USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 732 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 33 SER OG : rot -28:sc= 0.151 USER MOD Single : A 34 TYR OH : rot 165:sc= -0.722 USER MOD Single : A 46 ASN : amide:sc= -4.38! C(o=-4.4!,f=-4.4!) USER MOD Single : A 48 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.7!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc=-0.00925 X(o=-0.0093,f=-0.22) USER MOD Single : A 55 TYR OH : rot -110:sc= 0.478 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.00357) USER MOD Single : A 72 THR OG1 : rot 157:sc= 1.47 USER MOD Single : A 74 LYS NZ :NH3+ -133:sc= 0.679 (180deg=-1.96!) USER MOD Single : A 77 SER OG : rot 19:sc= 0.149 USER MOD Single : A 79 THR OG1 : rot 88:sc= -0.353 USER MOD Single : A 81 LYS NZ :NH3+ -141:sc= 1.05 (180deg=-0.353) USER MOD Single : A 83 THR OG1 : rot 67:sc= -0.792 USER MOD Single : A 89 THR OG1 : rot 62:sc= 0.0546 USER MOD Single : A 91 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.0094) USER MOD Single : A 99 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.21) USER MOD Single : A 101 ASN : amide:sc= -0.0583 X(o=-0.058,f=-0.014) USER MOD Single : A 105 LYS NZ :NH3+ -158:sc= 0.279 (180deg=0.222) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 110 THR OG1 : rot 26:sc= 0.324 USER MOD Single : A 112 THR OG1 : rot 65:sc= 0.0413 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 147:sc= 1.31 (180deg=0.578) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 101 N SER A 33 12.450 5.325 1.570 1.00 0.00 N ATOM 102 CA SER A 33 11.522 4.713 2.573 1.00 0.00 C ATOM 103 C SER A 33 10.595 3.695 1.893 1.00 0.00 C ATOM 104 O SER A 33 9.996 3.971 0.870 1.00 0.00 O ATOM 105 CB SER A 33 10.717 5.879 3.157 1.00 0.00 C ATOM 106 OG SER A 33 10.494 6.868 2.157 1.00 0.00 O ATOM 0 HA SER A 33 12.063 4.174 3.351 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.763 5.517 3.541 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.254 6.316 3.999 1.00 0.00 H new ATOM 0 HG SER A 33 11.221 6.839 1.500 1.00 0.00 H new ATOM 112 N TYR A 34 10.480 2.516 2.458 1.00 0.00 N ATOM 113 CA TYR A 34 9.599 1.465 1.854 1.00 0.00 C ATOM 114 C TYR A 34 8.120 1.874 1.943 1.00 0.00 C ATOM 115 O TYR A 34 7.347 1.626 1.035 1.00 0.00 O ATOM 116 CB TYR A 34 9.867 0.200 2.676 1.00 0.00 C ATOM 117 CG TYR A 34 8.868 -0.875 2.314 1.00 0.00 C ATOM 118 CD1 TYR A 34 9.048 -1.630 1.149 1.00 0.00 C ATOM 119 CD2 TYR A 34 7.767 -1.116 3.144 1.00 0.00 C ATOM 120 CE1 TYR A 34 8.127 -2.628 0.813 1.00 0.00 C ATOM 121 CE2 TYR A 34 6.844 -2.110 2.809 1.00 0.00 C ATOM 122 CZ TYR A 34 7.022 -2.869 1.645 1.00 0.00 C ATOM 123 OH TYR A 34 6.110 -3.855 1.321 1.00 0.00 O ATOM 0 H TYR A 34 10.960 2.236 3.314 1.00 0.00 H new ATOM 0 HA TYR A 34 9.811 1.314 0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.880 -0.156 2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.799 0.427 3.740 1.00 0.00 H new ATOM 0 HD1 TYR A 34 9.898 -1.442 0.510 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.631 -0.534 4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 34 8.266 -3.212 -0.085 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.993 -2.293 3.448 1.00 0.00 H new ATOM 0 HH TYR A 34 5.553 -4.055 2.102 1.00 0.00 H new ATOM 133 N ARG A 35 7.722 2.503 3.024 1.00 0.00 N ATOM 134 CA ARG A 35 6.296 2.933 3.161 1.00 0.00 C ATOM 135 C ARG A 35 5.924 3.876 2.009 1.00 0.00 C ATOM 136 O ARG A 35 4.838 3.807 1.466 1.00 0.00 O ATOM 137 CB ARG A 35 6.225 3.663 4.505 1.00 0.00 C ATOM 138 CG ARG A 35 4.859 3.419 5.152 1.00 0.00 C ATOM 139 CD ARG A 35 4.962 2.250 6.136 1.00 0.00 C ATOM 140 NE ARG A 35 3.704 2.304 6.935 1.00 0.00 N ATOM 141 CZ ARG A 35 3.022 1.212 7.158 1.00 0.00 C ATOM 142 NH1 ARG A 35 3.526 0.271 7.914 1.00 0.00 N ATOM 143 NH2 ARG A 35 1.838 1.064 6.623 1.00 0.00 N ATOM 0 H ARG A 35 8.323 2.736 3.815 1.00 0.00 H new ATOM 0 HA ARG A 35 5.602 2.093 3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.019 3.310 5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.383 4.731 4.359 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.525 4.317 5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.116 3.199 4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.055 1.299 5.611 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.840 2.348 6.775 1.00 0.00 H new ATOM 0 HE ARG A 35 3.375 3.195 7.308 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.450 0.390 8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.995 -0.582 8.089 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.449 1.800 6.033 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.303 0.213 6.795 1.00 0.00 H new ATOM 157 N GLU A 36 6.834 4.742 1.625 1.00 0.00 N ATOM 158 CA GLU A 36 6.557 5.683 0.496 1.00 0.00 C ATOM 159 C GLU A 36 6.427 4.897 -0.814 1.00 0.00 C ATOM 160 O GLU A 36 5.597 5.203 -1.649 1.00 0.00 O ATOM 161 CB GLU A 36 7.768 6.622 0.443 1.00 0.00 C ATOM 162 CG GLU A 36 7.292 8.077 0.380 1.00 0.00 C ATOM 163 CD GLU A 36 8.265 8.900 -0.468 1.00 0.00 C ATOM 164 OE1 GLU A 36 9.343 9.196 0.021 1.00 0.00 O ATOM 165 OE2 GLU A 36 7.915 9.221 -1.592 1.00 0.00 O ATOM 0 H GLU A 36 7.758 4.836 2.047 1.00 0.00 H new ATOM 0 HA GLU A 36 5.628 6.236 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.395 6.472 1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.381 6.392 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.291 8.124 -0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.228 8.493 1.385 1.00 0.00 H new ATOM 172 N ALA A 37 7.236 3.878 -0.990 1.00 0.00 N ATOM 173 CA ALA A 37 7.159 3.055 -2.237 1.00 0.00 C ATOM 174 C ALA A 37 5.797 2.358 -2.321 1.00 0.00 C ATOM 175 O ALA A 37 5.198 2.278 -3.376 1.00 0.00 O ATOM 176 CB ALA A 37 8.283 2.021 -2.115 1.00 0.00 C ATOM 0 H ALA A 37 7.947 3.582 -0.322 1.00 0.00 H new ATOM 0 HA ALA A 37 7.268 3.662 -3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.286 1.381 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.242 2.533 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.122 1.412 -1.226 1.00 0.00 H new ATOM 182 N VAL A 38 5.303 1.867 -1.212 1.00 0.00 N ATOM 183 CA VAL A 38 3.970 1.186 -1.212 1.00 0.00 C ATOM 184 C VAL A 38 2.869 2.213 -1.485 1.00 0.00 C ATOM 185 O VAL A 38 1.907 1.933 -2.174 1.00 0.00 O ATOM 186 CB VAL A 38 3.816 0.586 0.193 1.00 0.00 C ATOM 187 CG1 VAL A 38 2.515 -0.214 0.269 1.00 0.00 C ATOM 188 CG2 VAL A 38 4.997 -0.341 0.498 1.00 0.00 C ATOM 0 H VAL A 38 5.766 1.908 -0.304 1.00 0.00 H new ATOM 0 HA VAL A 38 3.896 0.418 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 38 3.794 1.395 0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.407 -0.639 1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.671 0.444 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.538 -1.017 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.880 -0.763 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.026 -1.147 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.927 0.226 0.450 1.00 0.00 H new ATOM 198 N LEU A 39 3.016 3.405 -0.958 1.00 0.00 N ATOM 199 CA LEU A 39 1.995 4.470 -1.190 1.00 0.00 C ATOM 200 C LEU A 39 1.918 4.797 -2.685 1.00 0.00 C ATOM 201 O LEU A 39 0.846 4.926 -3.246 1.00 0.00 O ATOM 202 CB LEU A 39 2.500 5.680 -0.395 1.00 0.00 C ATOM 203 CG LEU A 39 1.348 6.659 -0.151 1.00 0.00 C ATOM 204 CD1 LEU A 39 1.195 6.900 1.352 1.00 0.00 C ATOM 205 CD2 LEU A 39 1.653 7.988 -0.848 1.00 0.00 C ATOM 0 H LEU A 39 3.804 3.685 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 39 0.995 4.169 -0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.918 5.352 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.302 6.177 -0.942 1.00 0.00 H new ATOM 0 HG LEU A 39 0.424 6.240 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.375 7.597 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.981 5.955 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.119 7.320 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.834 8.686 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.576 8.406 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.766 7.820 -1.919 1.00 0.00 H new ATOM 217 N ARG A 40 3.053 4.911 -3.333 1.00 0.00 N ATOM 218 CA ARG A 40 3.060 5.209 -4.796 1.00 0.00 C ATOM 219 C ARG A 40 2.637 3.961 -5.581 1.00 0.00 C ATOM 220 O ARG A 40 1.939 4.051 -6.573 1.00 0.00 O ATOM 221 CB ARG A 40 4.509 5.587 -5.125 1.00 0.00 C ATOM 222 CG ARG A 40 4.691 7.102 -4.996 1.00 0.00 C ATOM 223 CD ARG A 40 5.979 7.525 -5.714 1.00 0.00 C ATOM 224 NE ARG A 40 5.879 9.007 -5.862 1.00 0.00 N ATOM 225 CZ ARG A 40 5.210 9.525 -6.863 1.00 0.00 C ATOM 226 NH1 ARG A 40 5.547 9.237 -8.095 1.00 0.00 N ATOM 227 NH2 ARG A 40 4.207 10.331 -6.627 1.00 0.00 N ATOM 0 H ARG A 40 3.975 4.810 -2.909 1.00 0.00 H new ATOM 0 HA ARG A 40 2.367 6.008 -5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.192 5.071 -4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.758 5.266 -6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.834 7.620 -5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.738 7.385 -3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.861 7.246 -5.137 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.066 7.038 -6.685 1.00 0.00 H new ATOM 0 HE ARG A 40 6.332 9.618 -5.183 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.330 8.609 -8.276 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.026 9.640 -8.874 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.948 10.555 -5.666 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.684 10.736 -7.404 1.00 0.00 H new ATOM 241 N ALA A 41 3.055 2.798 -5.136 1.00 0.00 N ATOM 242 CA ALA A 41 2.681 1.534 -5.842 1.00 0.00 C ATOM 243 C ALA A 41 1.169 1.305 -5.755 1.00 0.00 C ATOM 244 O ALA A 41 0.537 0.927 -6.724 1.00 0.00 O ATOM 245 CB ALA A 41 3.431 0.421 -5.106 1.00 0.00 C ATOM 0 H ALA A 41 3.641 2.672 -4.311 1.00 0.00 H new ATOM 0 HA ALA A 41 2.940 1.567 -6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.204 -0.539 -5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.504 0.607 -5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.120 0.402 -4.062 1.00 0.00 H new ATOM 251 N VAL A 42 0.583 1.536 -4.605 1.00 0.00 N ATOM 252 CA VAL A 42 -0.891 1.334 -4.461 1.00 0.00 C ATOM 253 C VAL A 42 -1.645 2.341 -5.344 1.00 0.00 C ATOM 254 O VAL A 42 -2.622 2.000 -5.987 1.00 0.00 O ATOM 255 CB VAL A 42 -1.182 1.562 -2.968 1.00 0.00 C ATOM 256 CG1 VAL A 42 -2.664 1.890 -2.760 1.00 0.00 C ATOM 257 CG2 VAL A 42 -0.837 0.291 -2.187 1.00 0.00 C ATOM 0 H VAL A 42 1.061 1.855 -3.762 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.215 0.343 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.578 2.397 -2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.856 2.049 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.918 2.794 -3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.274 1.061 -3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.042 0.448 -1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.442 -0.538 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.219 0.057 -2.322 1.00 0.00 H new ATOM 267 N ASP A 43 -1.193 3.571 -5.390 1.00 0.00 N ATOM 268 CA ASP A 43 -1.879 4.589 -6.243 1.00 0.00 C ATOM 269 C ASP A 43 -1.649 4.274 -7.725 1.00 0.00 C ATOM 270 O