0.00 C ATOM 1347 C LYS A 95 15.829 2.641 -4.986 1.00 0.00 C ATOM 1348 O LYS A 95 16.763 3.093 -4.320 1.00 0.00 O ATOM 1349 CB LYS A 95 15.420 3.122 -7.481 1.00 0.00 C ATOM 1350 CG LYS A 95 16.026 4.535 -7.436 1.00 0.00 C ATOM 1351 CD LYS A 95 15.411 5.481 -8.483 1.00 0.00 C ATOM 1352 CE LYS A 95 15.643 5.067 -9.950 1.00 0.00 C ATOM 1353 NZ LYS A 95 17.075 5.154 -10.355 1.00 0.00 N ATOM 0 H LYS A 95 14.709 0.807 -7.277 1.00 0.00 H new ATOM 0 HA LYS A 95 17.146 2.186 -6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.550 2.705 -8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.347 3.183 -7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 95 15.880 4.957 -6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.102 4.470 -7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.338 5.547 -8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 95 15.821 6.480 -8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.291 4.046 -10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 95 15.046 5.705 -10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 17.173 4.865 -11.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.408 6.133 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 17.645 4.525 -9.754 1.00 0.00 H new ATOM 1367 N ASN A 96 14.595 2.529 -4.479 1.00 0.00 N ATOM 1368 CA ASN A 96 14.208 2.880 -3.103 1.00 0.00 C ATOM 1369 C ASN A 96 14.785 1.879 -2.067 1.00 0.00 C ATOM 1370 O ASN A 96 15.004 0.713 -2.409 1.00 0.00 O ATOM 1371 CB ASN A 96 12.665 2.926 -2.987 1.00 0.00 C ATOM 1372 CG ASN A 96 11.969 4.013 -3.815 1.00 0.00 C ATOM 1373 OD1 ASN A 96 12.574 4.964 -4.297 1.00 0.00 O ATOM 1374 ND2 ASN A 96 10.659 3.907 -3.963 1.00 0.00 N ATOM 0 H ASN A 96 13.812 2.180 -5.031 1.00 0.00 H new ATOM 0 HA ASN A 96 14.625 3.863 -2.882 1.00 0.00 H new ATOM 0 HB2 ASN A 96 12.267 1.956 -3.286 1.00 0.00 H new ATOM 0 HB3 ASN A 96 12.402 3.069 -1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.145 4.620 -4.481 1.00 0.00 H new ATOM 0 HD22 ASN A 96 10.163 3.113 -3.559 1.00 0.00 H new ATOM 1381 N PRO A 97 14.980 2.288 -0.794 1.00 0.00 N ATOM 1382 CA PRO A 97 15.410 1.386 0.277 1.00 0.00 C ATOM 1383 C PRO A 97 14.291 0.443 0.753 1.00 0.00 C ATOM 1384 O PRO A 97 14.586 -0.646 1.243 1.00 0.00 O ATOM 1385 CB PRO A 97 15.888 2.306 1.405 1.00 0.00 C ATOM 1386 CG PRO A 97 15.038 3.561 1.226 1.00 0.00 C ATOM 1387 CD PRO A 97 14.887 3.657 -0.292 1.00 0.00 C ATOM 0 HA PRO A 97 16.196 0.717 -0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 97 15.734 1.853 2.385 1.00 0.00 H new ATOM 0 HB3 PRO A 97 16.952 2.526 1.319 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.072 3.469 1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 97 15.527 4.443 1.640 1.00 0.00 H new ATOM 0 HD2 PRO A 97 13.931 4.107 -0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 97 15.667 4.284 -0.723 1.00 0.00 H new ATOM 1395 N LYS A 98 13.012 0.820 0.601 1.00 0.00 N ATOM 1396 CA LYS A 98 11.862 0.004 0.983 1.00 0.00 C ATOM 1397 C LYS A 98 11.587 -1.103 -0.058 1.00 0.00 C ATOM 1398 O LYS A 98 11.426 -0.811 -1.241 1.00 0.00 O ATOM 1399 CB LYS A 98 