USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 429 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 TYR OH : rot 180:sc= 1.01 USER MOD Set 1.2: A 41 LYS NZ :NH3+ -148:sc= 1.25 (180deg=0) USER MOD Set 2.1: A 11 LYS NZ :NH3+ -144:sc= 1.7 (180deg=0.00152) USER MOD Set 2.2: A 47 TYR OH : rot 150:sc= 0.803 USER MOD Single : A 7 SER OG : rot -33:sc= -0.337 USER MOD Single : A 20 ASN : amide:sc= 0.626 K(o=0.63,f=-0.25) USER MOD Single : A 21 SER OG : rot -90:sc= 1.28 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.296 K(o=0.3,f=-6.2!) USER MOD Single : A 28 GLN : amide:sc= -0.94 K(o=-0.94,f=-1.9) USER MOD Single : A 31 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.3!) USER MOD Single : A 36 ASN : amide:sc= -0.402 K(o=-0.4,f=-10!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 42 ASN : amide:sc= -0.0164 K(o=-0.016,f=-1.1) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= -0.0577 (180deg=-0.337) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -0.246 F(o=-1.7!,f=-0.25) USER MOD Single : A 70 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.14) USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= -0.33 (180deg=-0.931) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 4.329 4.256 -0.222 1.00 0.00 N ATOM 106 CA SER A 7 5.039 3.986 1.013 1.00 0.00 C ATOM 107 C SER A 7 5.880 2.720 0.883 1.00 0.00 C ATOM 108 O SER A 7 5.537 1.804 0.128 1.00 0.00 O ATOM 109 CB SER A 7 4.046 3.878 2.173 1.00 0.00 C ATOM 110 OG SER A 7 2.857 3.226 1.761 1.00 0.00 O ATOM 0 HA SER A 7 5.718 4.813 1.220 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.501 3.327 2.996 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.809 4.874 2.548 1.00 0.00 H new ATOM 0 HG SER A 7 2.672 3.445 0.824 1.00 0.00 H new ATOM 116 N GLU A 8 6.985 2.683 1.608 1.00 0.00 N ATOM 117 CA GLU A 8 7.900 1.553 1.562 1.00 0.00 C ATOM 118 C GLU A 8 7.261 0.298 2.151 1.00 0.00 C ATOM 119 O GLU A 8 7.387 -0.788 1.590 1.00 0.00 O ATOM 120 CB GLU A 8 9.221 1.889 2.282 1.00 0.00 C ATOM 121 CG GLU A 8 9.118 2.996 3.332 1.00 0.00 C ATOM 122 CD GLU A 8 8.152 2.676 4.454 1.00 0.00 C ATOM 123 OE1 GLU A 8 8.564 2.027 5.434 1.00 0.00 O ATOM 124 OE2 GLU A 8 6.970 3.068 4.349 1.00 0.00 O ATOM 0 H GLU A 8 7.273 3.429 2.241 1.00 0.00 H new ATOM 0 HA GLU A 8 8.126 1.349 0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.596 0.986 2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.960 2.183 1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.106 3.178 3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.804 3.920 2.845 1.00 0.00 H new ATOM 131 N GLU A 9 6.550 0.462 3.260 1.00 0.00 N ATOM 132 CA GLU A 9 5.901 -0.657 3.934 1.00 0.00 C ATOM 133 C GLU A 9 4.799 -1.243 3.056 1.00 0.00 C ATOM 134 O GLU A 9 4.520 -2.440 3.106 1.00 0.00 O ATOM 135 CB GLU A 9 5.326 -0.195 5.274 1.00 0.00 C ATOM 136 CG GLU A 9 4.961 -1.335 6.213 1.00 0.00 C ATOM 137 CD GLU A 9 6.152 -2.203 6.569 1.00 0.00 C ATOM 138 OE1 GLU A 9 7.003 -1.759 7.370 1.00 0.00 O ATOM 139 OE2 GLU A 9 6.241 -3.334 6.054 1.00 0.00 O ATOM 0 H GLU A 9 6.408 1.364 3.714 1.00 0.00 H new ATOM 0 HA GLU A 9 6.642 -1.435 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.053 0.451 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.438 0.409 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.530 -0.924 7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.193 -1.952 5.747 1.00 0.00 H new ATOM 146 N PHE A 10 4.185 -0.388 2.248 1.00 0.00 N ATOM 147 CA PHE A 10 3.145 -0.807 1.314 1.00 0.00 C ATOM 148 C PHE A 10 3.717 -1.792 0.296 1.00 0.00 C ATOM 149 O PHE A 10 3.181 -2.884 0.096 1.00 0.00 O ATOM 150 CB PHE A 10 2.572 0.425 0.603 1.00 0.00 C ATOM 151 CG PHE A 10 1.504 0.130 -0.411 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.205 -0.125 -0.010 1.00 0.00 C ATOM 153 CD2 PHE A 10 1.798 0.133 -1.766 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.785 -0.373 -0.941 1.00 0.00 C ATOM 155 CE2 PHE A 10 0.814 -0.117 -2.701 1.00 0.00 C ATOM 156 CZ PHE A 10 -0.480 -0.370 -2.288 1.00 0.00 C ATOM 0 H PHE A 10 4.392 0.610 2.221 1.00 0.00 H new ATOM 0 HA PHE A 10 2.346 -1.306 1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.163 1.102 1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.387 0.953 0.108 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.038 -0.130 1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.808 0.333 -2.093 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.796 -0.569 -0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.055 -0.115 -3.754 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.252 -0.565 -3.018 1.00 0.00 H new ATOM 166 N LYS A 11 4.824 -1.400 -0.328 1.00 0.00 N ATOM 167 CA LYS A 11 5.484 -2.225 -1.333 1.00 0.00 C ATOM 168 C LYS A 11 6.167 -3.421 -0.672 1.00 0.00 C ATOM 169 O LYS A 11 6.290 -4.490 -1.266 1.00 0.00 O ATOM 170 CB LYS A 11 6.497 -1.384 -2.120 1.00 0.00 C ATOM 171 CG LYS A 11 5.908 -0.085 -2.653 1.00 0.00 C ATOM 172 CD LYS A 11 6.745 0.513 -3.772 1.00 0.00 C ATOM 173 CE LYS A 11 8.154 0.837 -3.327 1.00 0.00 C ATOM 174 NZ LYS A 11 8.982 1.329 -4.459 1.00 0.00 N ATOM 0 H LYS A 11 5.286 -0.508 -0.152 1.00 0.00 H new ATOM 0 HA LYS A 11 4.735 -2.604 -2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.347 -1.154 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.879 -1.972 -2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.897 -0.270 -3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.827 0.635 -1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.782 -0.186 -4.608 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.264 1.421 -4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.124 1.592 -2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.615 -0.052 -2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.957 0.983 -4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.587 0.980 -5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.983 2.369 -4.462 1.00 0.00 H new ATOM 188 N ARG A 12 6.600 -3.222 0.565 1.00 0.00 N ATOM 189 CA ARG A 12 7.224 -4.275 1.359 1.00 0.00 C ATOM 190 C ARG A 12 6.215 -5.375 1.663 1.00 0.00 C ATOM 191 O ARG A 12 6.516 -6.563 1.535 1.00 0.00 O ATOM 192 CB ARG A 12 7.763 -3.662 2.653 1.00 0.00 C ATOM 193 CG ARG A 12 8.563 -4.604 3.532 1.00 0.00 C ATOM 194 CD ARG A 12 9.017 -3.886 4.792 1.00 0.00 C ATOM 195 NE ARG A 12 9.846 -4.725 5.650 1.00 0.00 N ATOM 196 CZ ARG A 12 9.766 -4.741 6.980 1.00 0.00 C ATOM 197 NH1 ARG A 12 8.857 -4.003 7.616 1.00 0.00 N ATOM 198 NH2 ARG A 12 10.591 -5.514 7.675 1.00 0.00 N ATOM 0 H ARG A 12 6.529 -2.326 1.048 1.00 0.00 H new ATOM 0 HA ARG A 12 8.047 -4.721 0.800 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.391 -2.809 2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.923 -3.278 3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.956 -5.470 3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.429 -4.977 2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.576 -2.992 4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.142 -3.554 5.351 1.00 0.00 H new ATOM 0 HE ARG A 12 10.529 -5.337 5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.213 -3.418 7.084 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.805 -4.024 8.634 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.280 -6.090 7.191 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.536 -5.532 8.693 1.00 0.00 H new ATOM 212 N ASP A 13 5.013 -4.974 2.055 1.00 0.00 N ATOM 213 CA ASP A 13 3.944 -5.926 2.333 1.00 0.00 C ATOM 214 C ASP A 13 3.475 -6.580 1.041 1.00 0.00 C ATOM 215 O ASP A 13 3.030 -7.724 1.037 1.00 0.00 O ATOM 216 CB ASP A 13 2.776 -5.237 3.036 1.00 0.00 C ATOM 217 CG ASP A 13 1.708 -6.213 3.488 1.00 0.00 C ATOM 218 OD1 ASP A 13 2.021 -7.104 4.307 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.544 -6.075 3.055 1.00 0.00 O ATOM 0 H ASP A 13 4.753 -3.997 2.188 1.00 0.00 H new ATOM 0 HA ASP A 13 4.333 -6.698 2.996 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.150 -4.688 3.900 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.332 -4.505 2.361 1.00 0.00 H new ATOM 224 N ALA A 14 3.598 -5.847 -0.059 1.00 0.00 N ATOM 225 CA ALA A 14 3.271 -6.381 -1.372 1.00 0.00 C ATOM 226 C ALA A 14 4.177 -7.558 -1.720 1.00 0.00 C ATOM 227 O ALA A 14 3.749 -8.515 -2.367 1.00 0.00 O ATOM 228 CB ALA A 14 3.379 -5.294 -2.426 1.00 0.00 C ATOM 0 H ALA A 14 3.922 -4.880 -0.066 1.00 0.00 H new ATOM 0 HA ALA A 14 2.243 -6.741 -1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.131 -5.709 -3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.686 -4.487 -2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.397 -4.905 -2.444 1.00 0.00 H new ATOM 234 N VAL A 15 5.434 -7.483 -1.279 1.00 0.00 N ATOM 235 CA VAL A 15 6.374 -8.585 -1.448 1.00 0.00 C ATOM 236 C VAL A 15 5.860 -9.821 -0.717 1.00 0.00 C ATOM 237 O VAL A 15 5.947 -10.943 -1.224 1.00 0.00 O ATOM 238 CB VAL A 15 7.784 -8.214 -0.924 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.741 -9.398 -1.021 1.00 0.00 C ATOM 240 CG2 VAL A 15 8.335 -7.022 -1.689 1.00 0.00 C ATOM 0 H VAL A 15 5.822 -6.669 -0.802 1.00 0.00 H new ATOM 0 HA VAL A 15 6.456 -8.796 -2.514 1.00 0.00 H new ATOM 0 HB VAL A 15 7.691 -7.945 0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.721 -9.105 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.357 -10.226 -0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.829 -9.710 -2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.326 -6.773 -1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.403 -7.270 -2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.671 -6.167 -1.558 1.00 0.00 H new ATOM 250 N ALA A 16 5.297 -9.601 0.468 1.00 0.00 N ATOM 251 CA ALA A 16 4.705 -10.684 1.247 1.00 0.00 C ATOM 252 C ALA A 16 3.432 -11.207 0.584 1.00 0.00 C ATOM 253 O ALA A 16 3.179 -12.409 0.565 1.00 0.00 O ATOM 254 CB ALA A 16 4.419 -10.232 2.668 1.00 0.00 C ATOM 0 H ALA A 16 5.238 -8.683 0.909 1.00 0.00 H new ATOM 0 HA ALA A 16 5.426 -11.500 1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.978 -11.055 3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.349 -9.923 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.724 -9.392 2.650 1.00 0.00 H new ATOM 260 N LEU A 17 2.634 -10.304 0.035 1.00 0.00 N ATOM 261 CA LEU A 17 1.416 -10.684 -0.679 1.00 0.00 C ATOM 262 C LEU A 17 1.740 -11.587 -1.870 1.00 0.00 C ATOM 263 O LEU A 17 0.980 -12.492 -2.205 1.00 0.00 O ATOM 264 CB LEU A 17 0.673 -9.434 -1.165 1.00 0.00 C ATOM 265 CG LEU A 17 0.077 -8.551 -0.065 1.00 0.00 C ATOM 266 CD1 LEU A 17 -0.386 -7.222 -0.642 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.083 -9.262 0.614 1.00 0.00 C ATOM 0 H LEU A 17 2.805 -9.299 0.068 1.00 0.00 H new ATOM 0 HA LEU A 17 0.779 -11.235 0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.361 -8.831 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.131 -9.747 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 17 0.851 -8.357 0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.807 -6.607 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.462 -6.705 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.146 -7.401 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.496 -8.622 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.856 -9.482 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.730 -10.192 1.058 1.00 0.00 H new ATOM 279 N TYR A 18 2.888 -11.331 -2.483 1.00 0.00 N ATOM 280 CA TYR A 18 3.331 -12.058 -3.669 1.00 0.00 C ATOM 281 C TYR A 18 3.559 -13.541 -3.372 1.00 0.00 C ATOM 282 O TYR A 18 3.214 -14.400 -4.183 1.00 0.00 O ATOM 283 CB TYR A 18 4.613 -11.413 -4.194 1.00 0.00 C ATOM 284 CG TYR A 18 5.155 -12.003 -5.479 1.00 0.00 C ATOM 285 CD1 TYR A 18 4.633 -11.630 -6.709 1.00 0.00 C ATOM 286 CD2 TYR A 18 6.210 -12.908 -5.463 1.00 0.00 C ATOM 287 CE1 TYR A 18 5.140 -12.144 -7.886 1.00 0.00 C ATOM 288 CE2 TYR A 18 6.729 -13.422 -6.637 1.00 0.00 C ATOM 289 CZ TYR A 18 6.188 -13.036 -7.845 1.00 0.00 C ATOM 290 OH TYR A 18 6.700 -13.539 -9.020 1.00 0.00 O ATOM 0 H TYR A 18 3.541 -10.612 -2.172 1.00 0.00 H new ATOM 0 HA TYR A 18 2.549 -12.001 -4.426 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.428 -10.350 -4.351 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.381 -11.492 -3.425 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.816 -10.925 -6.747 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.632 -13.215 -4.517 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.716 -11.848 -8.834 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.552 -14.121 -6.608 1.00 0.00 H new ATOM 0 HH TYR A 18 7.436 -14.154 -8.819 1.00 0.00 H new ATOM 300 N GLU A 19 4.133 -13.847 -2.213 1.00 0.00 N ATOM 301 CA GLU A 19 4.391 -15.238 -1.852 1.00 0.00 C ATOM 302 C GLU A 19 3.096 -15.927 -1.427 1.00 0.00 C ATOM 303 O GLU A 19 2.969 -17.146 -1.511 1.00 0.00 O ATOM 304 CB GLU A 19 5.423 -15.346 -0.727 1.00 0.00 C ATOM 305 CG GLU A 19 4.941 -14.775 0.594 1.00 0.00 C ATOM 306 CD GLU A 19 5.458 -15.544 1.787 1.00 0.00 C ATOM 307 OE1 GLU A 19 5.296 -16.782 1.811 1.00 0.00 O ATOM 308 OE2 GLU A 19 5.985 -14.916 2.726 1.00 0.00 O ATOM 0 H GLU A 19 4.425 -13.162 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 19 4.795 -15.734 -2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.687 -16.394 -0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.333 -14.826 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.258 -13.735 0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.851 -14.778 0.610 1.00 0.00 H new ATOM 315 N ASN A 20 2.126 -15.132 -0.993 1.00 0.00 N ATOM 316 CA ASN A 20 0.849 -15.654 -0.526 1.00 0.00 C ATOM 317 C ASN A 20 -0.162 -15.707 -1.662 1.00 0.00 C ATOM 318 O ASN A 20 -1.374 -15.733 -1.436 1.00 0.00 O ATOM 319 CB ASN A 20 0.307 -14.797 0.623 1.00 0.00 C ATOM 320 CG ASN A 20 1.055 -15.025 1.923 1.00 0.00 C ATOM 321 OD1 ASN A 20 0.737 -15.936 2.685 1.00 0.00 O ATOM 322 ND2 ASN A 20 2.049 -14.198 2.197 1.00 0.00 N ATOM 0 H ASN A 20 2.201 -14.115 -0.955 1.00 0.00 H new ATOM 0 HA ASN A 20 1.011 -16.668 -0.161 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.374 -13.744 0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.749 -15.021 0.772 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.578 -14.305 3.062 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.287 -13.452 1.543 1.00 0.00 H new ATOM 329 N SER A 21 0.353 -15.779 -2.882 1.00 0.00 N ATOM 330 CA SER A 21 -0.470 -15.745 -4.080 1.00 0.00 C ATOM 331 C SER A 21 -1.278 -17.020 -4.277 1.00 0.00 C ATOM 332 O SER A 21 -2.201 -17.059 -5.092 1.00 0.00 O ATOM 333 CB SER A 21 0.408 -15.509 -5.291 1.00 0.00 C ATOM 334 OG SER A 21 1.594 -16.289 -5.221 1.00 0.00 O ATOM 0 H SER A 21 1.353 -15.863 -3.067 1.00 0.00 H new ATOM 0 HA SER A 21 -1.182 -14.929 -3.958 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.143 -15.759 -6.198 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.667 -14.452 -5.356 1.00 0.00 H new ATOM 0 HG SER A 21 2.295 -15.778 -4.766 1.00 0.00 H new ATOM 340 N ASP A 22 -0.928 -18.065 -3.553 1.00 0.00 N ATOM 341 CA ASP A 22 -1.692 -19.306 -3.611 1.00 0.00 C ATOM 342 C ASP A 22 -3.115 -19.063 -3.123 1.00 0.00 C ATOM 343 O ASP A 22 -4.073 -19.666 -3.611 1.00 0.00 O ATOM 344 CB ASP A 22 -1.038 -20.401 -2.770 1.00 0.00 C ATOM 345 CG ASP A 22 -1.679 -21.754 -2.999 1.00 0.00 C ATOM 346 OD1 ASP A 22 -2.665 -22.081 -2.311 1.00 0.00 O ATOM 347 OD2 ASP A 22 -1.193 -22.504 -3.874 1.00 0.00 O ATOM 0 H ASP A 22 -0.127 -18.085 -2.921 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.713 -19.640 -4.648 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.023 -20.458 -3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.111 -20.139 -1.714 1.00 0.00 H new ATOM 352 N GLY A 23 -3.236 -18.149 -2.174 1.00 0.00 N ATOM 353 CA GLY A 23 -4.531 -17.802 -1.636 1.00 0.00 C ATOM 354 C GLY A 23 -5.023 -16.468 -2.162 1.00 0.00 C ATOM 355 O GLY A 23 -6.086 -15.995 -1.767 1.00 0.00 O ATOM 0 H GLY A 23 -2.453 -17.638 -1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.250 -18.580 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.474 -17.765 -0.548 1.00 0.00 H new ATOM 359 N ALA A 24 -4.254 -15.865 -3.063 1.00 0.00 N ATOM 360 CA ALA A 24 -4.613 -14.573 -3.630 1.00 0.00 C ATOM 361 C ALA A 24 -4.012 -14.431 -5.017 1.00 0.00 C ATOM 362 O ALA A 24 -2.795 -14.384 -5.173 1.00 0.00 O ATOM 363 CB ALA A 24 -4.146 -13.439 -2.729 1.00 0.00 C ATOM 0 H ALA A 24 -3.378 -16.252 -3.415 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.699 -14.517 -3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.425 -12.483 -3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.615 -13.535 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.063 -13.485 -2.618 1.00 0.00 H new ATOM 369 N SER A 25 -4.868 -14.352 -6.020 1.00 0.00 N ATOM 370 CA SER A 25 -4.416 -14.309 -7.400 1.00 0.00 C ATOM 371 C SER A 25 -3.536 -13.084 -7.632 1.00 0.00 C ATOM 372 O SER A 25 -3.839 -11.994 -7.154 1.00 0.00 O ATOM 373 CB SER A 25 -5.627 -14.295 -8.337 1.00 0.00 C ATOM 374 OG SER A 25 -6.512 -15.365 -8.034 1.00 0.00 O ATOM 0 H SER A 25 -5.881 -14.316 -5.905 1.00 0.00 H new ATOM 0 HA SER A 25 -3.820 -15.197 -7.611 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.153 -13.345 -8.245 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.293 -14.375 -9.371 1.00 0.00 H new ATOM 0 HG SER A 25 -7.280 -15.337 -8.643 1.00 0.00 H new ATOM 380 N LEU A 26 -2.436 -13.285 -8.350 1.00 0.00 N ATOM 381 CA LEU A 26 -1.453 -12.231 -8.598 1.00 0.00 C ATOM 382 C LEU A 26 -2.105 -10.978 -9.174 1.00 0.00 C ATOM 383 O LEU A 26 -1.741 -9.854 -8.824 1.00 0.00 O ATOM 384 CB LEU A 26 -0.377 -12.742 -9.553 1.00 0.00 C ATOM 385 CG LEU A 26 0.858 -11.849 -9.687 1.00 0.00 C ATOM 386 CD1 LEU A 26 1.550 -11.700 -8.340 1.00 0.00 C ATOM 387 CD2 LEU A 26 1.820 -12.421 -10.720 1.00 0.00 C ATOM 0 H LEU A 26 -2.199 -14.181 -8.777 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.001 -11.963 -7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.057 -13.729 -9.218 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.822 -12.869 -10.540 1.00 0.00 H new ATOM 0 HG LEU A 26 0.538 -10.863 -10.024 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.427 -11.062 -8.450 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.861 -11.250 -7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.858 -12.681 -7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.693 -11.773 -10.802 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.136 -13.417 -10.411 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.321 -12.482 -11.687 1.00 0.00 H new ATOM 399 N GLN A 27 -3.079 -11.176 -10.050 1.00 0.00 N ATOM 400 CA GLN A 27 -3.789 -10.060 -10.658 1.00 0.00 C ATOM 401 C GLN A 27 -4.704 -9.388 -9.635 1.00 0.00 C ATOM 402 O GLN A 27 -4.942 -8.187 -9.706 1.00 0.00 O ATOM 403 CB GLN A 27 -4.589 -10.534 -11.874 1.00 0.00 C ATOM 404 CG GLN A 27 -5.195 -9.406 -12.695 1.00 0.00 C ATOM 405 CD GLN A 27 -4.182 -8.345 -13.097 1.00 0.00 C ATOM 406 OE1 GLN A 27 -3.493 -8.474 -14.108 1.00 0.00 O ATOM 407 NE2 GLN A 27 -4.099 -7.282 -12.314 1.00 0.00 N ATOM 0 H GLN A 27 -3.395 -12.096 -10.355 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.058 -9.326 -10.996 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.937 -11.127 -12.516 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.388 -11.193 -11.535 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.650 -9.823 -13.593 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.994 -8.937 -12.121 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.688 -7.213 -11.484 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.446 -6.532 -12.540 1.00 0.00 H new ATOM 416 N GLN A 28 -5.194 -10.164 -8.674 1.00 0.00 N ATOM 417 CA GLN A 28 -6.035 -9.625 -7.608 1.00 0.00 C ATOM 418 C GLN A 28 -5.216 -8.676 -6.742 1.00 0.00 C ATOM 419 O GLN A 28 -5.679 -7.593 -6.395 1.00 0.00 O ATOM 420 CB GLN A 28 -6.635 -10.761 -6.758 1.00 0.00 C ATOM 421 CG GLN A 28 -7.625 -10.294 -5.692 1.00 0.00 C ATOM 422 CD GLN A 28 -6.957 -9.807 -4.415 1.00 0.00 C ATOM 423 OE1 GLN A 28 -5.895 -10.298 -4.027 1.00 0.00 O ATOM 424 NE2 GLN A 28 -7.565 -8.828 -3.761 1.00 0.00 N ATOM 0 H GLN A 28 -5.024 -11.168 -8.610 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.862 -9.073 -8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.137 -11.467 -7.419 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.824 -11.302 -6.271 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.236 -9.490 -6.102 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.300 -11.115 -5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.443 -8.447 -4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.155 -8.455 -2.905 1.00 0.00 H new ATOM 433 N ILE A 29 -3.993 -9.086 -6.411 1.00 0.00 N ATOM 434 CA ILE A 29 -3.071 -8.234 -5.667 1.00 0.00 C ATOM 435 C ILE A 29 -2.845 -6.928 -6.426 1.00 0.00 C ATOM 436 O ILE A 29 -2.948 -5.839 -5.859 1.00 0.00 O ATOM 437 CB ILE A 29 -1.708 -8.933 -5.445 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.895 -10.278 -4.735 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.775 -8.032 -4.645 1.00 0.00 C ATOM 440 CD1 ILE A 29 -2.406 -10.155 -3.315 1.00 0.00 C ATOM 0 H ILE A 29 -3.618 -10.005 -6.647 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.518 -8.031 -4.694 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.258 -9.123 -6.419 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.592 -10.888 -5.310 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.942 -10.808 -4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.180 -8.537 -4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.613 -7.102 -5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.224 -7.812 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.513 -11.148 -2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.699 -9.573 -2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.374 -9.655 -3.319 1.00 0.00 H new ATOM 452 N ALA A 30 -2.565 -7.053 -7.719 1.00 0.00 N ATOM 453 CA ALA A 30 -2.344 -5.897 -8.576 1.00 0.00 C ATOM 454 C ALA A 30 -3.593 -5.019 -8.656 1.00 0.00 C ATOM 455 O ALA A 30 -3.497 -3.794 -8.637 1.00 0.00 O ATOM 456 CB ALA A 30 -1.920 -6.353 -9.964 1.00 0.00 C ATOM 0 H ALA A 30 -2.486 -7.950 -8.198 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.546 -5.296 -8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.757 -5.482 -10.599 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.997 -6.928 -9.892 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.702 -6.976 -10.397 1.00 0.00 H new ATOM 462 N ASN A 31 -4.760 -5.652 -8.731 1.00 0.00 N ATOM 463 CA ASN A 31 -6.030 -4.942 -8.806 1.00 0.00 C ATOM 464 C ASN A 31 -6.340 -4.221 -7.501 1.00 0.00 C ATOM 465 O ASN A 31 -6.738 -3.055 -7.501 1.00 0.00 O ATOM 466 CB ASN A 31 -7.164 -5.922 -9.126 1.00 0.00 C ATOM 467 CG ASN A 31 -7.237 -6.292 -10.594 1.00 0.00 C ATOM 468 OD1 ASN A 31 -6.836 -5.519 -11.465 1.00 0.00 O ATOM 469 ND2 ASN A 31 -7.770 -7.470 -10.882 1.00 0.00 N ATOM 0 H ASN A 31 -4.851 -6.668 -8.741 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.948 -4.200 -9.600 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.030 -6.828 -8.536 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.113 -5.481 -8.821 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.860 -7.765 -11.854 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.090 -8.082 -10.132 1.00 0.00 H new ATOM 476 N ASP A 32 -6.140 -4.924 -6.393 1.00 0.00 N ATOM 477 CA ASP A 32 -6.470 -4.401 -5.072 1.00 0.00 C ATOM 478 C ASP A 32 -5.582 -3.216 -4.715 1.00 0.00 C ATOM 479 O ASP A 32 -6.042 -2.231 -4.132 1.00 0.00 O ATOM 480 CB ASP A 32 -6.320 -5.504 -4.020 1.00 0.00 C ATOM 481 CG ASP A 32 -6.891 -5.106 -2.676 1.00 0.00 C ATOM 482 OD1 ASP A 32 -8.124 -4.926 -2.579 1.00 0.00 O ATOM 483 OD2 ASP A 32 -6.118 -4.981 -1.705 1.00 0.00 O ATOM 0 H ASP A 32 -5.748 -5.865 -6.383 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.504 -4.058 -5.090 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.821 -6.406 -4.371 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.264 -5.750 -3.904 1.00 0.00 H new ATOM 488 N LEU A 33 -4.307 -3.318 -5.066 1.00 0.00 N ATOM 489 CA LEU A 33 -3.344 -2.258 -4.799 1.00 0.00 C ATOM 490 C LEU A 33 -3.409 -1.175 -5.874 1.00 0.00 C ATOM 491 O LEU A 33 -3.035 -0.024 -5.639 1.00 0.00 O ATOM 492 CB LEU A 33 -1.924 -2.833 -4.716 1.00 0.00 C ATOM 493 CG LEU A 33 -1.523 -3.451 -3.367 1.00 0.00 C ATOM 494 CD1 LEU A 33 -2.436 -4.606 -2.985 1.00 0.00 C ATOM 495 CD2 LEU A 33 -0.074 -3.914 -3.410 1.00 0.00 C ATOM 0 H LEU A 33 -3.913 -4.131 -5.540 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.599 -1.806 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.817 -3.595 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.217 -2.038 -4.953 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.629 -2.680 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.121 -5.017 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.463 -4.248 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.380 -5.382 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.197 -4.350 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.046 -4.662 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.574 -3.063 -3.618 1.00 0.00 H new ATOM 507 N GLY A 34 -3.889 -1.547 -7.053 1.00 0.00 N ATOM 508 CA GLY A 34 -4.003 -0.601 -8.146 1.00 0.00 C ATOM 509 C GLY A 34 -2.689 -0.402 -8.871 1.00 0.00 C ATOM 510 O GLY A 34 -2.363 0.707 -9.302 1.00 0.00 O ATOM 0 H GLY A 34 -4.203 -2.492 -7.273 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.755 -0.953 -8.852 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.352 0.357 -7.760 1.00 0.00 H new ATOM 514 N ILE A 35 -1.936 -1.482 -9.016 1.00 0.00 N ATOM 515 CA ILE A 35 -0.619 -1.430 -9.626 1.00 0.00 C ATOM 516 C ILE A 35 -0.531 -2.410 -10.787 1.00 0.00 C ATOM 517 O ILE A 35 -1.370 -3.298 -10.923 1.00 0.00 O ATOM 518 CB ILE A 35 0.484 -1.770 -8.605 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.216 -3.147 -7.984 1.00 0.00 C ATOM 520 CG2 ILE A 35 0.573 -0.692 -7.533 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.284 -3.592 -7.010 1.00 0.00 C ATOM 0 H ILE A 35 -2.220 -2.414 -8.715 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.468 -0.413 -9.987 1.00 0.00 H new ATOM 0 HB ILE A 35 1.444 -1.806 -9.120 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.745 -3.123 -7.470 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.133 -3.886 -8.781 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.357 -0.950 -6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.806 0.266 -7.998 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.381 -0.619 -7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.027 -4.573 -6.612 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.244 -3.649 -7.523 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.352 -2.875 -6.192 1.00 0.00 H new ATOM 533 N ASN A 36 0.477 -2.239 -11.628 1.00 0.00 N ATOM 534 CA ASN A 36 0.726 -3.165 -12.711 1.00 0.00 C ATOM 535 C ASN A 36 1.309 -4.459 -12.157 1.00 0.00 C ATOM 536 O ASN A 36 2.089 -4.438 -11.204 1.00 0.00 O ATOM 537 CB ASN A 36 1.687 -2.520 -13.708 1.00 0.00 C ATOM 538 CG ASN A 36 1.834 -3.287 -15.006 1.00 0.00 C ATOM 539 OD1 ASN A 36 1.816 -4.516 -15.036 1.00 0.00 O ATOM 540 ND2 ASN A 36 1.967 -2.559 -16.091 1.00 0.00 N ATOM 0 H ASN A 36 1.136 -1.462 -11.577 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.207 -3.402 -13.222 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.340 -1.511 -13.931 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.668 -2.424 -13.242 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.060 -3.011 -17.000 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.977 -1.541 -16.024 1.00 0.00 H new ATOM 547 N ARG A 37 0.929 -5.571 -12.766 1.00 0.00 N ATOM 548 CA ARG A 37 1.399 -6.888 -12.356 1.00 0.00 C ATOM 549 C ARG A 37 2.926 -6.969 -12.443 1.00 0.00 C ATOM 550 O ARG A 37 3.579 -7.596 -11.607 1.00 0.00 O ATOM 551 CB ARG A 37 0.758 -7.955 -13.249 1.00 0.00 C ATOM 552 CG ARG A 37 1.029 -9.385 -12.807 1.00 0.00 C ATOM 553 CD ARG A 37 0.557 -10.393 -13.847 1.00 0.00 C ATOM 554 NE ARG A 37 -0.862 -10.235 -14.185 1.00 0.00 N ATOM 555 CZ ARG A 37 -1.610 -11.197 -14.735 1.00 0.00 C ATOM 556 NH1 ARG A 37 -1.086 -12.390 -14.994 1.00 0.00 N ATOM 557 NH2 ARG A 37 -2.882 -10.958 -15.038 1.00 0.00 N ATOM 0 H ARG A 37 0.287 -5.588 -13.558 1.00 0.00 H new ATOM 0 HA ARG A 37 1.111 -7.062 -11.319 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.320 -7.792 -13.273 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.123 -7.827 -14.268 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.097 -9.516 -12.631 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.524 -9.575 -11.860 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.156 -10.284 -14.751 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.727 -11.402 -13.472 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.304 -9.337 -13.989 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.108 -12.576 -14.773 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.662 -13.120 -15.414 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.287 -10.041 -14.851 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.453 -11.692 -15.458 1.00 0.00 H new ATOM 571 N VAL A 38 3.484 -6.311 -13.452 1.00 0.00 N ATOM 572 CA VAL A 38 4.928 -6.287 -13.653 1.00 0.00 C ATOM 573 C VAL A 38 5.606 -5.428 -12.587 1.00 0.00 C ATOM 574 O VAL A 38 6.645 -5.801 -12.044 1.00 0.00 O ATOM 575 CB VAL A 38 5.290 -5.748 -15.055 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.795 -5.791 -15.283 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.557 -6.533 -16.136 1.00 0.00 C ATOM 0 H VAL A 38 2.955 -5.784 -14.147 1.00 0.00 H new ATOM 0 HA VAL A 38 5.286 -7.313 -13.571 1.00 0.00 H new ATOM 0 HB VAL A 38 4.972 -4.707 -15.111 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.024 -5.406 -16.277 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.294 -5.178 -14.533 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.146 -6.820 -15.203 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.825 -6.139 -17.116 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.840 -7.584 -16.078 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.481 -6.438 -15.988 1.00 0.00 H new ATOM 587 N THR A 39 5.000 -4.285 -12.281 1.00 0.00 N ATOM 588 CA THR A 39 5.524 -3.391 -11.257 1.00 0.00 C ATOM 589 C THR A 39 5.568 -4.104 -9.909 1.00 0.00 C ATOM 590 O THR A 39 6.531 -3.969 -9.153 1.00 0.00 O ATOM 591 CB THR A 39 4.664 -2.118 -11.142 1.00 0.00 C ATOM 592 OG1 THR A 39 4.478 -1.537 -12.442 1.00 0.00 O ATOM 593 CG2 THR A 39 5.314 -1.097 -10.220 1.00 0.00 C ATOM 0 H THR A 39 4.144 -3.957 -12.729 1.00 0.00 H new ATOM 0 HA THR A 39 6.534 -3.102 -11.547 1.00 0.00 H new ATOM 0 HB THR A 39 3.699 -2.399 -10.720 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.929 -0.729 -12.364 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.684 -0.209 -10.158 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.432 -1.528 -9.226 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.292 -0.821 -10.614 1.00 0.00 H new ATOM 601 N LEU A 40 4.522 -4.878 -9.628 1.00 0.00 N ATOM 602 CA LEU A 40 4.459 -5.687 -8.419 1.00 0.00 C ATOM 603 C LEU A 40 5.619 -6.674 -8.381 1.00 0.00 C ATOM 604 O LEU A 40 6.351 -6.746 -7.398 1.00 0.00 O ATOM 605 CB LEU A 40 3.128 -6.442 -8.358 1.00 0.00 C ATOM 606 CG LEU A 40 2.972 -7.415 -7.187 1.00 0.00 C ATOM 607 CD1 LEU A 40 3.017 -6.676 -5.859 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.674 -8.193 -7.325 1.00 0.00 C ATOM 0 H LEU A 40 3.702 -4.960 -10.228 1.00 0.00 H new ATOM 0 HA LEU A 40 4.532 -5.026 -7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.319 -5.713 -8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.003 -6.997 -9.288 1.00 0.00 H new ATOM 0 HG LEU A 40 3.805 -8.118 -7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.904 -7.389 -5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.973 -6.161 -5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.207 -5.948 -5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.572 -8.883 -6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.833 -7.500 -7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.684 -8.756 -8.259 1.00 0.00 H new ATOM 620 N LYS A 41 5.792 -7.407 -9.475 1.00 0.00 N ATOM 621 CA LYS A 41 6.841 -8.405 -9.590 1.00 0.00 C ATOM 622 C LYS A 41 8.219 -7.784 -9.364 1.00 0.00 C ATOM 623 O LYS A 41 9.083 -8.376 -8.714 1.00 0.00 O ATOM 624 CB LYS A 41 6.764 -9.035 -10.979 1.00 0.00 C ATOM 625 CG LYS A 41 6.390 -10.507 -10.973 1.00 0.00 C ATOM 626 CD LYS A 41 6.322 -11.064 -12.386 1.00 0.00 C ATOM 627 CE LYS A 41 5.738 -12.470 -12.420 1.00 0.00 C ATOM 628 NZ LYS A 41 6.592 -13.467 -11.718 1.00 0.00 N ATOM 0 H LYS A 41 5.207 -7.324 -10.306 1.00 0.00 H new ATOM 0 HA LYS A 41 6.696 -9.168 -8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.033 -8.488 -11.574 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.729 -8.918 -11.473 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.123 -11.068 -10.393 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.426 -10.638 -10.481 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.715 -10.405 -13.006 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.322 -11.077 -12.819 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.749 -12.459 -11.962 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.605 -12.778 -13.