ASP A 43 -2.542 4.403 -8.538 1.00 0.00 O ATOM 271 CB ASP A 43 -1.243 5.934 -5.869 1.00 0.00 C ATOM 272 CG ASP A 43 -2.239 6.768 -5.058 1.00 0.00 C ATOM 273 OD1 ASP A 43 -2.700 6.282 -4.037 1.00 0.00 O ATOM 274 OD2 ASP A 43 -2.522 7.880 -5.472 1.00 0.00 O ATOM 0 H ASP A 43 -0.381 3.912 -4.875 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.957 4.599 -6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.335 5.769 -5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.952 6.473 -6.771 1.00 0.00 H new ATOM 279 N ARG A 44 -0.464 3.845 -8.083 1.00 0.00 N ATOM 280 CA ARG A 44 -0.200 3.509 -9.516 1.00 0.00 C ATOM 281 C ARG A 44 -1.024 2.280 -9.913 1.00 0.00 C ATOM 282 O ARG A 44 -1.562 2.211 -11.002 1.00 0.00 O ATOM 283 CB ARG A 44 1.301 3.209 -9.611 1.00 0.00 C ATOM 284 CG ARG A 44 1.972 4.228 -10.538 1.00 0.00 C ATOM 285 CD ARG A 44 3.297 4.687 -9.924 1.00 0.00 C ATOM 286 NE ARG A 44 3.814 5.730 -10.857 1.00 0.00 N ATOM 287 CZ ARG A 44 4.637 5.399 -11.817 1.00 0.00 C ATOM 288 NH1 ARG A 44 5.905 5.219 -11.556 1.00 0.00 N ATOM 289 NH2 ARG A 44 4.190 5.250 -13.035 1.00 0.00 N ATOM 0 H ARG A 44 0.326 3.714 -7.451 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.478 4.322 -10.186 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.754 3.250 -8.620 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.457 2.199 -9.991 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.148 3.783 -11.517 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.315 5.084 -10.691 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.149 5.092 -8.923 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.998 3.857 -9.832 1.00 0.00 H new ATOM 0 HE ARG A 44 3.525 6.702 -10.746 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.251 5.337 -10.604 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.548 4.961 -12.304 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.200 5.392 -13.236 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.831 4.992 -13.785 1.00 0.00 H new ATOM 303 N LEU A 45 -1.132 1.318 -9.027 1.00 0.00 N ATOM 304 CA LEU A 45 -1.925 0.090 -9.332 1.00 0.00 C ATOM 305 C LEU A 45 -3.390 0.451 -9.606 1.00 0.00 C ATOM 306 O LEU A 45 -4.001 -0.073 -10.515 1.00 0.00 O ATOM 307 CB LEU A 45 -1.814 -0.779 -8.074 1.00 0.00 C ATOM 308 CG LEU A 45 -2.518 -2.121 -8.302 1.00 0.00 C ATOM 309 CD1 LEU A 45 -1.615 -3.259 -7.825 1.00 0.00 C ATOM 310 CD2 LEU A 45 -3.833 -2.153 -7.515 1.00 0.00 C ATOM 0 H LEU A 45 -0.702 1.333 -8.102 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.556 -0.425 -10.219 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.765 -0.946 -7.828 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.262 -0.263 -7.225 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.728 -2.242 -9.365 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.116 -4.213 -7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.680 -3.240 -8.385 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.405 -3.136 -6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.332 -3.108 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.624 -2.030 -6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.479 -1.343 -7.854 1.00 0.00 H new ATOM 322 N ASN A 46 -3.955 1.337 -8.825 1.00 0.00 N ATOM 323 CA ASN A 46 -5.386 1.721 -9.041 1.00 0.00 C ATOM 324 C ASN A 46 -5.560 2.432 -10.391 1.00 0.00 C ATOM 325 O ASN A 46 -6.537 2.220 -11.085 1.00 0.00 O ATOM 326 CB ASN A 46 -5.756 2.628 -7.843 1.00 0.00 C ATOM 327 CG ASN A 46 -5.763 4.120 -8.226 1.00 0.00 C ATOM 328 OD1 ASN A 46 -4.973 4.887 -7.720 1.00 0.00 O ATOM 329 ND2 ASN A 46 -6.642 4.571 -9.080 1.00 0.00 N ATOM 0 H ASN A 46 -3.491 1.810 -8.050 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.046 0.854 -9.084 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.739 2.346 -7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.045 2.466 -7.033 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.660 5.563 -9.317 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.310 3.931 -9.510 1.00 0.00 H new ATOM 336 N GLU A 47 -4.627 3.268 -10.766 1.00 0.00 N ATOM 337 CA GLU A 47 -4.748 3.990 -12.068 1.00 0.00 C ATOM 338 C GLU A 47 -4.418 3.057 -13.238 1.00 0.00 C ATOM 339 O GLU A 47 -5.035 3.124 -14.284 1.00 0.00 O ATOM 340 CB GLU A 47 -3.732 5.134 -11.993 1.00 0.00 C ATOM 341 CG GLU A 47 -4.427 6.403 -11.488 1.00 0.00 C ATOM 342 CD GLU A 47 -5.267 7.013 -12.615 1.00 0.00 C ATOM 343 OE1 GLU A 47 -6.400 6.589 -12.783 1.00 0.00 O ATOM 344 OE2 GLU A 47 -4.765 7.894 -13.292 1.00 0.00 O ATOM 0 H GLU A 47 -3.787 3.482 -10.228 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.762 4.355 -12.234 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.914 4.865 -11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.296 5.312 -12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.062 6.166 -10.635 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.685 7.123 -11.143 1.00 0.00 H new ATOM 351 N GLN A 48 -3.449 2.190 -13.068 1.00 0.00 N ATOM 352 CA GLN A 48 -3.069 1.252 -14.171 1.00 0.00 C ATOM 353 C GLN A 48 -4.107 0.132 -14.311 1.00 0.00 C ATOM 354 O GLN A 48 -4.434 -0.281 -15.408 1.00 0.00 O ATOM 355 CB GLN A 48 -1.709 0.677 -13.763 1.00 0.00 C ATOM 356 CG GLN A 48 -0.778 0.643 -14.979 1.00 0.00 C ATOM 357 CD GLN A 48 0.510 1.412 -14.665 1.00 0.00 C ATOM 358 OE1 GLN A 48 1.105 1.225 -13.624 1.00 0.00 O ATOM 359 NE2 GLN A 48 0.970 2.276 -15.530 1.00 0.00 N ATOM 0 H GLN A 48 -2.904 2.091 -12.211 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.024 1.759 -15.135 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.269 1.285 -12.972 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.834 -0.328 -13.360 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.543 -0.389 -15.240 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.275 1.085 -15.842 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.472 2.435 -16.406 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.827 2.791 -15.330 1.00 0.00 H new ATOM 368 N SER A 49 -4.628 -0.361 -13.213 1.00 0.00 N ATOM 369 CA SER A 49 -5.644 -1.452 -13.289 1.00 0.00 C ATOM 370 C SER A 49 -6.947 -0.924 -13.896 1.00 0.00 C ATOM 371 O SER A 49 -7.202 0.266 -13.920 1.00 0.00 O ATOM 372 CB SER A 49 -5.868 -1.900 -11.844 1.00 0.00 C ATOM 373 OG SER A 49 -6.654 -3.087 -11.836 1.00 0.00 O ATOM 0 H SER A 49 -4.392 -0.054 -12.269 1.00 0.00 H new ATOM 0 HA SER A 49 -5.311 -2.276 -13.920 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.911 -2.081 -11.355 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.371 -1.113 -11.281 1.00 0.00 H new ATOM 0 HG SER A 49 -6.798 -3.378 -10.911 1.00 0.00 H new ATOM 379 N SER A 50 -7.771 -1.810 -14.382 1.00 0.00 N ATOM 380 CA SER A 50 -9.065 -1.390 -14.996 1.00 0.00 C ATOM 381 C SER A 50 -10.237 -1.771 -14.080 1.00 0.00 C ATOM 382 O SER A 50 -11.314 -2.099 -14.541 1.00 0.00 O ATOM 383 CB SER A 50 -9.144 -2.155 -16.319 1.00 0.00 C ATOM 384 OG SER A 50 -8.000 -1.853 -17.109 1.00 0.00 O ATOM 0 H SER A 50 -7.603 -2.816 -14.381 1.00 0.00 H new ATOM 0 HA SER A 50 -9.120 -0.312 -15.146 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.196 -3.227 -16.129 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.053 -1.882 -16.856 1.00 0.00 H new ATOM 0 HG SER A 50 -8.049 -2.344 -17.956 1.00 0.00 H new ATOM 390 N GLU A 51 -10.033 -1.726 -12.786 1.00 0.00 N ATOM 391 CA GLU A 51 -11.131 -2.082 -11.836 1.00 0.00 C ATOM 392 C GLU A 51 -12.231 -1.009 -11.857 1.00 0.00 C ATOM 393 O GLU A 51 -12.072 0.049 -12.440 1.00 0.00 O ATOM 394 CB GLU A 51 -10.460 -2.144 -10.460 1.00 0.00 C ATOM 395 CG GLU A 51 -10.955 -3.380 -9.696 1.00 0.00 C ATOM 396 CD GLU A 51 -9.759 -4.155 -9.124 1.00 0.00 C ATOM 397 OE1 GLU A 51 -8.936 -3.541 -8.461 1.00 0.00 O ATOM 398 OE2 GLU A 51 -9.692 -5.353 -9.350 1.00 0.00 O ATOM 0 H GLU A 51 -9.152 -1.458 -12.347 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.612 -3.025 -12.098 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.377 -2.186 -10.575 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.686 -1.240 -9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.622 -3.076 -8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.531 -4.023 -10.361 1.00 0.00 H new ATOM 405 N ALA A 52 -13.345 -1.278 -11.227 1.00 0.00 N ATOM 406 CA ALA A 52 -14.461 -0.284 -11.205 1.00 0.00 C ATOM 407 C ALA A 52 -14.358 0.609 -9.963 1.00 0.00 C ATOM 408 O ALA A 52 -14.573 1.806 -10.031 1.00 0.00 O ATOM 409 CB ALA A 52 -15.740 -1.123 -11.159 1.00 0.00 C ATOM 0 H ALA A 52 -13.531 -2.146 -10.725 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.438 0.378 -12.071 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.607 -0.463 -11.141 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.788 -1.761 -12.041 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.737 -1.743 -10.262 1.00 0.00 H new ATOM 415 N ASN A 53 -14.030 0.035 -8.832 1.00 0.00 N ATOM 416 CA ASN A 53 -13.909 0.838 -7.581 1.00 0.00 C ATOM 417 C ASN A 53 -12.438 0.999 -7.193 1.00 0.00 C ATOM 418 O ASN A 53 -11.592 0.227 -7.606 1.00 0.00 O ATOM 419 CB ASN A 53 -14.654 0.032 -6.512 1.00 0.00 C ATOM 420 CG ASN A 53 -15.871 0.822 -6.022 1.00 0.00 C ATOM 421 OD1 ASN A 53 -15.747 1.958 -5.608 1.00 0.00 O ATOM 422 ND2 ASN A 53 -17.050 0.265 -6.053 1.00 0.00 N ATOM 0 H ASN A 53 -13.840 -0.961 -8.723 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.321 1.840 -7.699 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.972 -0.927 -6.922 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.988 -0.184 -5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.867 0.783 -5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.155 -0.688 -6.400 1.00 0.00 H new ATOM 429 N LEU A 54 -12.126 1.990 -6.395 1.00 0.00 N ATOM 430 CA LEU A 54 -10.706 2.196 -5.970 1.00 0.00 C ATOM 431 C LEU A 54 -10.326 1.172 -4.893 1.00 0.00 C ATOM 432 O LEU A 54 -11.165 0.706 -4.144 1.00 0.00 O ATOM 433 CB LEU A 54 -10.650 3.615 -5.392 1.00 0.00 C ATOM 434 CG LEU A 54 -10.304 4.619 -6.495 1.00 0.00 C ATOM 435 CD1 LEU A 54 -10.420 6.039 -5.941 1.00 0.00 C ATOM 436 CD2 LEU A 54 -8.872 4.383 -6.979 1.00 0.00 C ATOM 0 H LEU A 54 -12.792 2.665 -6.020 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.012 2.070 -6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.610 3.872 -4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.905 3.664 -4.598 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.994 4.490 -7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.174 6.756 -6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.439 6.213 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.729 6.162 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.630 5.100 -7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.181 4.510 -6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.783 3.370 -7.373 1.00 0.00 H new ATOM 448 N TYR A 55 -9.065 0.825 -4.804 1.00 0.00 N ATOM 449 CA TYR A 55 -8.628 -0.162 -3.770 1.00 0.00 C ATOM 450 C TYR A 55 -7.455 0.406 -2.966 1.00 0.00 C ATOM 451 O TYR A 55 -6.299 0.173 -3.273 1.00 0.00 O ATOM 452 CB TYR A 55 -8.209 -1.412 -4.550 1.00 0.00 C ATOM 453 CG TYR A 55 -9.424 -2.275 -4.791 1.00 0.00 C ATOM 454 CD1 TYR A 55 -10.204 -2.083 -5.937 1.00 0.00 C ATOM 455 CD2 TYR A 55 -9.777 -3.260 -3.860 1.00 0.00 C ATOM 456 CE1 TYR A 55 -11.336 -2.878 -6.153 1.00 0.00 C ATOM 457 CE2 TYR A 55 -10.907 -4.053 -4.076 1.00 0.00 C ATOM 458 CZ TYR A 55 -11.688 -3.862 -5.224 1.00 0.00 C ATOM 459 OH TYR A 55 -12.806 -4.641 -5.440 1.00 0.00 O ATOM 0 H TYR A 55 -8.321 1.183 -5.403 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.418 -0.390 -3.055 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.755 -1.128 -5.500 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.457 -1.969 -3.991 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.933 -1.322 -6.654 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.176 -3.407 -2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.938 -2.731 -7.038 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -11.179 -4.813 -3.358 1.00 0.00 H new ATOM 0 HH TYR A 55 -13.504 -4.397 -4.797 1.00 0.00 H new ATOM 469 N ARG A 56 -7.756 1.155 -1.936 1.00 0.00 N ATOM 470 CA ARG A 56 -6.679 1.753 -1.093 1.00 0.00 C ATOM 471 C ARG A 56 -6.012 0.672 -0.240 1.00 0.00 C ATOM 472 O ARG A 56 -6.616 -0.334 0.085 1.00 0.00 O ATOM 473 CB ARG A 56 -7.391 2.770 -0.197 1.00 0.00 C ATOM 474 CG ARG A 56 -6.366 3.739 0.393 1.00 0.00 C ATOM 475 CD ARG A 56 -5.878 3.215 1.747 1.00 0.00 C ATOM 476 NE ARG A 56 -5.962 4.380 2.669 1.00 0.00 N ATOM 477 CZ ARG A 56 -6.834 4.385 3.638 1.00 0.00 C ATOM 478 NH1 ARG A 56 -8.039 4.850 3.430 1.00 0.00 N ATOM 479 NH2 ARG A 56 -6.501 3.919 4.815 1.00 0.00 N ATOM 0 H ARG A 56 -8.707 1.379 -1.642 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.897 2.215 -1.695 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.136 3.319 -0.773 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.923 2.255 0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.523 3.852 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.812 4.726 0.514 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.499 2.390 2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.857 2.839 1.679 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.336 5.176 2.543 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.296 5.208 2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.722 4.854 4.188 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.562 3.554 4.972 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.181 3.921 5.575 1.00 0.00 H new ATOM 493 N LEU A 57 -4.775 0.877 0.129 1.00 0.00 N ATOM 494 CA LEU A 57 -4.065 -0.131 0.970 1.00 0.00 C ATOM 495 C LEU A 57 -4.718 -0.221 2.352 1.00 0.00 C ATOM 496 O LEU A 57 -4.776 0.746 3.089 1.00 0.00 O ATOM 497 CB LEU A 57 -2.628 0.380 1.089 1.00 0.00 C ATOM 498 CG LEU A 57 -1.758 -0.686 1.762 1.00 0.00 C ATOM 499 CD1 LEU A 57 -0.372 -0.690 1.120 1.00 0.00 C ATOM 500 CD2 LEU A 57 -1.623 -0.372 3.255 1.00 0.00 C ATOM 0 H LEU A 57 -4.225 1.700 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.104 -1.129 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.232 0.616 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.606 1.302 1.670 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.223 -1.664 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.248 -1.448 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.464 -0.914 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.090 0.289 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.004 -1.132 3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.159 0.606 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.610 -0.367 3.716 1.00 0.00 H new ATOM 512 N LEU A 58 -5.192 -1.383 2.705 1.00 0.00 N ATOM 513 CA LEU A 58 -5.828 -1.568 4.039 1.00 0.00 C ATOM 514 C LEU A 58 -4.757 -1.990 5.051 1.00 0.00 C ATOM 515 O LEU A 58 -4.678 -1.461 6.142 1.00 0.00 O ATOM 516 CB LEU A 58 -6.857 -2.685 3.834 1.00 0.00 C ATOM 517 CG LEU A 58 -7.740 -2.802 5.077 1.00 0.00 C ATOM 518 CD1 LEU A 58 -8.701 -1.612 5.136 1.00 0.00 C ATOM 519 CD2 LEU A 58 -8.545 -4.103 5.012 1.00 0.00 C ATOM 0 H LEU A 58 -5.166 -2.219 2.122 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.297 -0.660 4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.470 -2.472 2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.349 -3.631 3.646 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.112 -2.807 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.330 -1.696 6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.130 -0.685 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.329 -1.607 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.174 -4.186 5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.172 -4.099 4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.862 -4.952 4.971 1.00 0.00 H new ATOM 531 N GLU A 59 -3.927 -2.934 4.681 1.00 0.00 N ATOM 532 CA GLU A 59 -2.846 -3.399 5.599 1.00 0.00 C ATOM 533 C GLU A 59 -1.543 -3.603 4.812 1.00 0.00 C ATOM 534 O GLU A 59 -1.555 -4.072 3.689 1.00 0.00 O ATOM 535 CB GLU A 59 -3.348 -4.729 6.169 1.00 0.00 C ATOM 536 CG GLU A 59 -3.291 -4.695 7.700 1.00 0.00 C ATOM 537 CD GLU A 59 -3.810 -6.024 8.259 1.00 0.00 C ATOM 538 OE1 GLU A 59 -3.189 -7.040 7.990 1.00 0.00 O ATOM 539 OE2 GLU A 59 -4.819 -6.002 8.946 1.00 0.00 O ATOM 0 H GLU A 59 -3.954 -3.404 3.776 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.633 -2.678 6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.370 -4.914 5.838 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.738 -5.550 5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.267 -4.523 8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.893 -3.869 8.079 1.00 0.00 H new ATOM 546 N LEU A 60 -0.422 -3.254 5.392 1.00 0.00 N ATOM 547 CA LEU A 60 0.884 -3.425 4.682 1.00 0.00 C ATOM 548 C LEU A 60 1.687 -4.560 5.325 1.00 0.00 C ATOM 549 O LEU A 60 1.697 -4.726 6.532 1.00 0.00 O ATOM 550 CB LEU A 60 1.615 -2.088 4.848 1.00 0.00 C ATOM 551 CG LEU A 60 3.042 -2.194 4.295 1.00 0.00 C ATOM 552 CD1 LEU A 60 2.999 -2.307 2.769 1.00 0.00 C ATOM 553 CD2 LEU A 60 3.835 -0.945 4.686 1.00 0.00 C ATOM 0 H LEU A 60 -0.354 -2.857 6.329 1.00 0.00 H new ATOM 0 HA LEU A 60 0.750 -3.682 3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.072 -1.301 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.645 -1.809 5.901 1.00 0.00 H new ATOM 0 HG LEU A 60 3.522 -3.080 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.015 -2.382 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.436 -3.196 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.516 -1.423 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.849 -1.020 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.350 -0.061 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.872 -0.863 5.772 1.00 0.00 H new ATOM 565 N ASP A 61 2.364 -5.330 4.521 1.00 0.00 N ATOM 566 CA ASP A 61 3.178 -6.458 5.058 1.00 0.00 C ATOM 567 C ASP A 61 4.661 -6.078 5.090 1.00 0.00 C ATOM 568 O ASP A 61 5.077 -5.108 4.484 1.00 0.00 O ATOM 569 CB ASP A 61 2.949 -7.611 4.079 1.00 0.00 C ATOM 570 CG ASP A 61 3.171 -8.946 4.795 1.00 0.00 C ATOM 571 OD1 ASP A 61 2.226 -9.445 5.384 1.00 0.00 O ATOM 572 OD2 ASP A 61 4.284 -9.444 4.743 1.00 0.00 O ATOM 0 H ASP A 61 2.389 -5.226 3.507 1.00 0.00 H new ATOM 0 HA ASP A 61 2.894 -6.719 6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.936 -7.566 3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.630 -7.523 3.233 1.00 0.00 H new ATOM 577 N GLN A 62 5.458 -6.847 5.784 1.00 0.00 N ATOM 578 CA GLN A 62 6.916 -6.555 5.851 1.00 0.00 C ATOM 579 C GLN A 62 7.683 -7.658 5.109 1.00 0.00 C ATOM 580 O GLN A 62 7.967 -8.702 5.666 1.00 0.00 O ATOM 581 CB GLN A 62 7.257 -6.549 7.343 1.00 0.00 C ATOM 582 CG GLN A 62 8.230 -5.403 7.638 1.00 0.00 C ATOM 583 CD GLN A 62 7.477 -4.259 8.324 1.00 0.00 C ATOM 584 OE1 GLN A 62 7.097 -3.297 7.688 1.00 0.00 O ATOM 585 NE2 GLN A 62 7.242 -4.326 9.606 1.00 0.00 N ATOM 0 H GLN A 62 5.158 -7.668 6.309 1.00 0.00 H new ATOM 0 HA GLN A 62 7.184 -5.606 5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.349 -6.431 7.934 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.702 -7.502 7.629 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.040 -5.755 8.277 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.685 -5.050 6.712 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.561 -5.134 10.141 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.740 -3.571 10.073 1.00 0.00 H new ATOM 594 N PRO A 63 7.977 -7.391 3.859 1.00 0.00 N ATOM 595 CA PRO A 63 8.700 -8.375 3.015 1.00 0.00 C ATOM 596 C PRO A 63 10.184 -8.455 3.405 1.00 0.00 C ATOM 597 O PRO A 63 10.675 -7.625 4.150 1.00 0.00 O ATOM 598 CB PRO A 63 8.532 -7.823 1.602 1.00 0.00 C ATOM 599 CG PRO A 63 8.303 -6.356 1.777 1.00 0.00 C ATOM 600 CD PRO A 63 7.669 -6.157 3.127 1.00 0.00 C ATOM 0 HA PRO A 63 8.315 -9.389 3.123 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.419 -8.013 0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.691 -8.294 1.093 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.244 -5.810 1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.656 -5.972 0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.077 -5.282 3.633 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.593 -6.003 3.042 1.00 0.00 H new ATOM 608 N PRO A 64 10.849 -9.460 2.884 1.00 0.00 N ATOM 609 CA PRO A 64 12.293 -9.665 3.177 1.00 0.00 C ATOM 610 C PRO A 64 13.145 -8.579 2.514 1.00 0.00 C ATOM 611 O PRO A 64 13.068 -8.362 1.319 1.00 0.00 O ATOM 612 CB PRO A 64 12.589 -11.038 2.574 1.00 0.00 C ATOM 613 CG PRO A 64 11.554 -11.225 1.515 1.00 0.00 C ATOM 614 CD PRO A 64 10.323 -10.493 1.978 1.00 0.00 C ATOM 0 HA PRO A 64 12.522 -9.612 4.241 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.594 -11.077 2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.528 -11.822 3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 64 11.902 -10.831 0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.341 -12.283 1.365 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.781 -10.053 1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.630 -11.160 2.491 1.00 0.00 H new ATOM 622 N LYS A 65 13.964 -7.910 3.291 1.00 0.00 N ATOM 623 CA LYS A 65 14.851 -6.833 2.738 1.00 0.00 C ATOM 624 C LYS A 65 14.007 -5.761 2.041 1.00 0.00 C ATOM 625 O LYS A 65 14.009 -5.639 0.829 1.00 0.00 O ATOM 626 CB LYS A 65 15.792 -7.530 1.739 1.00 0.00 C ATOM 627 CG LYS A 65 16.200 -8.916 2.262 1.00 0.00 C ATOM 628 CD LYS A 65 17.718 -8.979 2.434 1.00 0.00 C ATOM 629 CE LYS A 65 18.286 -10.116 1.576 1.00 0.00 C ATOM 630 NZ LYS A 65 18.338 -9.572 0.186 1.00 0.00 N ATOM 0 H LYS A 65 14.058 -8.065 4.295 1.00 0.00 H new ATOM 0 HA LYS A 65 15.417 -6.331 3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 65 15.297 -7.630 0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.680 -6.919 1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.708 -9.114 3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.871 -9.688 1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 65 18.167 -8.030 2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.969 -9.141 3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 65 19.277 -10.411 1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.653 -11.002 1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.890 -10.246 -0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.831 -8.665 0.