10.667 0.967 1.170 1.00 0.00 C ATOM 1400 CG LYS A 98 10.419 1.327 2.648 1.00 0.00 C ATOM 1401 CD LYS A 98 9.599 0.337 3.507 1.00 0.00 C ATOM 1402 CE LYS A 98 9.526 -1.132 3.033 1.00 0.00 C ATOM 1403 NZ LYS A 98 8.883 -2.003 4.061 1.00 0.00 N ATOM 0 H LYS A 98 12.749 1.720 0.200 1.00 0.00 H new ATOM 0 HA LYS A 98 12.050 -0.528 1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.849 1.880 0.604 1.00 0.00 H new ATOM 0 HB3 LYS A 98 9.769 0.509 0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.389 1.461 3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.914 2.292 2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.013 0.344 4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.580 0.718 3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.962 -1.188 2.102 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.530 -1.498 2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.849 -2.983 3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.436 -1.967 4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.916 -1.667 4.245 1.00 0.00 H new ATOM 1417 N GLN A 99 11.509 -2.369 0.379 1.00 0.00 N ATOM 1418 CA GLN A 99 11.328 -3.555 -0.478 1.00 0.00 C ATOM 1419 C GLN A 99 10.180 -4.471 0.020 1.00 0.00 C ATOM 1420 O GLN A 99 9.801 -4.378 1.193 1.00 0.00 O ATOM 1421 CB GLN A 99 12.688 -4.290 -0.566 1.00 0.00 C ATOM 1422 CG GLN A 99 13.693 -3.444 -1.369 1.00 0.00 C ATOM 1423 CD GLN A 99 14.970 -4.172 -1.794 1.00 0.00 C ATOM 1424 OE1 GLN A 99 15.426 -5.135 -1.185 1.00 0.00 O ATOM 1425 NE2 GLN A 99 15.591 -3.728 -2.868 1.00 0.00 N ATOM 0 H GLN A 99 11.572 -2.605 1.369 1.00 0.00 H new ATOM 0 HA GLN A 99 11.020 -3.247 -1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.075 -4.476 0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.556 -5.261 -1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.194 -3.069 -2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.971 -2.576 -0.771 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.218 -2.928 -3.379 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.445 -4.184 -3.188 1.00 0.00 H new ATOM 1434 N PRO A 100 9.594 -5.318 -0.862 1.00 0.00 N ATOM 1435 CA PRO A 100 8.412 -6.140 -0.576 1.00 0.00 C ATOM 1436 C PRO A 100 8.714 -7.356 0.305 1.00 0.00 C ATOM 1437 O PRO A 100 9.842 -7.848 0.361 1.00 0.00 O ATOM 1438 CB PRO A 100 7.890 -6.595 -1.948 1.00 0.00 C ATOM 1439 CG PRO A 100 9.144 -6.639 -2.810 1.00 0.00 C ATOM 1440 CD PRO A 100 9.931 -5.448 -2.278 1.00 0.00 C ATOM 0 HA PRO A 100 7.683 -5.557 -0.013 1.00 0.00 H new ATOM 0 HB2 PRO A 100 7.408 -7.571 -1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.153 -5.899 -2.348 1.00 0.00 H new ATOM 0 HG2 PRO A 100 9.689 -7.575 -2.691 1.00 0.00 H new ATOM 0 HG3 PRO A 100 8.915 -6.536 -3.871 1.00 0.00 H new ATOM 0 HD2 PRO A 100 11.002 -5.603 -2.408 1.00 0.00 H new ATOM 0 HD3 PRO A 100 9.672 -4.540 -2.822 1.00 0.00 H new ATOM 1448 N GLN A 101 7.649 -7.881 0.924 1.00 0.00 N ATOM 1449 CA GLN A 101 7.629 -9.190 1.590 1.00 0.00 C ATOM 1450 C GLN A 101 6.207 -9.780 1.691 1.00 0.00 C ATOM 1451 O GLN A 101 6.051 -10.999 1.643 1.00 0.00 O ATOM 