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.498 -14.393 -12.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.585 -13.160 -11.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.290 -13.546 -10.726 1.00 0.00 H new ATOM 642 N ASN A 42 8.404 -6.579 -9.890 1.00 0.00 N ATOM 643 CA ASN A 42 9.675 -5.869 -9.772 1.00 0.00 C ATOM 644 C ASN A 42 9.995 -5.512 -8.322 1.00 0.00 C ATOM 645 O ASN A 42 11.160 -5.497 -7.926 1.00 0.00 O ATOM 646 CB ASN A 42 9.663 -4.595 -10.628 1.00 0.00 C ATOM 647 CG ASN A 42 9.735 -4.882 -12.117 1.00 0.00 C ATOM 648 OD1 ASN A 42 10.294 -5.893 -12.547 1.00 0.00 O ATOM 649 ND2 ASN A 42 9.186 -3.982 -12.925 1.00 0.00 N ATOM 0 H ASN A 42 7.686 -6.070 -10.406 1.00 0.00 H new ATOM 0 HA ASN A 42 10.453 -6.541 -10.134 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.756 -4.029 -10.416 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.505 -3.965 -10.344 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.219 -4.116 -13.936 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.731 -3.157 -12.535 1.00 0.00 H new ATOM 656 N TRP A 43 8.963 -5.233 -7.529 1.00 0.00 N ATOM 657 CA TRP A 43 9.158 -4.868 -6.127 1.00 0.00 C ATOM 658 C TRP A 43 9.776 -6.022 -5.347 1.00 0.00 C ATOM 659 O TRP A 43 10.691 -5.820 -4.550 1.00 0.00 O ATOM 660 CB TRP A 43 7.837 -4.454 -5.473 1.00 0.00 C ATOM 661 CG TRP A 43 7.292 -3.146 -5.968 1.00 0.00 C ATOM 662 CD1 TRP A 43 7.938 -2.228 -6.745 1.00 0.00 C ATOM 663 CD2 TRP A 43 5.992 -2.605 -5.702 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.117 -1.153 -6.985 1.00 0.00 N ATOM 665 CE2 TRP A 43 5.917 -1.361 -6.358 1.00 0.00 C ATOM 666 CE3 TRP A 43 4.881 -3.050 -4.978 1.00 0.00 C ATOM 667 CZ2 TRP A 43 4.778 -0.562 -6.309 1.00 0.00 C ATOM 668 CZ3 TRP A 43 3.753 -2.254 -4.931 1.00 0.00 C ATOM 669 CH2 TRP A 43 3.708 -1.022 -5.594 1.00 0.00 C ATOM 0 H TRP A 43 7.989 -5.252 -7.830 1.00 0.00 H new ATOM 0 HA TRP A 43 9.840 -4.018 -6.104 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.096 -5.234 -5.649 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.982 -4.390 -4.395 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.947 -2.332 -7.117 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.361 -0.333 -7.540 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.905 -4.000 -4.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.741 0.389 -6.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.891 -2.588 -4.373 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.811 -0.424 -5.539 1.00 0.00 H new ATOM 680 N ILE A 44 9.282 -7.228 -5.595 1.00 0.00 N ATOM 681 CA ILE A 44 9.772 -8.418 -4.908 1.00 0.00 C ATOM 682 C ILE A 44 11.241 -8.662 -5.237 1.00 0.00 C ATOM 683 O ILE A 44 12.058 -8.894 -4.347 1.00 0.00 O ATOM 684 CB ILE A 44 8.942 -9.679 -5.275 1.00 0.00 C ATOM 685 CG1 ILE A 44 7.581 -9.668 -4.570 1.00 0.00 C ATOM 686 CG2 ILE A 44 9.695 -10.954 -4.919 1.00 0.00 C ATOM 687 CD1 ILE A 44 6.623 -8.608 -5.065 1.00 0.00 C ATOM 0 H ILE A 44 8.539 -7.409 -6.270 1.00 0.00 H new ATOM 0 HA ILE A 44 9.664 -8.237 -3.839 1.00 0.00 H new ATOM 0 HB ILE A 44 8.779 -9.658 -6.353 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.115 -10.646 -4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.741 -9.523 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.090 -11.820 -5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.637 -10.985 -5.467 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.898 -10.970 -3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.687 -8.675 -4.510 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.063 -7.622 -4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.427 -8.762 -6.126 1.00 0.00 H new ATOM 699 N ILE A 45 11.569 -8.570 -6.517 1.00 0.00 N ATOM 700 CA ILE A 45 12.911 -8.873 -6.994 1.00 0.00 C ATOM 701 C ILE A 45 13.923 -7.822 -6.535 1.00 0.00 C ATOM 702 O ILE A 45 15.086 -8.135 -6.294 1.00 0.00 O ATOM 703 CB ILE A 45 12.939 -8.982 -8.539 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.913 -10.015 -9.013 1.00 0.00 C ATOM 705 CG2 ILE A 45 14.333 -9.356 -9.036 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.791 -10.107 -10.521 1.00 0.00 C ATOM 0 H ILE A 45 10.919 -8.286 -7.250 1.00 0.00 H new ATOM 0 HA ILE A 45 13.193 -9.834 -6.563 1.00 0.00 H new ATOM 0 HB ILE A 45 12.681 -8.008 -8.954 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.188 -10.994 -8.619 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.939 -9.765 -8.593 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.325 -9.426 -10.124 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.047 -8.592 -8.727 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.624 -10.317 -8.613 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.046 -10.859 -10.781 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.485 -9.140 -10.921 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.754 -10.388 -10.947 1.00 0.00 H new ATOM 718 N LYS A 46 13.488 -6.576 -6.418 1.00 0.00 N ATOM 719 CA LYS A 46 14.399 -5.501 -6.048 1.00 0.00 C ATOM 720 C LYS A 46 14.504 -5.333 -4.530 1.00 0.00 C ATOM 721 O LYS A 46 15.602 -5.231 -3.988 1.00 0.00 O ATOM 722 CB LYS A 46 13.955 -4.189 -6.694 1.00 0.00 C ATOM 723 CG LYS A 46 14.970 -3.067 -6.544 1.00 0.00 C ATOM 724 CD LYS A 46 14.521 -1.810 -7.268 1.00 0.00 C ATOM 725 CE LYS A 46 15.608 -0.739 -7.262 1.00 0.00 C ATOM 726 NZ LYS A 46 16.850 -1.177 -7.954 1.00 0.00 N ATOM 0 H LYS A 46 12.522 -6.286 -6.572 1.00 0.00 H new ATOM 0 HA LYS A 46 15.389 -5.770 -6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.768 -4.360 -7.754 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.010 -3.876 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.117 -2.846 -5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.933 -3.391 -6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.258 -2.056 -8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.621 -1.418 -6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.227 0.162 -7.743 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.845 -0.474 -6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.435 -0.346 -8.