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 19.329 -9.426 -0.093 1.00 0.00 H new ATOM 644 N ALA A 66 13.280 -4.985 2.805 1.00 0.00 N ATOM 645 CA ALA A 66 12.423 -3.917 2.204 1.00 0.00 C ATOM 646 C ALA A 66 13.146 -2.561 2.197 1.00 0.00 C ATOM 647 O ALA A 66 12.749 -1.651 1.496 1.00 0.00 O ATOM 648 CB ALA A 66 11.183 -3.856 3.097 1.00 0.00 C ATOM 0 H ALA A 66 13.243 -5.045 3.823 1.00 0.00 H new ATOM 0 HA ALA A 66 12.177 -4.137 1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.501 -3.093 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.682 -4.824 3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.480 -3.607 4.116 1.00 0.00 H new ATOM 654 N ASP A 67 14.198 -2.413 2.969 1.00 0.00 N ATOM 655 CA ASP A 67 14.931 -1.110 3.000 1.00 0.00 C ATOM 656 C ASP A 67 16.449 -1.338 2.934 1.00 0.00 C ATOM 657 O ASP A 67 17.214 -0.657 3.589 1.00 0.00 O ATOM 658 CB ASP A 67 14.537 -0.471 4.336 1.00 0.00 C ATOM 659 CG ASP A 67 13.092 0.038 4.268 1.00 0.00 C ATOM 660 OD1 ASP A 67 12.904 1.174 3.866 1.00 0.00 O ATOM 661 OD2 ASP A 67 12.201 -0.717 4.624 1.00 0.00 O ATOM 0 H ASP A 67 14.579 -3.138 3.577 1.00 0.00 H new ATOM 0 HA ASP A 67 14.678 -0.476 2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.637 -1.200 5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.211 0.354 4.567 1.00 0.00 H new ATOM 666 N GLU A 68 16.891 -2.288 2.147 1.00 0.00 N ATOM 667 CA GLU A 68 18.360 -2.554 2.043 1.00 0.00 C ATOM 668 C GLU A 68 18.785 -2.762 0.579 1.00 0.00 C ATOM 669 O GLU A 68 19.804 -3.367 0.303 1.00 0.00 O ATOM 670 CB GLU A 68 18.586 -3.832 2.858 1.00 0.00 C ATOM 671 CG GLU A 68 19.998 -3.822 3.452 1.00 0.00 C ATOM 672 CD GLU A 68 19.978 -3.132 4.819 1.00 0.00 C ATOM 673 OE1 GLU A 68 20.157 -1.926 4.853 1.00 0.00 O ATOM 674 OE2 GLU A 68 19.787 -3.823 5.806 1.00 0.00 O ATOM 0 H GLU A 68 16.300 -2.890 1.573 1.00 0.00 H new ATOM 0 HA GLU A 68 18.951 -1.716 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.846 -3.902 3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.454 -4.708 2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.367 -4.842 3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.682 -3.302 2.781 1.00 0.00 H new ATOM 681 N ASP A 69 18.023 -2.256 -0.360 1.00 0.00 N ATOM 682 CA ASP A 69 18.387 -2.418 -1.801 1.00 0.00 C ATOM 683 C ASP A 69 17.933 -1.187 -2.596 1.00 0.00 C ATOM 684 O ASP A 69 16.837 -1.159 -3.121 1.00 0.00 O ATOM 685 CB ASP A 69 17.630 -3.669 -2.263 1.00 0.00 C ATOM 686 CG ASP A 69 18.473 -4.917 -1.990 1.00 0.00 C ATOM 687 OD1 ASP A 69 19.362 -5.194 -2.777 1.00 0.00 O ATOM 688 OD2 ASP A 69 18.213 -5.575 -0.996 1.00 0.00 O ATOM 0 H ASP A 69 17.162 -1.736 -0.189 1.00 0.00 H new ATOM 0 HA ASP A 69 19.462 -2.517 -1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 69 16.676 -3.742 -1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.405 -3.597 -3.327 1.00 0.00 H new ATOM 693 N PRO A 70 18.788 -0.194 -2.648 1.00 0.00 N ATOM 694 CA PRO A 70 18.454 1.062 -3.375 1.00 0.00 C ATOM 695 C PRO A 70 18.422 0.840 -4.898 1.00 0.00 C ATOM 696 O PRO A 70 17.368 0.879 -5.507 1.00 0.00 O ATOM 697 CB PRO A 70 19.567 2.022 -2.961 1.00 0.00 C ATOM 698 CG PRO A 70 20.714 1.144 -2.562 1.00 0.00 C ATOM 699 CD PRO A 70 20.127 -0.147 -2.049 1.00 0.00 C ATOM 0 HA PRO A 70 17.463 1.444 -3.130 1.00 0.00 H new ATOM 0 HB2 PRO A 70 19.844 2.682 -3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 70 19.251 2.658 -2.134 1.00 0.00 H new ATOM 0 HG2 PRO A 70 21.370 0.958 -3.412 1.00 0.00 H new ATOM 0 HG3 PRO A 70 21.318 1.625 -1.793 1.00 0.00 H new ATOM 0 HD2 PRO A 70 20.728 -1.005 -2.349 1.00 0.00 H new ATOM 0 HD3 PRO A 70 20.077 -0.157 -0.960 1.00 0.00 H new ATOM 707 N GLY A 71 19.554 0.604 -5.517 1.00 0.00 N ATOM 708 CA GLY A 71 19.573 0.377 -6.996 1.00 0.00 C ATOM 709 C GLY A 71 18.848 -0.932 -7.326 1.00 0.00 C ATOM 710 O GLY A 71 18.264 -1.080 -8.383 1.00 0.00 O ATOM 0 H GLY A 71 20.465 0.559 -5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 71 19.091 1.210 -7.508 1.00 0.00 H new ATOM 0 HA3 GLY A 71 20.602 0.335 -7.354 1.00 0.00 H new ATOM 714 N THR A 72 18.883 -1.881 -6.426 1.00 0.00 N ATOM 715 CA THR A 72 18.202 -3.188 -6.669 1.00 0.00 C ATOM 716 C THR A 72 16.691 -3.057 -6.419 1.00 0.00 C ATOM 717 O THR A 72 16.236 -2.074 -5.864 1.00 0.00 O ATOM 718 CB THR A 72 18.832 -4.171 -5.667 1.00 0.00 C ATOM 719 OG1 THR A 72 19.670 -3.469 -4.755 1.00 0.00 O ATOM 720 CG2 THR A 72 19.664 -5.210 -6.417 1.00 0.00 C ATOM 0 H THR A 72 19.358 -1.806 -5.526 1.00 0.00 H new ATOM 0 HA THR A 72 18.326 -3.526 -7.698 1.00 0.00 H new ATOM 0 HB THR A 72 18.035 -4.669 -5.115 1.00 0.00 H new ATOM 0 HG1 THR A 72 19.769 -3.992 -3.932 1.00 0.00 H new ATOM 0 HG21 THR A 72 20.108 -5.904 -5.704 1.00 0.00 H new ATOM 0 HG22 THR A 72 19.024 -5.759 -7.107 1.00 0.00 H new ATOM 0 HG23 THR A 72 20.454 -4.709 -6.976 1.00 0.00 H new ATOM 728 N PRO A 73 15.958 -4.058 -6.849 1.00 0.00 N ATOM 729 CA PRO A 73 14.481 -4.050 -6.674 1.00 0.00 C ATOM 730 C PRO A 73 14.101 -4.252 -5.200 1.00 0.00 C ATOM 731 O PRO A 73 14.796 -4.914 -4.452 1.00 0.00 O ATOM 732 CB PRO A 73 14.014 -5.229 -7.525 1.00 0.00 C ATOM 733 CG PRO A 73 15.195 -6.142 -7.605 1.00 0.00 C ATOM 734 CD PRO A 73 16.425 -5.274 -7.528 1.00 0.00 C ATOM 0 HA PRO A 73 14.024 -3.106 -6.970 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.159 -5.729 -7.071 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.701 -4.901 -8.516 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.181 -6.865 -6.789 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.181 -6.711 -8.535 1.00 0.00 H new ATOM 0 HD2 PRO A 73 17.224 -5.762 -6.969 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.820 -5.051 -8.519 1.00 0.00 H new ATOM 742 N LYS A 74 12.993 -3.691 -4.792 1.00 0.00 N ATOM 743 CA LYS A 74 12.530 -3.838 -3.382 1.00 0.00 C ATOM 744 C LYS A 74 11.203 -4.599 -3.358 1.00 0.00 C ATOM 745 O LYS A 74 10.244 -4.185 -3.983 1.00 0.00 O ATOM 746 CB LYS A 74 12.337 -2.404 -2.875 1.00 0.00 C ATOM 747 CG LYS A 74 12.980 -2.255 -1.493 1.00 0.00 C ATOM 748 CD LYS A 74 14.410 -1.731 -1.648 1.00 0.00 C ATOM 749 CE LYS A 74 14.686 -0.659 -0.586 1.00 0.00 C ATOM 750 NZ LYS A 74 15.461 0.410 -1.286 1.00 0.00 N ATOM 0 H LYS A 74 12.382 -3.130 -5.385 1.00 0.00 H new ATOM 0 HA LYS A 74 13.235 -4.392 -2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.785 -1.697 -3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.274 -2.167 -2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.395 -1.569 -0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.987 -3.216 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.121 -2.551 -1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.548 -1.313 -2.645 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.756 -0.265 -0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.253 -1.071 0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.281 0.680 -0.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.789 0.055 -2.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.852 1.241 -1.432 1.00 0.00 H new ATOM 764 N PRO A 75 11.185 -5.693 -2.639 1.00 0.00 N ATOM 765 CA PRO A 75 9.955 -6.514 -2.542 1.00 0.00 C ATOM 766 C PRO A 75 8.887 -5.769 -1.736 1.00 0.00 C ATOM 767 O PRO A 75 9.128 -5.322 -0.632 1.00 0.00 O ATOM 768 CB PRO A 75 10.424 -7.781 -1.828 1.00 0.00 C ATOM 769 CG PRO A 75 11.636 -7.363 -1.063 1.00 0.00 C ATOM 770 CD PRO A 75 12.287 -6.262 -1.857 1.00 0.00 C ATOM 0 HA PRO A 75 9.498 -6.734 -3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.652 -8.169 -1.164 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.659 -8.572 -2.540 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.364 -7.014 -0.067 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.319 -8.202 -0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.742 -5.515 -1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.077 -6.647 -2.501 1.00 0.00 H new ATOM 778 N VAL A 76 7.717 -5.624 -2.300 1.00 0.00 N ATOM 779 CA VAL A 76 6.612 -4.903 -1.595 1.00 0.00 C ATOM 780 C VAL A 76 5.382 -5.811 -1.488 1.00 0.00 C ATOM 781 O VAL A 76 5.084 -6.573 -2.389 1.00 0.00 O ATOM 782 CB VAL A 76 6.288 -3.675 -2.464 1.00 0.00 C ATOM 783 CG1 VAL A 76 5.640 -2.594 -1.597 1.00 0.00 C ATOM 784 CG2 VAL A 76 7.567 -3.108 -3.094 1.00 0.00 C ATOM 0 H VAL A 76 7.476 -5.976 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 76 6.899 -4.614 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 76 5.605 -3.981 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.410 -1.724 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.720 -2.982 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.327 -2.305 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.318 -2.240 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.260 -2.811 -2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.033 -3.870 -3.719 1.00 0.00 H new ATOM 794 N SER A 77 4.664 -5.735 -0.396 1.00 0.00 N ATOM 795 CA SER A 77 3.452 -6.595 -0.232 1.00 0.00 C ATOM 796 C SER A 77 2.422 -5.905 0.669 1.00 0.00 C ATOM 797 O SER A 77 2.754 -5.385 1.718 1.00 0.00 O ATOM 798 CB SER A 77 3.964 -7.880 0.425 1.00 0.00 C ATOM 799 OG SER A 77 4.436 -8.772 -0.579 1.00 0.00 O ATOM 0 H SER A 77 4.864 -5.115 0.389 1.00 0.00 H new ATOM 0 HA SER A 77 2.956 -6.790 -1.183 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.766 -7.648 1.126 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.165 -8.351 0.998 1.00 0.00 H new ATOM 0 HG SER A 77 4.616 -8.272 -1.402 1.00 0.00 H new ATOM 805 N PHE A 78 1.168 -5.907 0.271 1.00 0.00 N ATOM 806 CA PHE A 78 0.110 -5.258 1.112 1.00 0.00 C ATOM 807 C PHE A 78 -1.289 -5.691 0.665 1.00 0.00 C ATOM 808 O PHE A 78 -1.487 -6.169 -0.438 1.00 0.00 O ATOM 809 CB PHE A 78 0.271 -3.742 0.925 1.00 0.00 C ATOM 810 CG PHE A 78 0.388 -3.381 -0.541 1.00 0.00 C ATOM 811 CD1 PHE A 78 -0.759 -3.318 -1.341 1.00 0.00 C ATOM 812 CD2 PHE A 78 1.641 -3.088 -1.092 1.00 0.00 C ATOM 813 CE1 PHE A 78 -0.654 -2.965 -2.690 1.00 0.00 C ATOM 814 CE2 PHE A 78 1.746 -2.738 -2.445 1.00 0.00 C ATOM 815 CZ PHE A 78 0.598 -2.676 -3.243 1.00 0.00 C ATOM 0 H PHE A 78 0.834 -6.328 -0.596 1.00 0.00 H new ATOM 0 HA PHE A 78 0.221 -5.549 2.157 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.584 -3.226 1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.157 -3.399 1.459 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.726 -3.542 -0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.526 -3.132 -0.475 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.540 -2.915 -3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.713 -2.516 -2.872 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.679 -2.405 -4.285 1.00 0.00 H new ATOM 825 N THR A 79 -2.259 -5.504 1.517 1.00 0.00 N ATOM 826 CA THR A 79 -3.657 -5.874 1.163 1.00 0.00 C ATOM 827 C THR A 79 -4.469 -4.608 0.905 1.00 0.00 C ATOM 828 O THR A 79 -4.390 -3.646 1.644 1.00 0.00 O ATOM 829 CB THR A 79 -4.215 -6.638 2.370 1.00 0.00 C ATOM 830 OG1 THR A 79 -3.961 -5.908 3.563 1.00 0.00 O ATOM 831 CG2 THR A 79 -3.551 -8.014 2.458 1.00 0.00 C ATOM 0 H THR A 79 -2.141 -5.108 2.450 1.00 0.00 H new ATOM 0 HA THR A 79 -3.702 -6.485 0.261 1.00 0.00 H new ATOM 0 HB THR A 79 -5.291 -6.762 2.249 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.694 -5.278 3.723 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.949 -8.556 3.316 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.757 -8.576 1.547 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.474 -7.892 2.573 1.00 0.00 H new ATOM 839 N VAL A 80 -5.245 -4.604 -0.142 1.00 0.00 N ATOM 840 CA VAL A 80 -6.071 -3.400 -0.462 1.00 0.00 C ATOM 841 C VAL A 80 -7.559 -3.758 -0.394 1.00 0.00 C ATOM 842 O VAL A 80 -7.947 -4.882 -0.649 1.00 0.00 O ATOM 843 CB VAL A 80 -5.655 -2.965 -1.877 1.00 0.00 C ATOM 844 CG1 VAL A 80 -4.183 -2.539 -1.866 1.00 0.00 C ATOM 845 CG2 VAL A 80 -5.840 -4.122 -2.868 1.00 0.00 C ATOM 0 H VAL A 80 -5.345 -5.383 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.912 -2.588 0.248 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.282 -2.129 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.886 -2.230 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.050 -1.706 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.564 -3.377 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.541 -3.798 -3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.223 -4.966 -2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.887 -4.424 -2.883 1.00 0.00 H new ATOM 855 N LYS A 81 -8.389 -2.814 -0.034 1.00 0.00 N ATOM 856 CA LYS A 81 -9.854 -3.092 0.076 1.00 0.00 C ATOM 857 C LYS A 81 -10.657 -2.086 -0.764 1.00 0.00 C ATOM 858 O LYS A 81 -10.212 -0.984 -1.030 1.00 0.00 O ATOM 859 CB LYS A 81 -10.156 -2.952 1.581 1.00 0.00 C ATOM 860 CG LYS A 81 -11.640 -2.645 1.817 1.00 0.00 C ATOM 861 CD LYS A 81 -12.190 -3.578 2.900 1.00 0.00 C ATOM 862 CE LYS A 81 -13.062 -4.656 2.248 1.00 0.00 C ATOM 863 NZ LYS A 81 -13.266 -5.693 3.300 1.00 0.00 N ATOM 0 H LYS A 81 -8.115 -1.857 0.190 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.130 -4.077 -0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.885 -3.873 2.097 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.544 -2.156 2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.763 -1.606 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.201 -2.775 0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.369 -4.041 3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.775 -3.009 3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.014 -4.242 1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.573 -5.078 1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.227 -6.638 2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.519 -5.610 4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.194 -5.555 3.748 1.00 0.00 H new ATOM 877 N GLU A 82 -11.836 -2.469 -1.185 1.00 0.00 N ATOM 878 CA GLU A 82 -12.688 -1.554 -2.013 1.00 0.00 C ATOM 879 C GLU A 82 -13.099 -0.308 -1.214 1.00 0.00 C ATOM 880 O GLU A 82 -13.701 -0.404 -0.161 1.00 0.00 O ATOM 881 CB GLU A 82 -13.929 -2.382 -2.365 1.00 0.00 C ATOM 882 CG GLU A 82 -14.338 -2.114 -3.814 1.00 0.00 C ATOM 883 CD GLU A 82 -15.514 -3.018 -4.187 1.00 0.00 C ATOM 884 OE1 GLU A 82 -15.331 -4.226 -4.188 1.00 0.00 O ATOM 885 OE2 GLU A 82 -16.578 -2.485 -4.460 1.00 0.00 O ATOM 0 H GLU A 82 -12.249 -3.381 -0.991 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.155 -1.199 -2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.721 -3.443 -2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.749 -2.128 -1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.617 -1.067 -3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.496 -2.300 -4.481 1.00 0.00 H new ATOM 892 N THR A 83 -12.790 0.862 -1.718 1.00 0.00 N ATOM 893 CA THR A 83 -13.176 2.121 -1.000 1.00 0.00 C ATOM 894 C THR A 83 -14.555 2.592 -1.472 1.00 0.00 C ATOM 895 O THR A 83 -15.068 2.132 -2.475 1.00 0.00 O ATOM 896 CB THR A 83 -12.111 3.159 -1.373 1.00 0.00 C ATOM 897 OG1 THR A 83 -11.948 3.199 -2.787 1.00 0.00 O ATOM 898 CG2 THR A 83 -10.781 2.794 -0.716 1.00 0.00 C ATOM 0 H THR A 83 -12.288 1.001 -2.595 1.00 0.00 H new ATOM 0 HA THR A 83 -13.230 1.969 0.078 1.00 0.00 H new ATOM 0 HB THR A 83 -12.432 4.139 -1.020 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.763 3.554 -3.200 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.027 3.535 -0.984 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.903 2.776 0.367 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.462 1.811 -1.062 1.00 0.00 H new ATOM 906 N VAL A 84 -15.152 3.516 -0.759 1.00 0.00 N ATOM 907 CA VAL A 84 -16.499 4.031 -1.168 1.00 0.00 C ATOM 908 C VAL A 84 -16.397 4.824 -2.484 1.00 0.00 C ATOM 909 O VAL A 84 -17.376 4.995 -3.186 1.00 0.00 O ATOM 910 CB VAL A 84 -16.975 4.944 -0.023 1.00 0.00 C ATOM 911 CG1 VAL A 84 -17.040 4.152 1.287 1.00 0.00 C ATOM 912 CG2 VAL A 84 -16.012 6.126 0.145 1.00 0.00 C ATOM 0 H VAL A 84 -14.767 3.936 0.087 1.00 0.00 H new ATOM 0 HA VAL A 84 -17.200 3.214 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.968 5.321 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.378 4.806 2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -17.738 3.323 1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.050 3.763 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -16.358 6.765 0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.015 5.753 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.978 6.702 -0.780 1.00 0.00 H new ATOM 922 N CYS A 85 -15.223 5.307 -2.822 1.00 0.00 N ATOM 923 CA CYS A 85 -15.065 6.086 -4.087 1.00 0.00 C ATOM 924 C CYS A 85 -14.672 5.162 -5.247 1.00 0.00 C ATOM 925 O CYS A 85 -13.859 4.270 -5.084 1.00 0.00 O ATOM 926 CB CYS A 85 -13.938 7.079 -3.807 1.00 0.00 C ATOM 927 SG CYS A 85 -14.581 8.467 -2.843 1.00 0.00 S ATOM 0 H CYS A 85 -14.370 5.194 -2.275 1.00 0.00 H new ATOM 0 HA CYS A 85 -15.993 6.581 -4.373 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -13.132 6.587 -3.262 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -13.515 7.439 -4.745 1.00 0.00 H new ATOM 932 N PRO A 86 -15.260 5.421 -6.392 1.00 0.00 N ATOM 933 CA PRO A 86 -14.962 4.616 -7.602 1.00 0.00 C ATOM 934 C PRO A 86 -13.603 5.020 -8.189 1.00 0.00 C ATOM 935 O PRO A 86 -12.890 5.831 -7.627 1.00 0.00 O ATOM 936 CB PRO A 86 -16.093 4.977 -8.561 1.00 0.00 C ATOM 937 CG PRO A 86 -16.549 6.336 -8.134 1.00 0.00 C ATOM 938 CD PRO A 86 -16.252 6.470 -6.662 1.00 0.00 C ATOM 0 HA PRO A 86 -14.904 3.546 -7.402 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -15.746 4.984 -9.594 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -16.905 4.253 -8.503 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -16.032 7.110 -8.702 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -17.615 6.460 -8.323 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -15.859 7.459 -6.424 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -17.151 6.331 -6.061 1.00 0.00 H new ATOM 946 N ARG A 87 -13.244 4.466 -9.319 1.00 0.00 N ATOM 947 CA ARG A 87 -11.936 4.817 -9.947 1.00 0.00 C ATOM 948 C ARG A 87 -12.148 5.274 -11.401 1.00 0.00 C ATOM 949 O ARG A 87 -12.922 4.670 -12.119 1.00 0.00 O ATOM 950 CB ARG A 87 -11.128 3.515 -9.903 1.00 0.00 C ATOM 951 CG ARG A 87 -9.898 3.620 -10.815 1.00 0.00 C ATOM 952 CD ARG A 87 -9.609 2.254 -11.441 1.00 0.00 C ATOM 953 NE ARG A 87 -8.937 2.557 -12.740 1.00 0.00 N ATOM 954 CZ ARG A 87 -9.637 2.637 -13.843 1.00 0.00 C ATOM 955 NH1 ARG A 87 -10.449 1.669 -14.177 1.00 0.00 N ATOM 956 NH2 ARG A 87 -9.527 3.691 -14.610 1.00 0.00 N ATOM 0 H ARG A 87 -13.802 3.785 -9.834 1.00 0.00 H new ATOM 0 HA ARG A 87 -11.431 5.634 -9.433 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.814 3.308 -8.880 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.753 2.680 -10.219 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.073 4.360 -11.596 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.035 3.959 -10.242 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.968 1.652 -10.796 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.528 1.688 -11.595 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.928 2.702 -12.768 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.538 0.849 -13.578 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.993 1.734 -15.037 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.896 4.449 -14.348 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.072 3.755 -15.470 1.00 0.00 H new ATOM 970 N PRO A 88 -11.443 6.312 -11.808 1.00 0.00 N ATOM 971 CA PRO A 88 -10.501 7.042 -10.922 1.00 0.00 C ATOM 972 C PRO A 88 -11.216 8.198 -10.201 1.00 0.00 C ATOM 973 O PRO A 88 -12.091 8.838 -10.757 1.00 0.00 O ATOM 974 CB PRO A 88 -9.472 7.595 -11.904 1.00 0.00 C ATOM 975 CG PRO A 88 -10.182 7.707 -13.224 1.00 0.00 C ATOM 976 CD PRO A 88 -11.453 6.889 -13.152 1.00 0.00 C ATOM 0 HA PRO A 88 -10.072 6.413 -10.142 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -9.101 8.566 -11.576 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.609 6.933 -11.979 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.413 8.749 -13.443 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.543 7.346 -14.030 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.334 7.511 -13.310 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.469 6.113 -13.917 1.00 0.00 H new ATOM 984 N THR A 89 -10.837 8.485 -8.979 1.00 0.00 N ATOM 985 CA THR A 89 -11.479 9.615 -8.237 1.00 0.00 C ATOM 986 C THR A 89 -10.621 10.882 -8.399 1.00 0.00 C ATOM 987 O THR A 89 -9.460 10.807 -8.762 1.00 0.00 O ATOM 988 CB THR A 89 -11.526 9.147 -6.769 1.00 0.00 C ATOM 989 OG1 THR A 89 -12.670 8.327 -6.579 1.00 0.00 O ATOM 990 CG2 THR A 89 -11.607 10.343 -5.816 1.00 0.00 C ATOM 0 H THR A 89 -10.112 7.986 -8.464 1.00 0.00 H new ATOM 0 HA THR A 89 -12.476 9.860 -8.603 1.00 0.00 H new ATOM 0 HB THR A 89 -10.615 8.589 -6.553 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.605 7.537 -7.155 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.639 9.986 -4.786 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.731 10.977 -5.953 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.508 10.918 -6.029 1.00 0.00 H new ATOM 998 N ARG A 90 -11.178 12.042 -8.134 1.00 0.00 N ATOM 999 CA ARG A 90 -10.382 13.306 -8.273 1.00 0.00 C ATOM 1000 C ARG A 90 -9.104 13.207 -7.431 1.00 0.00 C ATOM 1001 O ARG A 90 -8.012 13.423 -7.920 1.00 0.00 O ATOM 1002 CB ARG A 90 -11.294 14.424 -7.754 1.00 0.00 C ATOM 1003 CG ARG A 90 -10.648 15.789 -8.017 1.00 0.00 C ATOM 1004 CD ARG A 90 -10.495 16.011 -9.527 1.00 0.00 C ATOM 1005 NE ARG A 90 -9.044 15.807 -9.804 1.00 0.00 N ATOM 1006 CZ ARG A 90 -8.389 16.672 -10.530 1.00 0.00 C ATOM 1007 NH1 ARG A 90 -7.814 17.698 -9.959 1.00 0.00 N ATOM 1008 NH2 ARG A 90 -8.311 16.509 -11.824 1.00 0.00 N ATOM 0 H ARG A 90 -12.143 12.168 -7.829 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.075 13.493 -9.302 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.265 14.371 -8.246 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.470 14.295 -6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.260 16.580 -7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.673 15.839 -7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.107 15.309 -10.093 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.814 17.013 -9.813 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.563 14.991 -9.426 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.878 