1452 CB GLN A 101 8.327 -9.105 2.962 1.00 0.00 C ATOM 1453 CG GLN A 101 7.546 -8.341 4.043 1.00 0.00 C ATOM 1454 CD GLN A 101 8.333 -8.235 5.353 1.00 0.00 C ATOM 1455 OE1 GLN A 101 8.633 -9.223 6.016 1.00 0.00 O ATOM 1456 NE2 GLN A 101 8.718 -7.046 5.776 1.00 0.00 N ATOM 0 H GLN A 101 6.754 -7.395 0.977 1.00 0.00 H new ATOM 0 HA GLN A 101 8.192 -9.887 0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.517 -10.117 3.319 1.00 0.00 H new ATOM 0 HB3 GLN A 101 9.297 -8.626 2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.309 -7.341 3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.598 -8.845 4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 101 8.479 -6.212 5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 101 9.255 -6.961 6.639 1.00 0.00 H new ATOM 1465 N TYR A 102 5.164 -8.935 1.792 1.00 0.00 N ATOM 1466 CA TYR A 102 3.760 -9.374 1.917 1.00 0.00 C ATOM 1467 C TYR A 102 2.982 -9.400 0.586 1.00 0.00 C ATOM 1468 O TYR A 102 1.798 -9.747 0.574 1.00 0.00 O ATOM 1469 CB TYR A 102 3.046 -8.487 2.947 1.00 0.00 C ATOM 1470 CG TYR A 102 3.738 -8.348 4.293 1.00 0.00 C ATOM 1471 CD1 TYR A 102 3.812 -9.452 5.166 1.00 0.00 C ATOM 1472 CD2 TYR A 102 4.303 -7.115 4.677 1.00 0.00 C ATOM 1473 CE1 TYR A 102 4.448 -9.327 6.417 1.00 0.00 C ATOM 1474 CE2 TYR A 102 4.933 -6.981 5.929 1.00 0.00 C ATOM 1475 CZ TYR A 102 5.008 -8.088 6.804 1.00 0.00 C ATOM 1476 OH TYR A 102 5.626 -7.953 8.012 1.00 0.00 O ATOM 0 H TYR A 102 5.272 -7.921 1.789 1.00 0.00 H new ATOM 0 HA TYR A 102 3.782 -10.411 2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.923 -7.492 2.519 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.046 -8.888 3.113 1.00 0.00 H new ATOM 0 HD1 TYR A 102 3.379 -10.398 4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.252 -6.269 4.008 1.00 0.00 H new ATOM 0 HE1 TYR A 102 4.508 -10.177 7.080 1.00 0.00 H new ATOM 0 HE2 TYR A 102 5.359 -6.032 6.221 1.00 0.00 H new ATOM 0 HH TYR A 102 5.953 -7.034 8.111 1.00 0.00 H new ATOM 1486 N ILE A 103 3.629 -9.066 -0.541 1.00 0.00 N ATOM 1487 CA ILE A 103 3.113 -9.376 -1.890 1.00 0.00 C ATOM 1488 C ILE A 103 3.816 -10.626 -2.461 1.00 0.00 C ATOM 1489 O ILE A 103 5.043 -10.734 -2.411 1.00 0.00 O ATOM 1490 CB ILE A 103 3.175 -8.142 -2.824 1.00 0.00 C ATOM 1491 CG1 ILE A 103 2.408 -8.429 -4.138 1.00 0.00 C ATOM 1492 CG2 ILE A 103 4.609 -7.651 -3.089 1.00 0.00 C ATOM 1493 CD1 ILE A 103 2.244 -7.207 -5.052 1.00 0.00 C ATOM 0 H ILE A 103 4.523 -8.575 -0.547 1.00 0.00 H new ATOM 0 HA ILE A 103 2.054 -9.623 -1.815 1.00 0.00 H new ATOM 0 HB ILE A 103 2.683 -7.319 -2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.931 -9.212 -4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.421 -8.819 -3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 103 4.581 -6.785 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 103 5.078 -7.372 -2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.185 -8.448 -3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.696 -7.495 -5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.692 -6.429 -4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.227 -6.828 -5.333 1.00 0.00 H new ATOM 1505 N ILE A 104 3.040 -11.582 -2.986 1.00 0.00 N ATOM 1506 CA ILE A 104 3.515 -12.875 -3.526 1.00 0.00 C ATOM 1507 C ILE A 104 3.052 -13.064 -4.983 1.00 0.00 C ATOM 1508 O ILE A 104 1.917 -12.750 -5.325 1.00 0.00 O ATOM 1509 CB ILE A 104 3.042 -14.048 -2.618 1.00 0.00 C ATOM 1510 CG1 ILE A 104 3.512 -13.901 -1.145 1.00 0.00 C ATOM 1511 CG2 ILE A 104 3.562 -15.397 -3.153 1.00 0.00 C ATOM 1512 CD1 ILE A 104 2.502 -13.193 -0.231 1.00 0.00 C ATOM 0 H ILE A 104 2.027 -11.479 -3.052 1.00 0.00 H new ATOM 0 HA ILE A 104 4.605 -12.872 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 104 1.953 -14.017 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.719 -14.892 -0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.451 -13.347 -1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.220 -16.202 -2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.183 -15.559 -4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.652 -15.385 -3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.907 -13.131 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.312 -12.188 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.569 -13.756 -0.214 1.00 0.00 H new ATOM 1524 N SER A 105 3.907 -13.594 -5.856 1.00 0.00 N ATOM 1525 CA SER A 105 3.626 -13.827 -7.278 1.00 0.00 C ATOM 1526 C SER A 105 2.897 -15.168 -7.505 1.00 0.00 C ATOM 1527 O SER A 105 3.356 -16.215 -7.042 1.00 0.00 O ATOM 1528 CB SER A 105 4.947 -13.825 -8.080 1.00 0.00 C ATOM 1529 OG SER A 105 5.844 -12.785 -7.688 1.00 0.00 O ATOM 0 H SER A 105 4.847 -13.884 -5.587 1.00 0.00 H new ATOM 0 HA SER A 105 2.975 -13.023 -7.621 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.442 -14.788 -7.955 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.720 -13.719 -9.141 1.00 0.00 H new ATOM 0 HG SER A 105 6.660 -12.836 -8.228 1.00 0.00 H new ATOM 1535 N VAL A 106 1.788 -15.151 -8.256 1.00 0.00 N ATOM 1536 CA VAL A 106 1.007 -16.341 -8.662 1.00 0.00 C ATOM 1537 C VAL A 106 1.098 -16.511 -10.185 1.00 0.00 C ATOM 1538 O VAL A 106 0.362 -15.876 -10.946 1.00 0.00 O ATOM 1539 CB VAL A 106 -0.470 -16.270 -8.183 1.00 0.00 C ATOM 1540 CG1 VAL A 106 -1.197 -17.598 -8.461 1.00 0.00 C ATOM 1541 CG2 VAL A 106 -0.574 -15.954 -6.679 1.00 0.00 C ATOM 0 H VAL A 106 1.391 -14.282 -8.613 1.00 0.00 H new ATOM 0 HA VAL A 106 1.438 -17.217 -8.177 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.941 -15.462 -8.743 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.229 -17.526 -8.118 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.184 -17.803 -9.531 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.694 -18.406 -7.931 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.623 -15.914 -6.387 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.068 -16.732 -6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.104 -14.992 -6.476 1.00 0.00 H new ATOM 1601 N GLY A 110 -1.493 -13.541 -11.583 1.00 0.00 N ATOM 1602 CA GLY A 110 -2.012 -12.842 -10.410 1.00 0.00 C ATOM 1603 C GLY A 110 -0.910 -12.563 -9.394 1.00 0.00 C ATOM 1604 O GLY A 110 0.127 -13.229 -9.381 1.00 0.00 O ATOM 0 HA2 GLY A 110 -2.471 -11.903 -10.718 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.795 -13.441 -9.945 1.00 0.00 H new ATOM 1608 N TYR A 111 -1.136 -11.602 -8.504 1.00 0.00 N ATOM 1609 CA TYR A 111 -0.233 -11.320 -7.381 1.00 0.00 C ATOM 1610 C TYR A 111 -1.033 -11.143 -6.093 1.00 0.00 C ATOM 1611 O TYR A 111 -1.892 -10.270 -5.989 1.00 0.00 O ATOM 1612 CB TYR A 111 0.630 -10.086 -7.669 1.00 0.00 C ATOM 1613 CG TYR A 111 1.476 -10.193 -8.930 1.00 0.00 C ATOM 1614 CD1 TYR A 111 0.889 -10.025 -10.201 1.00 0.00 C ATOM 1615 CD2 TYR A 111 2.843 -10.520 -8.834 1.00 0.00 C ATOM 1616 CE1 TYR A 111 1.641 -10.247 -11.369 1.00 0.00 C ATOM 1617 CE2 TYR A 111 3.610 -10.716 -10.000 1.00 0.00 C ATOM 1618 CZ TYR A 111 3.007 -10.592 -11.271 1.00 0.00 C ATOM 1619 OH TYR A 111 3.754 -10.776 -12.398 1.00 0.00 O ATOM 0 H TYR A 111 -1.952 -10.991 -8.537 1.00 0.00 H new ATOM 0 HA TYR A 111 0.438 -12.169 -7.254 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -0.020 -9.215 -7.754 1.00 0.00 H new ATOM 0 HB3 TYR A 111 1.288 -9.911 -6.818 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -0.145 -9.724 -10.278 1.00 0.00 H new ATOM 0 HD2 TYR A 111 3.305 -10.621 -7.863 1.00 0.00 H new ATOM 0 HE1 TYR A 111 1.175 -10.154 -12.339 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.659 -10.961 -9.922 1.00 0.00 H new ATOM 0 HH TYR A 111 4.673 -11.008 -12.147 1.00 0.00 H new ATOM 1629 N LYS A 112 -0.762 -11.984 -5.099 1.00 0.00 N ATOM 1630 CA LYS A 112 -1.469 -11.949 -3.821 1.00 0.00 C ATOM 1631 C LYS A 112 -0.906 -10.838 -2.930 1.00 0.00 C ATOM 1632 O LYS A 112 0.270 -10.865 -2.572 1.00 0.00 O ATOM 1633 CB LYS A 112 -1.448 -13.315 -3.111 1.00 0.00 C ATOM 1634 CG LYS A 112 -2.552 -13.344 -2.034 1.00 0.00 C ATOM 1635 CD LYS A 112 -2.531 -14.562 -1.102 1.00 0.00 C ATOM 1636 CE LYS A 112 -1.306 -14.552 -0.171 1.00 0.00 C ATOM 1637 NZ LYS A 112 -1.545 -15.350 1.064 1.00 0.00 N ATOM 0 H LYS A 112 -0.047 -12.709 -5.156 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.516 -11.724 -4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.607 -14.116 -3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.473 -13.486 -2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -2.468 -12.442 -1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.521 -13.305 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -3.442 -14.577 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.527 -15.475 -1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.442 -14.953 -0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.064 -13.525 0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.637 -15.548 1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -2.157 -14.813 1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -2.009 -16.247 0.814 1.00 0.00 H new ATOM 1651 N LEU A 113 -1.765 -9.904 -2.537 1.00 0.00 N ATOM 1652 CA LEU A 113 -1.565 -8.951 -1.438 1.00 0.00 C ATOM 1653 C LEU A 113 -2.486 -9.414 -0.291 1.00 0.00 C ATOM 1654 O LEU A 113 -3.468 -10.112 -0.544 1.00 0.00 O ATOM 1655 CB LEU A 113 -1.900 -7.543 -2.002 1.00 0.00 C ATOM 1656 