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.383 -1.821 -7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.601 -1.671 -8.835 1.00 0.00 H new ATOM 740 N TYR A 47 13.365 -5.307 -3.850 1.00 0.00 N ATOM 741 CA TYR A 47 13.339 -4.951 -2.433 1.00 0.00 C ATOM 742 C TYR A 47 13.473 -6.154 -1.500 1.00 0.00 C ATOM 743 O TYR A 47 14.142 -6.067 -0.469 1.00 0.00 O ATOM 744 CB TYR A 47 12.050 -4.200 -2.101 1.00 0.00 C ATOM 745 CG TYR A 47 11.964 -2.825 -2.720 1.00 0.00 C ATOM 746 CD1 TYR A 47 12.528 -1.724 -2.085 1.00 0.00 C ATOM 747 CD2 TYR A 47 11.308 -2.621 -3.927 1.00 0.00 C ATOM 748 CE1 TYR A 47 12.441 -0.461 -2.639 1.00 0.00 C ATOM 749 CE2 TYR A 47 11.222 -1.361 -4.487 1.00 0.00 C ATOM 750 CZ TYR A 47 11.789 -0.286 -3.838 1.00 0.00 C ATOM 751 OH TYR A 47 11.696 0.975 -4.389 1.00 0.00 O ATOM 0 H TYR A 47 12.453 -5.526 -4.251 1.00 0.00 H new ATOM 0 HA TYR A 47 14.209 -4.315 -2.266 1.00 0.00 H new ATOM 0 HB2 TYR A 47 11.199 -4.793 -2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.965 -4.106 -1.018 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.042 -1.858 -1.145 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.858 -3.461 -4.436 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.883 0.385 -2.133 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.713 -1.219 -5.429 1.00 0.00 H new ATOM 0 HH TYR A 47 11.660 0.903 -5.366 1.00 0.00 H new ATOM 761 N GLY A 48 12.855 -7.276 -1.847 1.00 0.00 N ATOM 762 CA GLY A 48 12.806 -8.393 -0.918 1.00 0.00 C ATOM 763 C GLY A 48 13.729 -9.534 -1.290 1.00 0.00 C ATOM 764 O GLY A 48 13.548 -10.658 -0.820 1.00 0.00 O ATOM 0 H GLY A 48 12.392 -7.434 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.066 -8.037 0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.783 -8.767 -0.866 1.00 0.00 H new ATOM 928 N ALA A 61 35.844 -10.898 -2.310 1.00 0.00 N ATOM 929 CA ALA A 61 34.713 -10.301 -3.001 1.00 0.00 C ATOM 930 C ALA A 61 34.839 -8.784 -3.064 1.00 0.00 C ATOM 931 O ALA A 61 33.933 -8.098 -3.530 1.00 0.00 O ATOM 932 CB ALA A 61 33.409 -10.713 -2.329 1.00 0.00 C ATOM 0 HA ALA A 61 34.707 -10.670 -4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 61 32.569 -10.260 -2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 61 33.312 -11.798 -2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 61 33.412 -10.376 -1.292 1.00 0.00 H new ATOM 938 N VAL A 62 35.977 -8.260 -2.620 1.00 0.00 N ATOM 939 CA VAL A 62 36.190 -6.818 -2.614 1.00 0.00 C ATOM 940 C VAL A 62 36.248 -6.289 -4.046 1.00 0.00 C ATOM 941 O VAL A 62 35.783 -5.188 -4.345 1.00 0.00 O ATOM 942 CB VAL A 62 37.478 -6.437 -1.845 1.00 0.00 C ATOM 943 CG1 VAL A 62 38.736 -6.743 -2.653 1.00 0.00 C ATOM 944 CG2 VAL A 62 37.446 -4.974 -1.411 1.00 0.00 C ATOM 0 H VAL A 62 36.760 -8.808 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 62 35.348 -6.357 -2.097 1.00 0.00 H new ATOM 0 HB VAL A 62 37.513 -7.056 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 62 39.617 -6.460 -2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 62 38.775 -7.809 -2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 62 38.716 -6.178 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 62 38.363 -4.734 -0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 62 37.363 -4.335 -2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 62 36.589 -4.807 -0.759 1.00 0.00 H new ATOM 954 N SER A 63 36.814 -7.097 -4.926 1.00 0.00 N ATOM 955 CA SER A 63 36.863 -6.784 -6.344 1.00 0.00 C ATOM 956 C SER A 63 35.467 -6.887 -6.948 1.00 0.00 C ATOM 957 O SER A 63 35.080 -6.075 -7.786 1.00 0.00 O ATOM 958 CB SER A 63 37.825 -7.732 -7.061 1.00 0.00 C ATOM 959 OG SER A 63 39.122 -7.666 -6.491 1.00 0.00 O ATOM 0 H SER A 63 37.251 -7.985 -4.679 1.00 0.00 H new ATOM 0 HA SER A 63 37.225 -5.764 -6.469 1.00 0.00 H new ATOM 0 HB2 SER A 63 37.448 -8.753 -7.000 1.00 0.00 H new ATOM 0 HB3 SER A 63 37.875 -7.474 -8.119 1.00 0.00 H new ATOM 0 HG SER A 63 39.719 -8.282 -6.965 1.00 0.00 H new ATOM 965 N GLU A 64 34.705 -7.870 -6.475 1.00 0.00 N ATOM 966 CA GLU A 64 33.346 -8.100 -6.951 1.00 0.00 C ATOM 967 C GLU A 64 32.467 -6.900 -6.624 1.00 0.00 C ATOM 968 O GLU A 64 31.619 -6.493 -7.418 1.00 0.00 O ATOM 969 CB GLU A 64 32.778 -9.360 -6.284 1.00 0.00 C ATOM 970 CG GLU A 64 31.467 -9.847 -6.873 1.00 0.00 C ATOM 971 CD GLU A 64 31.641 -10.445 -8.252 1.00 0.00 C ATOM 972 OE1 GLU A 64 32.427 -11.409 -8.386 1.00 0.00 O ATOM 973 OE2 GLU A 64 31.010 -9.950 -9.206 1.00 0.00 O ATOM 0 H GLU A 64 35.011 -8.525 -5.755 1.00 0.00 H new ATOM 0 HA GLU A 64 33.363 -8.238 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 64 33.515 -10.160 -6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 64 32.633 -9.160 -5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 64 31.028 -10.592 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 64 30.765 -9.015 -6.927 1.00 0.00 H new ATOM 980 N ALA A 65 32.721 -6.313 -5.467 1.00 0.00 N ATOM 981 CA ALA A 65 31.960 -5.165 -4.994 1.00 0.00 C ATOM 982 C ALA A 65 32.210 -3.937 -5.861 1.00 0.00 C ATOM 983 O ALA A 65 31.363 -3.044 -5.946 1.00 0.00 O ATOM 984 CB ALA A 65 32.298 -4.870 -3.540 1.00 0.00 C ATOM 0 H ALA A 65 33.457 -6.616 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 65 30.901 -5.411 -5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 65 31.722 -4.009 -3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 65 32.052 -5.737 -2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 65 33.362 -4.652 -3.451 1.00 0.00 H new ATOM 990 N GLU A 66 33.363 -3.906 -6.519 1.00 0.00 N ATOM 991 CA GLU A 66 33.717 -2.790 -7.382 1.00 0.00 C ATOM 992 C GLU A 66 32.768 -2.741 -8.575 1.00 0.00 C ATOM 993 O GLU A 66 32.336 -1.670 -8.994 1.00 0.00 O ATOM 994 CB GLU A 66 35.169 -2.915 -7.853 1.00 0.00 C ATOM 995 CG GLU A 66 35.764 -1.612 -8.369 1.00 0.00 C ATOM 996 CD GLU A 66 35.951 -0.586 -7.269 1.00 0.00 C ATOM 997 OE1 GLU A 66 36.782 -0.824 -6.368 1.00 0.00 O ATOM 998 OE2 GLU A 66 35.270 0.465 -7.299 1.00 0.00 O ATOM 0 H GLU A 66 34.068 -4.642 -6.470 1.00 0.00 H new ATOM 0 HA GLU A 66 33.623 -1.862 -6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 66 35.779 -3.279 -7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 66 35.221 -3.665 -8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 66 36.726 -1.816 -8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 66 35.114 -1.199 -9.140 1.00 0.00 H new ATOM 1005 N GLN A 67 32.426 -3.907 -9.110 1.00 0.00 N ATOM 1006 CA GLN A 67 31.461 -3.974 -10.197 1.00 0.00 C ATOM 1007 C GLN A 67 30.042 -3.855 -9.660 1.00 0.00 C ATOM 1008 O GLN A 67 29.165 -3.338 -10.339 1.00 0.00 O ATOM 1009 CB GLN A 67 31.602 -5.262 -11.015 1.00 0.00 C ATOM 1010 CG GLN A 67 