17.821 -8.948 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.302 18.375 -10.524 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.761 15.707 -12.265 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.800 17.184 -12.393 1.00 0.00 H new ATOM 1022 N GLN A 91 -9.237 12.861 -6.175 1.00 0.00 N ATOM 1023 CA GLN A 91 -8.041 12.717 -5.295 1.00 0.00 C ATOM 1024 C GLN A 91 -7.672 11.225 -5.184 1.00 0.00 C ATOM 1025 O GLN A 91 -8.303 10.392 -5.811 1.00 0.00 O ATOM 1026 CB GLN A 91 -8.479 13.288 -3.940 1.00 0.00 C ATOM 1027 CG GLN A 91 -7.741 14.605 -3.675 1.00 0.00 C ATOM 1028 CD GLN A 91 -8.594 15.779 -4.161 1.00 0.00 C ATOM 1029 OE1 GLN A 91 -9.434 16.276 -3.436 1.00 0.00 O ATOM 1030 NE2 GLN A 91 -8.414 16.248 -5.365 1.00 0.00 N ATOM 0 H GLN A 91 -10.130 12.671 -5.720 1.00 0.00 H new ATOM 0 HA GLN A 91 -7.161 13.236 -5.674 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.556 13.456 -3.935 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -8.264 12.573 -3.146 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.534 14.709 -2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.779 14.604 -4.188 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -7.710 15.832 -5.974 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -8.978 17.031 -5.697 1.00 0.00 H new ATOM 1039 N PRO A 92 -6.664 10.926 -4.394 1.00 0.00 N ATOM 1040 CA PRO A 92 -6.230 9.511 -4.219 1.00 0.00 C ATOM 1041 C PRO A 92 -7.307 8.696 -3.480 1.00 0.00 C ATOM 1042 O PRO A 92 -8.224 9.256 -2.906 1.00 0.00 O ATOM 1043 CB PRO A 92 -4.952 9.629 -3.387 1.00 0.00 C ATOM 1044 CG PRO A 92 -5.081 10.936 -2.675 1.00 0.00 C ATOM 1045 CD PRO A 92 -5.840 11.850 -3.599 1.00 0.00 C ATOM 0 HA PRO A 92 -6.068 8.993 -5.164 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.860 8.802 -2.683 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.065 9.609 -4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.610 10.813 -1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.100 11.349 -2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -6.454 12.561 -3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.168 12.432 -4.229 1.00 0.00 H new ATOM 1053 N PRO A 93 -7.158 7.392 -3.521 1.00 0.00 N ATOM 1054 CA PRO A 93 -8.129 6.486 -2.846 1.00 0.00 C ATOM 1055 C PRO A 93 -8.041 6.636 -1.319 1.00 0.00 C ATOM 1056 O PRO A 93 -9.010 6.423 -0.614 1.00 0.00 O ATOM 1057 CB PRO A 93 -7.696 5.094 -3.304 1.00 0.00 C ATOM 1058 CG PRO A 93 -6.253 5.240 -3.661 1.00 0.00 C ATOM 1059 CD PRO A 93 -6.083 6.640 -4.188 1.00 0.00 C ATOM 0 HA PRO A 93 -9.168 6.701 -3.098 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.835 4.357 -2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.283 4.759 -4.159 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.619 5.074 -2.790 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.963 4.505 -4.412 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.100 7.044 -3.945 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.182 6.675 -5.273 1.00 0.00 H new ATOM 1067 N GLU A 94 -6.892 7.019 -0.808 1.00 0.00 N ATOM 1068 CA GLU A 94 -6.743 7.207 0.670 1.00 0.00 C ATOM 1069 C GLU A 94 -7.644 8.357 1.138 1.00 0.00 C ATOM 1070 O GLU A 94 -8.221 8.310 2.209 1.00 0.00 O ATOM 1071 CB GLU A 94 -5.269 7.569 0.892 1.00 0.00 C ATOM 1072 CG GLU A 94 -4.367 6.458 0.344 1.00 0.00 C ATOM 1073 CD GLU A 94 -3.187 6.239 1.292 1.00 0.00 C ATOM 1074 OE1 GLU A 94 -3.382 5.594 2.311 1.00 0.00 O ATOM 1075 OE2 GLU A 94 -2.109 6.719 0.985 1.00 0.00 O ATOM 0 H GLU A 94 -6.051 7.209 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.027 6.315 1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.039 8.512 0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.078 7.712 1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.936 5.534 0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.004 6.727 -0.648 1.00 0.00 H new ATOM 1082 N LEU A 95 -7.763 9.385 0.330 1.00 0.00 N ATOM 1083 CA LEU A 95 -8.621 10.558 0.688 1.00 0.00 C ATOM 1084 C LEU A 95 -10.077 10.129 0.919 1.00 0.00 C ATOM 1085 O LEU A 95 -10.796 10.750 1.679 1.00 0.00 O ATOM 1086 CB LEU A 95 -8.525 11.488 -0.531 1.00 0.00 C ATOM 1087 CG LEU A 95 -9.473 12.682 -0.364 1.00 0.00 C ATOM 1088 CD1 LEU A 95 -8.682 13.987 -0.478 1.00 0.00 C ATOM 1089 CD2 LEU A 95 -10.544 12.636 -1.460 1.00 0.00 C ATOM 0 H LEU A 95 -7.296 9.461 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.294 11.037 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.501 11.842 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.778 10.938 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.949 12.634 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -9.358 14.834 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.919 14.019 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.204 14.039 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -11.220 13.483 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.066 12.684 -2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.109 11.708 -1.378 1.00 0.00 H new ATOM 1101 N CYS A 96 -10.520 9.087 0.259 1.00 0.00 N ATOM 1102 CA CYS A 96 -11.934 8.636 0.428 1.00 0.00 C ATOM 1103 C CYS A 96 -12.071 7.630 1.583 1.00 0.00 C ATOM 1104 O CYS A 96 -11.107 7.282 2.240 1.00 0.00 O ATOM 1105 CB CYS A 96 -12.300 7.996 -0.910 1.00 0.00 C ATOM 1106 SG CYS A 96 -12.927 9.281 -2.022 1.00 0.00 S ATOM 0 H CYS A 96 -9.963 8.530 -0.389 1.00 0.00 H new ATOM 0 HA CYS A 96 -12.597 9.463 0.683 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -11.427 7.512 -1.348 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -13.054 7.223 -0.764 1.00 0.00 H new ATOM 1111 N ASP A 97 -13.278 7.182 1.840 1.00 0.00 N ATOM 1112 CA ASP A 97 -13.517 6.218 2.961 1.00 0.00 C ATOM 1113 C ASP A 97 -13.158 4.778 2.558 1.00 0.00 C ATOM 1114 O ASP A 97 -12.472 4.541 1.579 1.00 0.00 O ATOM 1115 CB ASP A 97 -15.018 6.329 3.259 1.00 0.00 C ATOM 1116 CG ASP A 97 -15.259 6.177 4.763 1.00 0.00 C ATOM 1117 OD1 ASP A 97 -15.428 5.052 5.206 1.00 0.00 O ATOM 1118 OD2 ASP A 97 -15.269 7.187 5.445 1.00 0.00 O ATOM 0 H ASP A 97 -14.113 7.445 1.317 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.897 6.452 3.826 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.396 7.292 2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.565 5.559 2.714 1.00 0.00 H new ATOM 1123 N PHE A 98 -13.628 3.821 3.321 1.00 0.00 N ATOM 1124 CA PHE A 98 -13.346 2.386 3.035 1.00 0.00 C ATOM 1125 C PHE A 98 -14.638 1.568 3.154 1.00 0.00 C ATOM 1126 O PHE A 98 -15.433 1.782 4.050 1.00 0.00 O ATOM 1127 CB PHE A 98 -12.359 1.955 4.127 1.00 0.00 C ATOM 1128 CG PHE A 98 -11.038 1.537 3.521 1.00 0.00 C ATOM 1129 CD1 PHE A 98 -11.003 0.754 2.360 1.00 0.00 C ATOM 1130 CD2 PHE A 98 -9.841 1.928 4.135 1.00 0.00 C ATOM 1131 CE1 PHE A 98 -9.774 0.364 1.816 1.00 0.00 C ATOM 1132 CE2 PHE A 98 -8.614 1.536 3.590 1.00 0.00 C ATOM 1133 CZ PHE A 98 -8.581 0.754 2.432 1.00 0.00 C ATOM 0 H PHE A 98 -14.206 3.981 4.146 1.00 0.00 H new ATOM 0 HA PHE A 98 -12.949 2.234 2.031 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -12.200 2.777 4.825 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -12.780 1.128 4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -11.924 0.451 1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.866 2.532 5.030 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -9.747 -0.238 0.920 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.692 1.838 4.064 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.633 0.451 2.013 1.00 0.00 H new ATOM 1143 N LYS A 99 -14.847 0.621 2.275 1.00 0.00 N ATOM 1144 CA LYS A 99 -16.081 -0.220 2.365 1.00 0.00 C ATOM 1145 C LYS A 99 -15.729 -1.569 2.984 1.00 0.00 C ATOM 1146 O LYS A 99 -15.142 -2.413 2.336 1.00 0.00 O ATOM 1147 CB LYS A 99 -16.570 -0.423 0.930 1.00 0.00 C ATOM 1148 CG LYS A 99 -16.890 0.931 0.292 1.00 0.00 C ATOM 1149 CD LYS A 99 -17.888 0.740 -0.855 1.00 0.00 C ATOM 1150 CE LYS A 99 -17.164 0.172 -2.081 1.00 0.00 C ATOM 1151 NZ LYS A 99 -17.853 -1.117 -2.376 1.00 0.00 N ATOM 0 H LYS A 99 -14.221 0.394 1.503 1.00 0.00 H new ATOM 0 HA LYS A 99 -16.846 0.253 2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.807 -0.939 0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -17.457 -1.056 0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -17.306 1.607 1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -15.976 1.393 -0.082 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -18.686 0.065 -0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -18.355 1.692 -1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -17.227 0.855 -2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -16.105 0.015 -1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -17.278 -1.674 -3.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -17.980 -1.653 -1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -18.782 -0.924 -2.801 1.00 0.00 H new ATOM 1165 N GLU A 100 -16.075 -1.784 4.226 1.00 0.00 N ATOM 1166 CA GLU A 100 -15.745 -3.093 4.870 1.00 0.00 C ATOM 1167 C GLU A 100 -16.426 -4.250 4.122 1.00 0.00 C ATOM 1168 O GLU A 100 -15.959 -5.373 4.156 1.00 0.00 O ATOM 1169 CB GLU A 100 -16.262 -2.990 6.309 1.00 0.00 C ATOM 1170 CG GLU A 100 -15.362 -3.817 7.235 1.00 0.00 C ATOM 1171 CD GLU A 100 -14.090 -3.027 7.564 1.00 0.00 C ATOM 1172 OE1 GLU A 100 -13.215 -2.966 6.712 1.00 0.00 O ATOM 1173 OE2 GLU A 100 -14.012 -2.499 8.662 1.00 0.00 O ATOM 0 H GLU A 100 -16.568 -1.117 4.820 1.00 0.00 H new ATOM 0 HA GLU A 100 -14.674 -3.296 4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -16.272 -1.948 6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.289 -3.351 6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.896 -4.062 8.153 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -15.101 -4.761 6.756 1.00 0.00 H new ATOM 1180 N ASN A 101 -17.508 -3.981 3.431 1.00 0.00 N ATOM 1181 CA ASN A 101 -18.200 -5.063 2.661 1.00 0.00 C ATOM 1182 C ASN A 101 -17.495 -5.286 1.308 1.00 0.00 C ATOM 1183 O ASN A 101 -17.814 -6.208 0.584 1.00 0.00 O ATOM 1184 CB ASN A 101 -19.638 -4.566 2.445 1.00 0.00 C ATOM 1185 CG ASN A 101 -20.246 -4.127 3.782 1.00 0.00 C ATOM 1186 OD1 ASN A 101 -20.666 -4.949 4.571 1.00 0.00 O ATOM 1187 ND2 ASN A 101 -20.307 -2.856 4.071 1.00 0.00 N ATOM 0 H ASN A 101 -17.941 -3.060 3.367 1.00 0.00 H new ATOM 0 HA ASN A 101 -18.183 -6.014 3.193 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -19.642 -3.732 1.743 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -20.243 -5.358 2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -20.707 -2.554 4.959 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -19.954 -2.165 3.409 1.00 0.00 H new ATOM 1194 N GLY A 102 -16.532 -4.453 0.966 1.00 0.00 N ATOM 1195 CA GLY A 102 -15.806 -4.620 -0.326 1.00 0.00 C ATOM 1196 C GLY A 102 -14.883 -5.839 -0.249 1.00 0.00 C ATOM 1197 O GLY A 102 -14.669 -6.405 0.808 1.00 0.00 O ATOM 0 H GLY A 102 -16.222 -3.664 1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -16.519 -4.743 -1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.224 -3.725 -0.545 1.00 0.00 H new ATOM 1201 N ARG A 103 -14.326 -6.242 -1.361 1.00 0.00 N ATOM 1202 CA ARG A 103 -13.403 -7.416 -1.354 1.00 0.00 C ATOM 1203 C ARG A 103 -11.962 -6.942 -1.119 1.00 0.00 