CG LEU A 113 -1.348 -6.269 -1.320 1.00 0.00 C ATOM 1657 CD1 LEU A 113 -1.842 -6.021 0.109 1.00 0.00 C ATOM 1658 CD2 LEU A 113 0.183 -6.230 -1.360 1.00 0.00 C ATOM 0 H LEU A 113 -2.667 -9.780 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.550 -8.905 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.563 -7.524 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.986 -7.454 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.758 -5.454 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.396 -5.104 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.928 -5.923 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.555 -6.859 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.537 -5.322 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 113 0.583 -7.100 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.520 -6.240 -2.396 1.00 0.00 H new ATOM 1670 N GLU A 114 -2.215 -9.055 0.962 1.00 0.00 N ATOM 1671 CA GLU A 114 -3.090 -9.419 2.090 1.00 0.00 C ATOM 1672 C GLU A 114 -3.066 -8.374 3.220 1.00 0.00 C ATOM 1673 O GLU A 114 -2.050 -7.717 3.460 1.00 0.00 O ATOM 1674 CB GLU A 114 -2.692 -10.819 2.598 1.00 0.00 C ATOM 1675 CG GLU A 114 -3.822 -11.571 3.310 1.00 0.00 C ATOM 1676 CD GLU A 114 -3.378 -12.995 3.686 1.00 0.00 C ATOM 1677 OE1 GLU A 114 -3.228 -13.851 2.779 1.00 0.00 O ATOM 1678 OE2 GLU A 114 -3.173 -13.271 4.891 1.00 0.00 O ATOM 0 H GLU A 114 -1.395 -8.510 1.229 1.00 0.00 H new ATOM 0 HA GLU A 114 -4.121 -9.440 1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.349 -11.416 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -1.849 -10.720 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.117 -11.028 4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -4.698 -11.617 2.663 1.00 0.00 H new ATOM 1685 N TYR A 115 -4.216 -8.221 3.889 1.00 0.00 N ATOM 1686 CA TYR A 115 -4.487 -7.201 4.916 1.00 0.00 C ATOM 1687 C TYR A 115 -3.770 -7.488 6.253 1.00 0.00 C ATOM 1688 O TYR A 115 -3.055 -6.590 6.759 1.00 0.00 O ATOM 1689 CB TYR A 115 -6.010 -7.078 5.092 1.00 0.00 C ATOM 1690 CG TYR A 115 -6.466 -5.882 5.908 1.00 0.00 C ATOM 1691 CD1 TYR A 115 -6.569 -5.979 7.310 1.00 0.00 C ATOM 1692 CD2 TYR A 115 -6.813 -4.680 5.260 1.00 0.00 C ATOM 1693 CE1 TYR A 115 -7.015 -4.876 8.066 1.00 0.00 C ATOM 1694 CE2 TYR A 115 -7.268 -3.578 6.011 1.00 0.00 C ATOM 1695 CZ TYR A 115 -7.368 -3.671 7.417 1.00 0.00 C ATOM 1696 OH TYR A 115 -7.810 -2.603 8.136 1.00 0.00 O ATOM 1697 OXT TYR A 115 -3.920 -8.607 6.803 1.00 0.00 O ATOM 0 H TYR A 115 -5.018 -8.829 3.724 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.079 -6.248 4.578 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.472 -7.024 4.106 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.380 -7.986 5.568 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -6.305 -6.901 7.807 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.730 -4.603 4.186 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -7.087 -4.952 9.141 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -7.541 -2.661 5.511 1.00 0.00 H new ATOM 0 HH TYR A 115 -7.404 -2.618 9.028 1.00 0.00 H new