32.870 -5.319 -11.848 1.00 0.00 C ATOM 1011 CD GLN A 67 34.055 -5.878 -11.089 1.00 0.00 C ATOM 1012 OE1 GLN A 67 33.801 -6.856 -10.233 1.00 0.00 O flip ATOM 1013 NE2 GLN A 67 35.192 -5.459 -11.297 1.00 0.00 N flip ATOM 0 H GLN A 67 32.798 -4.809 -8.812 1.00 0.00 H new ATOM 0 HA GLN A 67 31.669 -3.134 -10.860 1.00 0.00 H new ATOM 0 HB2 GLN A 67 31.584 -6.116 -10.338 1.00 0.00 H new ATOM 0 HB3 GLN A 67 30.740 -5.360 -11.674 1.00 0.00 H new ATOM 0 HG2 GLN A 67 32.690 -5.932 -12.731 1.00 0.00 H new ATOM 0 HG3 GLN A 67 33.112 -4.316 -12.200 1.00 0.00 H new ATOM 0 HE21 GLN A 67 35.343 -4.703 -11.965 1.00 0.00 H new ATOM 0 HE22 GLN A 67 35.985 -5.867 -10.801 1.00 0.00 H new ATOM 1022 N ILE A 68 29.823 -4.324 -8.437 1.00 0.00 N ATOM 1023 CA ILE A 68 28.504 -4.251 -7.809 1.00 0.00 C ATOM 1024 C ILE A 68 28.086 -2.801 -7.569 1.00 0.00 C ATOM 1025 O ILE A 68 26.914 -2.447 -7.731 1.00 0.00 O ATOM 1026 CB ILE A 68 28.467 -5.046 -6.475 1.00 0.00 C ATOM 1027 CG1 ILE A 68 28.647 -6.551 -6.741 1.00 0.00 C ATOM 1028 CG2 ILE A 68 27.164 -4.786 -5.719 1.00 0.00 C ATOM 1029 CD1 ILE A 68 27.578 -7.145 -7.632 1.00 0.00 C ATOM 0 H ILE A 68 30.541 -4.760 -7.858 1.00 0.00 H new ATOM 0 HA ILE A 68 27.793 -4.706 -8.499 1.00 0.00 H new ATOM 0 HB ILE A 68 29.293 -4.702 -5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 68 29.622 -6.715 -7.200 1.00 0.00 H new ATOM 0 HG13 ILE A 68 28.649 -7.081 -5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 68 27.163 -5.354 -4.789 1.00 0.00 H new ATOM 0 HG22 ILE A 68 27.079 -3.723 -5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 68 26.319 -5.095 -6.334 1.00 0.00 H new ATOM 0 HD11 ILE A 68 27.772 -8.208 -7.774 1.00 0.00 H new ATOM 0 HD12 ILE A 68 26.601 -7.013 -7.166 1.00 0.00 H new ATOM 0 HD13 ILE A 68 27.589 -6.642 -8.599 1.00 0.00 H new ATOM 1041 N ARG A 69 29.035 -1.955 -7.199 1.00 0.00 N ATOM 1042 CA ARG A 69 28.741 -0.544 -6.990 1.00 0.00 C ATOM 1043 C ARG A 69 28.508 0.149 -8.334 1.00 0.00 C ATOM 1044 O ARG A 69 27.683 1.055 -8.442 1.00 0.00 O ATOM 1045 CB ARG A 69 29.870 0.131 -6.197 1.00 0.00 C ATOM 1046 CG ARG A 69 31.193 0.212 -6.942 1.00 0.00 C ATOM 1047 CD ARG A 69 32.365 0.413 -5.994 1.00 0.00 C ATOM 1048 NE ARG A 69 32.190 1.571 -5.122 1.00 0.00 N ATOM 1049 CZ ARG A 69 33.177 2.394 -4.773 1.00 0.00 C ATOM 1050 NH1 ARG A 69 34.394 2.231 -5.276 1.00 0.00 N ATOM 1051 NH2 ARG A 69 32.936 3.382 -3.921 1.00 0.00 N ATOM 0 H ARG A 69 30.008 -2.217 -7.038 1.00 0.00 H new ATOM 0 HA ARG A 69 27.828 -0.455 -6.402 1.00 0.00 H new ATOM 0 HB2 ARG A 69 29.556 1.139 -5.926 1.00 0.00 H new ATOM 0 HB3 ARG A 69 30.023 -0.416 -5.267 1.00 0.00 H new ATOM 0 HG2 ARG A 69 31.343 -0.702 -7.516 1.00 0.00 H new ATOM 0 HG3 ARG A 69 31.158 1.035 -7.656 1.00 0.00 H new ATOM 0 HD2 ARG A 69 32.491 -0.481 -5.383 1.00 0.00 H new ATOM 0 HD3 ARG A 69 33.280 0.535 -6.574 1.00 0.00 H new ATOM 0 HE ARG A 69 31.256 1.761 -4.759 1.00 0.00 H new ATOM 0 HH11 ARG A 69 34.577 1.473 -5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 69 35.147 2.864 -5.006 1.00 0.00 H new ATOM 0 HH21 ARG A 69 31.999 3.508 -3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 69 33.687 4.016 -3.649 1.00 0.00 H new ATOM 1065 N GLN A 70 29.215 -0.313 -9.361 1.00 0.00 N ATOM 1066 CA GLN A 70 29.084 0.231 -10.705 1.00 0.00 C ATOM 1067 C GLN A 70 27.773 -0.231 -11.339 1.00 0.00 C ATOM 1068 O GLN A 70 27.003 0.578 -11.841 1.00 0.00 O ATOM 1069 CB GLN A 70 30.275 -0.234 -11.543 1.00 0.00 C ATOM 1070 CG GLN A 70 30.647 0.680 -12.700 1.00 0.00 C ATOM 1071 CD GLN A 70 29.684 0.616 -13.875 1.00 0.00 C ATOM 1072 OE1 GLN A 70 29.831 -0.220 -14.766 1.00 0.00 O ATOM 1073 NE2 GLN A 70 28.712 1.514 -13.901 1.00 0.00 N ATOM 0 H GLN A 70 29.892 -1.072 -9.284 1.00 0.00 H new ATOM 0 HA GLN A 70 29.072 1.320 -10.661 1.00 0.00 H new ATOM 0 HB2 GLN A 70 31.141 -0.337 -10.889 1.00 0.00 H new ATOM 0 HB3 GLN A 70 30.055 -1.225 -11.940 1.00 0.00 H new ATOM 0 HG2 GLN A 70 30.694 1.707 -12.338 1.00 0.00 H new ATOM 0 HG3 GLN A 70 31.646 0.419 -13.048 1.00 0.00 H new ATOM 0 HE21 GLN A 70 28.623 2.191 -13.143 1.00 0.00 H new ATOM 0 HE22 GLN A 70 28.052 1.529 -14.679 1.00 0.00 H new ATOM 1082 N LEU A 71 27.528 -1.536 -11.283 1.00 0.00 N ATOM 1083 CA LEU A 71 26.359 -2.154 -11.912 1.00 0.00 C ATOM 1084 C LEU A 71 25.061 -1.493 -11.448 1.00 0.00 C ATOM 1085 O LEU A 71 24.134 -1.305 -12.241 1.00 0.00 O ATOM 1086 CB LEU A 71 26.346 -3.665 -11.609 1.00 0.00 C ATOM 1087 CG LEU A 71 25.315 -4.506 -12.377 1.00 0.00 C ATOM 1088 CD1 LEU A 71 25.792 -5.947 -12.482 1.00 0.00 C ATOM 1089 CD2 LEU A 71 23.955 -4.470 -11.691 1.00 0.00 C ATOM 0 H LEU A 71 28.134 -2.199 -10.800 1.00 0.00 H new ATOM 0 HA LEU A 71 26.428 -2.008 -12.990 1.00 0.00 H new ATOM 0 HB2 LEU A 71 27.338 -4.064 -11.820 1.00 0.00 H new ATOM 0 HB3 LEU A 71 26.169 -3.798 -10.542 1.00 0.00 H new ATOM 0 HG LEU A 71 25.211 -4.080 -13.375 1.00 0.00 H new ATOM 0 HD11 LEU A 71 25.055 -6.535 -13.028 1.00 0.00 H new ATOM 0 HD12 LEU A 71 26.744 -5.977 -13.011 1.00 0.00 H new ATOM 0 HD13 LEU A 71 25.919 -6.362 -11.482 1.00 0.00 H new ATOM 0 HD21 LEU A 71 23.246 -5.074 -12.257 1.00 0.00 H new ATOM 0 HD22 LEU A 71 24.046 -4.869 -10.681 1.00 0.00 H new ATOM 0 HD23 LEU A 71 23.599 -3.441 -11.644 1.00 0.00 H new ATOM 1101 N LYS A 72 24.991 -1.140 -10.172 1.00 0.00 N ATOM 1102 CA LYS A 72 23.796 -0.494 -9.636 1.00 0.00 C ATOM 1103 C LYS A 72 23.718 0.973 -10.050 1.00 0.00 C ATOM 1104 O LYS A 72 22.626 1.516 -10.195 1.00 0.00 O ATOM 1105 CB LYS A 72 23.755 -0.574 -8.109 1.00 0.00 C ATOM 1106 CG LYS A 72 23.842 -1.981 -7.541 1.00 0.00 C ATOM 1107 CD LYS A 72 23.538 -1.993 -6.048 1.00 0.00 C ATOM 1108 CE LYS A 72 24.315 -0.917 -5.301 1.00 0.00 C ATOM 1109 NZ LYS A 72 25.782 -1.151 -5.330 1.00 0.00 N ATOM 0 H LYS A 72 25.738 -1.287 -9.493 1.00 0.00 H new ATOM 0 HA LYS A 72 22.943 -1.031 -10.051 1.00 0.00 H new ATOM 0 HB2 LYS A 72 24.578 0.017 -7.706 1.00 0.00 H new ATOM 0 HB3 LYS A 72 22.831 -0.113 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.139 -2.631 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 72 24.839 -2.385 -7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 72 22.470 -1.842 -5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 72 23.785 -2.971 -5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 72 24.097 0.056 -5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 72 23.976 -0.882 -4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 26.280 -0.258 -5.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 26.036 -1.851 -4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 26.058 -1.508 -6.267 1.00 0.00 H new