C ATOM 1204 O ARG A 103 -11.597 -5.838 -1.485 1.00 0.00 O ATOM 1205 CB ARG A 103 -13.559 -8.077 -2.734 1.00 0.00 C ATOM 1206 CG ARG A 103 -12.887 -7.222 -3.816 1.00 0.00 C ATOM 1207 CD ARG A 103 -13.166 -7.827 -5.197 1.00 0.00 C ATOM 1208 NE ARG A 103 -14.536 -7.357 -5.563 1.00 0.00 N ATOM 1209 CZ ARG A 103 -14.850 -7.176 -6.818 1.00 0.00 C ATOM 1210 NH1 ARG A 103 -14.457 -6.095 -7.440 1.00 0.00 N ATOM 1211 NH2 ARG A 103 -15.555 -8.077 -7.449 1.00 0.00 N ATOM 0 H ARG A 103 -14.470 -5.809 -2.273 1.00 0.00 H new ATOM 0 HA ARG A 103 -13.636 -8.123 -0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.115 -9.072 -2.720 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -14.616 -8.203 -2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -13.264 -6.200 -3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.812 -7.173 -3.640 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.428 -7.496 -5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -13.119 -8.916 -5.167 1.00 0.00 H new ATOM 0 HE ARG A 103 -15.226 -7.178 -4.833 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -13.906 -5.394 -6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -14.702 -5.953 -8.420 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -15.859 -8.920 -6.962 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -15.801 -7.938 -8.429 1.00 0.00 H new ATOM 1225 N VAL A 104 -11.147 -7.759 -0.504 1.00 0.00 N ATOM 1226 CA VAL A 104 -9.733 -7.349 -0.240 1.00 0.00 C ATOM 1227 C VAL A 104 -8.772 -8.171 -1.108 1.00 0.00 C ATOM 1228 O VAL A 104 -8.969 -9.353 -1.317 1.00 0.00 O ATOM 1229 CB VAL A 104 -9.487 -7.642 1.246 1.00 0.00 C ATOM 1230 CG1 VAL A 104 -8.118 -7.088 1.656 1.00 0.00 C ATOM 1231 CG2 VAL A 104 -10.573 -6.975 2.097 1.00 0.00 C ATOM 0 H VAL A 104 -11.397 -8.691 -0.173 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.567 -6.298 -0.477 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.513 -8.720 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.943 -7.296 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.340 -7.563 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.097 -6.011 1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.391 -7.188 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.551 -5.897 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.550 -7.365 1.811 1.00 0.00 H new ATOM 1241 N LYS A 105 -7.731 -7.551 -1.607 1.00 0.00 N ATOM 1242 CA LYS A 105 -6.749 -8.293 -2.454 1.00 0.00 C ATOM 1243 C LYS A 105 -5.326 -8.048 -1.952 1.00 0.00 C ATOM 1244 O LYS A 105 -4.995 -6.967 -1.502 1.00 0.00 O ATOM 1245 CB LYS A 105 -6.922 -7.727 -3.865 1.00 0.00 C ATOM 1246 CG LYS A 105 -7.803 -8.667 -4.692 1.00 0.00 C ATOM 1247 CD LYS A 105 -7.987 -8.092 -6.098 1.00 0.00 C ATOM 1248 CE LYS A 105 -8.820 -6.808 -6.021 1.00 0.00 C ATOM 1249 NZ LYS A 105 -8.128 -5.835 -6.913 1.00 0.00 N ATOM 0 H LYS A 105 -7.520 -6.563 -1.464 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.917 -9.370 -2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.375 -6.737 -3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.949 -7.610 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.345 -9.655 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.772 -8.792 -4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.016 -7.882 -6.546 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.482 -8.822 -6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.844 -6.984 -6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.873 -6.435 -4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.391 -4.866 -6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.099 -5.952 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.410 -6.006 -7.899 1.00 0.00 H new ATOM 1263 N GLN A 106 -4.478 -9.041 -2.027 1.00 0.00 N ATOM 1264 CA GLN A 106 -3.069 -8.857 -1.554 1.00 0.00 C ATOM 1265 C GLN A 106 -2.141 -8.580 -2.744 1.00 0.00 C ATOM 1266 O GLN A 106 -1.671 -9.489 -3.402 1.00 0.00 O ATOM 1267 CB GLN A 106 -2.698 -10.171 -0.858 1.00 0.00 C ATOM 1268 CG GLN A 106 -1.210 -10.164 -0.490 1.00 0.00 C ATOM 1269 CD GLN A 106 -0.940 -11.217 0.588 1.00 0.00 C ATOM 1270 OE1 GLN A 106 -1.337 -12.358 0.454 1.00 0.00 O ATOM 1271 NE2 GLN A 106 -0.275 -10.884 1.662 1.00 0.00 N ATOM 0 H GLN A 106 -4.696 -9.968 -2.393 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.969 -8.008 -0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.303 -10.301 0.039 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.916 -11.014 -1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.606 -10.371 -1.373 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -0.919 -9.177 -0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.060 -9.928 1.778 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -0.091 -11.580 2.384 1.00 0.00 H new ATOM 1280 N CYS A 107 -1.867 -7.328 -3.009 1.00 0.00 N ATOM 1281 CA CYS A 107 -0.959 -6.976 -4.142 1.00 0.00 C ATOM 1282 C CYS A 107 0.498 -7.078 -3.685 1.00 0.00 C ATOM 1283 O CYS A 107 0.929 -6.377 -2.786 1.00 0.00 O ATOM 1284 CB CYS A 107 -1.320 -5.541 -4.517 1.00 0.00 C ATOM 1285 SG CYS A 107 -2.898 -5.534 -5.406 1.00 0.00 S ATOM 0 H CYS A 107 -2.234 -6.532 -2.488 1.00 0.00 H new ATOM 0 HA CYS A 107 -1.072 -7.646 -4.994 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -1.392 -4.926 -3.620 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -0.537 -5.107 -5.139 1.00 0.00 H new ATOM 1290 N VAL A 108 1.249 -7.965 -4.287 1.00 0.00 N ATOM 1291 CA VAL A 108 2.675 -8.146 -3.888 1.00 0.00 C ATOM 1292 C VAL A 108 3.581 -8.224 -5.125 1.00 0.00 C ATOM 1293 O VAL A 108 3.250 -8.851 -6.112 1.00 0.00 O ATOM 1294 CB VAL A 108 2.712 -9.469 -3.109 1.00 0.00 C ATOM 1295 CG1 VAL A 108 1.792 -9.379 -1.889 1.00 0.00 C ATOM 1296 CG2 VAL A 108 2.246 -10.621 -4.007 1.00 0.00 C ATOM 0 H VAL A 108 0.933 -8.574 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 108 3.036 -7.310 -3.290 1.00 0.00 H new ATOM 0 HB VAL A 108 3.735 -9.655 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.822 -10.320 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.126 -8.570 -1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.771 -9.183 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.276 -11.555 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.226 -10.431 -4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.904 -10.697 -4.873 1.00 0.00 H new ATOM 1306 N GLY A 109 4.722 -7.592 -5.067 1.00 0.00 N ATOM 1307 CA GLY A 109 5.666 -7.622 -6.228 1.00 0.00 C ATOM 1308 C GLY A 109 6.996 -6.980 -5.827 1.00 0.00 C ATOM 1309 O GLY A 109 7.216 -6.660 -4.674 1.00 0.00 O ATOM 0 H GLY A 109 5.045 -7.053 -4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 109 5.830 -8.651 -6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.234 -7.088 -7.075 1.00 0.00 H new ATOM 1313 N THR A 110 7.884 -6.785 -6.769 1.00 0.00 N ATOM 1314 CA THR A 110 9.201 -6.153 -6.433 1.00 0.00 C ATOM 1315 C THR A 110 9.448 -4.926 -7.316 1.00 0.00 C ATOM 1316 O THR A 110 9.320 -4.983 -8.525 1.00 0.00 O ATOM 1317 CB THR A 110 10.271 -7.224 -6.686 1.00 0.00 C ATOM 1318 OG1 THR A 110 10.234 -7.639 -8.049 1.00 0.00 O ATOM 1319 CG2 THR A 110 10.032 -8.429 -5.771 1.00 0.00 C ATOM 0 H THR A 110 7.758 -7.033 -7.750 1.00 0.00 H new ATOM 0 HA THR A 110 9.223 -5.812 -5.398 1.00 0.00 H new ATOM 0 HB THR A 110 11.252 -6.800 -6.469 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.863 -6.919 -8.600 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.796 -9.184 -5.957 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.082 -8.111 -4.730 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.048 -8.851 -5.974 1.00 0.00 H new ATOM 1327 N VAL A 111 9.801 -3.820 -6.715 1.00 0.00 N ATOM 1328 CA VAL A 111 10.061 -2.571 -7.500 1.00 0.00 C ATOM 1329 C VAL A 111 11.145 -1.732 -6.813 1.00 0.00 C ATOM 1330 O VAL A 111 11.166 -1.608 -5.601 1.00 0.00 O ATOM 1331 CB VAL A 111 8.725 -1.808 -7.523 1.00 0.00 C ATOM 1332 CG1 VAL A 111 7.729 -2.537 -8.430 1.00 0.00 C ATOM 1333 CG2 VAL A 111 8.145 -1.716 -6.103 1.00 0.00 C ATOM 0 H VAL A 111 9.922 -3.725 -5.707 1.00 0.00 H new ATOM 0 HA VAL A 111 10.414 -2.791 -8.508 1.00 0.00 H new ATOM 0 HB VAL A 111 8.901 -0.803 -7.905 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.784 -1.994 -8.444 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.131 -2.592 -9.442 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.562 -3.545 -8.051 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.200 -1.174 -6.131 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.977 -2.720 -5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.847 -1.189 -5.457 1.00 0.00 H new ATOM 1343 N THR A 112 12.050 -1.161 -7.571 1.00 0.00 N ATOM 1344 CA THR A 112 13.139 -0.332 -6.950 1.00 0.00 C ATOM 1345 C THR A 112 12.550 0.921 -6.283 1.00 0.00 C ATOM 1346 O THR A 112 11.504 1.413 -6.667 1.00 0.00 O ATOM 1347 CB THR A 112 14.099 0.050 -8.094 1.00 0.00 C ATOM 1348 OG1 THR A 112 15.037 1.012 -7.627 1.00 0.00 O ATOM 1349 CG2 THR A 112 13.323 0.637 -9.277 1.00 0.00 C ATOM 0 H THR A 112 12.085 -1.231 -8.588 1.00 0.00 H new ATOM 0 HA THR A 112 13.663 -0.885 -6.170 1.00 0.00 H new ATOM 0 HB THR A 112 14.619 -0.849 -8.424 1.00 0.00 H new ATOM 0 HG1 THR A 112 15.608 0.606 -6.941 1.00 0.00 H new ATOM 0 HG21 THR A 112 14.019 0.900 -10.074 1.00 0.00 H new ATOM 0 HG22 THR A 112 12.610 -0.100 -9.646 1.00 0.00 H new ATOM 0 HG23 THR A 112 12.787 1.529 -8.954 1.00 0.00 H new ATOM 1357 N LEU A 113 13.217 1.426 -5.273 1.00 0.00 N ATOM 1358 CA LEU A 113 12.717 2.636 -4.548 1.00 0.00 C ATOM 1359 C LEU A 113 13.365 3.921 -5.091 1.00 0.00 C ATOM 1360 O LEU A 113 12.806 4.997 -4.973 1.00 0.00 O ATOM 1361 CB LEU A 113 13.137 2.403 -3.093 1.00 0.00 C ATOM 1362 CG LEU A 113 12.618 3.533 -2.196 1.00 0.00 C ATOM 1363 CD1 LEU A 113 11.093 3.614 -2.290 1.00 0.00 C ATOM 1364 CD2 LEU A 113 13.023 3.249 -0.748 1.00 0.00 C ATOM 0 H LEU A 113 14.095 1.048 -4.917 1.00 0.00 H new ATOM 0 HA LEU A 113 11.641 2.767 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.747 1.446 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 113 14.224 2.348 -3.026 1.00 0.00 H new ATOM 0 HG LEU A 113 13.047 4.480 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 113 10.731 4.419 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.802 3.812 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.658 2.669 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.657 4.049 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 113 12.591 2.300 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.109 3.195 -0.678 1.00 0.00 H new ATOM 1376 N ASP A 114 14.538 3.823 -5.670 1.00 0.00 N ATOM 1377 CA ASP A 114 15.215 5.046 -6.200 1.00 0.00 C ATOM 1378 C ASP A 114 14.784 5.306 -7.649 1.00 0.00 C ATOM 1379 O ASP A 114 14.272 6.361 -7.967 1.00 0.00 O ATOM 1380 CB ASP A 114 16.718 4.747 -6.119 1.00 0.00 C ATOM 1381 CG ASP A 114 17.168 4.736 -4.652 1.00 0.00 C ATOM 1382 OD1 ASP A 114 16.905 3.752 -3.977 1.00 0.00 O ATOM 1383 OD2 ASP A 114 17.770 5.708 -4.230 1.00 0.00 O ATOM 0 H ASP A 114 15.053 2.952 -5.798 1.00 0.00 H new ATOM 0 HA ASP A 114 14.955 5.939 -5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 114 16.932 3.783 -6.582 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.278 5.499 -6.675 1.00 0.00 H new ATOM 1388 N GLN A 115 14.980 4.350 -8.523 1.00 0.00 N ATOM 1389 CA GLN A 115 14.575 4.542 -9.948 1.00 0.00 C ATOM 1390 C GLN A 115 13.271 3.788 -10.227 1.00 0.00 C ATOM 1391 O GLN A 115 13.235 2.857 -11.012 1.00 0.00 O ATOM 1392 CB GLN A 115 15.732 3.964 -10.767 1.00 0.00 C ATOM 1393 CG GLN A 115 15.489 4.220 -12.257 1.00 0.00 C ATOM 1394 CD GLN A 115 16.766 4.765 -12.900 1.00 0.00 C ATOM 1395 OE1 GLN A 115 16.818 5.911 -13.294 1.00 0.00 O ATOM 1396 NE2 GLN A 115 17.805 3.985 -13.022 1.00 0.00 N ATOM 0 H GLN A 115 15.403 3.446 -8.311 1.00 0.00 H new ATOM 0 HA GLN A 115 14.391 5.587 -10.196 1.00 0.00 H new ATOM 0 HB2 GLN A 115 16.672 4.421 -10.458 1.00 0.00 H new ATOM 0 HB3 GLN A 115 15.822 2.894 -10.582 1.00 0.00 H new ATOM 0 HG2 GLN A 115 15.187 3.296 -12.750 1.00 0.00 H new ATOM 0 HG3 GLN A 115 14.673 4.931 -12.386 1.00 0.00 H new ATOM 0 HE21 GLN A 115 17.761 3.021 -12.691 1.00 0.00 H new ATOM 0 HE22 GLN A 115 18.661 4.339 -13.449 1.00 0.00 H new ATOM 1405 N ILE A 116 12.201 4.191 -9.587 1.00 0.00 N ATOM 1406 CA ILE A 116 10.883 3.509 -9.803 1.00 0.00 C ATOM 1407 C ILE A 116 10.610 3.366 -11.305 1.00 0.00 C ATOM 1408 O ILE A 116 10.611 4.337 -12.039 1.00 0.00 O ATOM 1409 CB ILE A 116 9.834 4.414 -9.143 1.00 0.00 C ATOM 1410 CG1 ILE A 116 10.069 4.458 -7.628 1.00 0.00 C ATOM 1411 CG2 ILE A 116 8.433 3.857 -9.418 1.00 0.00 C ATOM 1412 CD1 ILE A 116 9.554 5.788 -7.068 1.00 0.00 C ATOM 0 H ILE A 116 12.182 4.964 -8.922 1.00 0.00 H new ATOM 0 HA ILE A 116 10.865 2.506 -9.376 1.00 0.00 H new ATOM 0 HB ILE A 116 9.918 5.420 -9.555 1.00 0.00 H new ATOM 0 HG12 ILE A 116 9.557 3.626 -7.146 1.00 0.00 H new ATOM 0 HG13 ILE A 116 11.131 4.347 -7.411 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.688 4.499 -8.949 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.259 3.824 -10.494 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.354 2.851 -9.007 1.00 0.00 H new ATOM 0 HD11 ILE A 116 9.721 5.819 -5.991 1.00 0.00 H new ATOM 0 HD12 ILE A 116 10.087 6.613 -7.542 1.00 0.00 H new ATOM 0 HD13 ILE A 116 8.487 5.880 -7.272 1.00 0.00 H new ATOM 1424 N LYS A 117 10.392 2.159 -11.762 1.00 0.00 N ATOM 1425 CA LYS A 117 10.132 1.939 -13.216 1.00 0.00 C ATOM 1426 C LYS A 117 8.815 1.183 -13.423 1.00 0.00 C ATOM 1427 O LYS A 117 8.254 0.625 -12.498 1.00 0.00 O ATOM 1428 CB LYS A 117 11.322 1.104 -13.715 1.00 0.00 C ATOM 1429 CG LYS A 117 11.223 -0.334 -13.183 1.00 0.00 C ATOM 1430 CD LYS A 117 10.664 -1.253 -14.274 1.00 0.00 C ATOM 1431 CE LYS A 117 10.148 -2.550 -13.638 1.00 0.00 C ATOM 1432 NZ LYS A 117 9.287 -3.188 -14.678 1.00 0.00 N ATOM 0 H LYS A 117 10.383 1.315 -11.189 1.00 0.00 H new ATOM 0 HA LYS A 117 10.038 2.879 -13.759 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.338 1.096 -14.805 1.00 0.00 H new ATOM 0 HB3 LYS A 117 12.257 1.557 -13.386 1.00 0.00 H new ATOM 0 HG2 LYS A 117 12.206 -0.684 -12.869 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.578 -0.363 -12.305 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.857 -0.752 -14.808 1.00 0.00 H new ATOM 0 HD3 LYS A 117 11.439 -1.478 -15.007 1.00 0.00 H new ATOM 0 HE2 LYS A 117 10.973 -3.204 -13.356 1.00 0.00 H new ATOM 0 HE3 LYS A 117 9.580 -2.344 -12.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 9.355 -4.223 -14.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 8.299 -2.894 -14.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 9.606 -2.892 -15.622 1.00 0.00 H new ATOM 1446 N ASP A 118 8.328 1.157 -14.638 1.00 0.00 N ATOM 1447 CA ASP A 118 7.055 0.436 -14.929 1.00 0.00 C ATOM 1448 C ASP A 118 7.257 -0.538 -16.102 1.00 0.00 C ATOM 1449 O ASP A 118 8.223 -0.427 -16.834 1.00 0.00 O ATOM 1450 CB ASP A 118 6.055 1.534 -15.303 1.00 0.00 C ATOM 1451 CG ASP A 118 5.672 2.323 -14.049 1.00 0.00 C ATOM 1452 OD1 ASP A 118 4.931 1.791 -13.238 1.00 0.00 O ATOM 1453 OD2 ASP A 118 6.129 3.448 -13.921 1.00 0.00 O ATOM 0 H ASP A 118 8.761 1.607 -15.444 1.00 0.00 H new ATOM 0 HA ASP A 118 6.709 -0.156 -14.082 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.492 2.201 -16.046 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.166 1.093 -15.754 1.00 0.00 H new ATOM 1458 N PRO A 119 6.338 -1.466 -16.247 1.00 0.00 N ATOM 1459 CA PRO A 119 5.173 -1.563 -15.324 1.00 0.00 C ATOM 1460 C PRO A 119 5.582 -2.193 -13.985 1.00 0.00 C ATOM 1461 O PRO A 119 6.606 -2.845 -13.881 1.00 0.00 O ATOM 1462 CB PRO A 119 4.204 -2.475 -16.071 1.00 0.00 C ATOM 1463 CG PRO A 119 5.058 -3.299 -16.984 1.00 0.00 C ATOM 1464 CD PRO A 119 6.302 -2.502 -17.287 1.00 0.00 C ATOM 0 HA PRO A 119 4.746 -0.590 -15.079 1.00 0.00 H new ATOM 0 HB2 PRO A 119 3.646 -3.106 -15.379 1.00 0.00 H new ATOM 0 HB3 PRO A 119 3.473 -1.895 -16.634 1.00 0.00 H new ATOM 0 HG2 PRO A 119 5.316 -4.248 -16.514 1.00 0.00 H new ATOM 0 HG3 PRO A 119 4.521 -3.534 -17.903 1.00 0.00 H new ATOM 0 HD2 PRO A 119 7.193 -3.129 -17.253 1.00 0.00 H new ATOM 0 HD3 PRO A 119 6.259 -2.063 -18.284 1.00 0.00 H new ATOM 1472 N LEU A 120 4.777 -2.010 -12.968 1.00 0.00 N ATOM 1473 CA LEU A 120 5.094 -2.603 -11.631 1.00 0.00 C ATOM 1474 C LEU A 120 4.793 -4.104 -11.655 1.00 0.00 C ATOM 1475 O LEU A 120 3.653 -4.524 -11.715 1.00 0.00 O ATOM 1476 CB LEU A 120 4.208 -1.870 -10.606 1.00 0.00 C ATOM 1477 CG LEU A 120 2.741 -1.858 -11.061 1.00 0.00 C ATOM 1478 CD1 LEU A 120 1.845 -2.363 -9.927 1.00 0.00 C ATOM 1479 CD2 LEU A 120 2.335 -0.427 -11.424 1.00 0.00 C ATOM 0 H LEU A 120 3.910 -1.473 -13.006 1.00 0.00 H new ATOM 0 HA LEU A 120 6.146 -2.487 -11.370 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.288 -2.358 -9.635 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.562 -0.847 -10.479 1.00 0.00 H new ATOM 0 HG LEU A 120 2.627 -2.506 -11.930 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.805 -2.353 -10.253 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.133 -3.380 -9.662 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.959 -1.715 -9.058 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.294 -0.415 -11.747 1.00 0.00 H new ATOM 0 HD22 LEU A 120 2.451 0.217 -10.552 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.970 -0.062 -12.231 1.00 0.00 H new ATOM 1491 N ASP A 121 5.820 -4.909 -11.637 1.00 0.00 N ATOM 1492 CA ASP A 121 5.630 -6.393 -11.687 1.00 0.00 C ATOM 1493 C ASP A 121 5.123 -6.927 -10.340 1.00 0.00 C ATOM 1494 O ASP A 121 5.870 -7.487 -9.557 1.00 0.00 O ATOM 1495 CB ASP A 121 7.019 -6.961 -12.012 1.00 0.00 C ATOM 1496 CG ASP A 121 7.568 -6.305 -13.287 1.00 0.00 C ATOM 1497 OD1 ASP A 121 6.924 -6.417 -14.318 1.00 0.00 O ATOM 1498 OD2 ASP A 121 8.624 -5.696 -13.207 1.00 0.00 O ATOM 0 H ASP A 121 6.792 -4.603 -11.589 1.00 0.00 H new ATOM 0 HA ASP A 121 4.886 -6.683 -12.429 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.699 -6.782 -11.179 1.00 0.00 H new ATOM 0 HB3 ASP A 121 6.957 -8.041 -12.146 1.00 0.00 H new ATOM 1503 N ILE A 122 3.853 -6.759 -10.069 1.00 0.00 N ATOM 1504 CA ILE A 122 3.284 -7.259 -8.778 1.00 0.00 C ATOM 1505 C ILE A 122 1.966 -8.014 -9.028 1.00 0.00 C ATOM 1506 O ILE A 122 1.186 -7.655 -9.891 1.00 0.00 O ATOM 1507 CB ILE A 122 3.044 -6.007 -7.909 1.00 0.00 C ATOM 1508 CG1 ILE A 122 1.850 -5.206 -8.446 1.00 0.00 C ATOM 1509 CG2 ILE A 122 4.291 -5.112 -7.914 1.00 0.00 C ATOM 1510 CD1 ILE A 122 0.595 -5.557 -7.644 1.00 0.00 C ATOM 0 H ILE A 122 3.185 -6.297 -10.686 1.00 0.00 H new ATOM 0 HA ILE A 122 3.959 -7.959 -8.285 1.00 0.00 H new ATOM 0 HB ILE A 122 2.833 -6.333 -6.891 1.00 0.00 H new ATOM 0 HG12 ILE A 122 2.053 -4.138 -8.373 1.00 0.00 H new ATOM 0 HG13 ILE A 122 1.694 -5.430 -9.501 1.00 0.00 H new ATOM 0 HG21 ILE A 122 4.110 -4.232 -7.297 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.139 -5.667 -7.513 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.511 -4.801 -8.935 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.252 -4.988 -8.026 1.00 0.00 H new ATOM 0 HD12 ILE A 122 0.388 -6.623 -7.740 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.753 -5.311 -6.594 1.00 0.00 H new ATOM 1522 N THR A 123 1.715 -9.057 -8.276 1.00 0.00 N ATOM 1523 CA THR A 123 0.450 -9.838 -8.457 1.00 0.00 C ATOM 1524 C THR A 123 -0.471 -9.637 -7.245 1.00 0.00 C ATOM 1525 O THR A 123 -0.014 -9.544 -6.121 1.00 0.00 O ATOM 1526 CB THR A 123 0.892 -11.304 -8.562 1.00 0.00 C ATOM 1527 OG1 THR A 123 1.846 -11.444 -9.610 1.00 0.00 O ATOM 1528 CG2 THR A 123 -0.320 -12.193 -8.857 1.00 0.00 C ATOM 0 H THR A 123 2.333 -9.403 -7.542 1.00 0.00 H new ATOM 0 HA THR A 123 -0.108 -9.521 -9.338 1.00 0.00 H new ATOM 0 HB THR A 123 1.342 -11.608 -7.617 1.00 0.00 H new ATOM 0 HG1 THR A 123 2.127 -12.381 -9.673 1.00 0.00 H new ATOM 0 HG21 THR A 123 0.000 -13.232 -8.930 1.00 0.00 H new ATOM 0 HG22 THR A 123 -1.048 -12.094 -8.052 1.00 0.00 H new ATOM 0 HG23 THR A 123 -0.776 -11.886 -9.799 1.00 0.00 H new ATOM 1536 N CYS A 124 -1.762 -9.566 -7.462 1.00 0.00 N ATOM 1537 CA CYS A 124 -2.703 -9.366 -6.317 1.00 0.00 C ATOM 1538 C CYS A 124 -3.548 -10.622 -6.081 1.00 0.00 C ATOM 1539 O CYS A 124 -4.268 -11.073 -6.952 1.00 0.00 O ATOM 1540 CB CYS A 124 -3.593 -8.183 -6.716 1.00 0.00 C ATOM 1541 SG CYS A 124 -2.568 -6.717 -7.013 1.00 0.00 S ATOM 0 H CYS A 124 -2.203 -9.638 -8.379 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.167 -9.172 -5.388 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -4.160 -8.429 -7.613 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -4.317 -7.978 -5.927 1.00 0.00 H new ATOM 1546 N ASN A 125 -3.465 -11.185 -4.899 1.00 0.00 N ATOM 1547 CA ASN A 125 -4.258 -12.411 -4.584 1.00 0.00 C ATOM 1548 C ASN A 125 -5.387 -12.065 -3.606 1.00 0.00 C ATOM 1549 O ASN A 125 -5.146 -11.672 -2.481 1.00 0.00 O ATOM 1550 CB ASN A 125 -3.259 -13.381 -3.943 1.00 0.00 C ATOM 1551 CG ASN A 125 -2.487 -14.127 -5.040 1.00 0.00 C ATOM 1552 OD1 ASN A 125 -1.882 -13.514 -5.898 1.00 0.00 O ATOM 1553 ND2 ASN A 125 -2.479 -15.432 -5.047 1.00 0.00 N ATOM 0 H ASN A 125 -2.879 -10.845 -4.137 1.00 0.00 H new ATOM 0 HA ASN A 125 -4.725 -12.844 -5.469 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -2.565 -12.834 -3.304 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -3.785 -14.093 -3.307 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -1.966 -15.935 -5.771 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -2.986 -15.949 -4.328 1.00 0.00 H new ATOM 1560 N GLU A 126 -6.615 -12.195 -4.045 1.00 0.00 N ATOM 1561 CA GLU A 126 -7.795 -11.868 -3.175 1.00 0.00 C ATOM 1562 C GLU A 126 -7.671 -12.512 -1.786 1.00 0.00 C ATOM 1563 O GLU A 126 -7.517 -13.713 -1.657 1.00 0.00 O ATOM 1564 CB GLU A 126 -9.003 -12.441 -3.920 1.00 0.00 C ATOM 1565 CG GLU A 126 -10.288 -11.808 -3.377 1.00 0.00 C ATOM 1566 CD GLU A 126 -11.128 -12.876 -2.670 1.00 0.00 C ATOM 1567 OE1 GLU A 126 -11.798 -13.626 -3.360 1.00 0.00 O ATOM 1568 OE2 GLU A 126 -11.088 -12.923 -1.451 1.00 0.00 O ATOM 0 H GLU A 126 -6.856 -12.518 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 126 -7.877 -10.795 -3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -8.912 -12.244 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -9.039 -13.524 -3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -10.044 -11.004 -2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -10.859 -11.363 -4.192 1.00 0.00 H new