USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 423 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 15 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 18 GLN : amide:sc= -0.079 K(o=-0.079,f=-1.8!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.67 K(o=-1.7,f=-6.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 34 LYS NZ :NH3+ -168:sc=-0.000648 (180deg=-0.106) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 69:sc= 0.504 USER MOD Single : A 44 THR OG1 : rot -57:sc= -2.69! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 52 THR OG1 : rot 96:sc= 0.278 USER MOD Single : A 56 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.4) USER MOD Single : A 57 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 177 N PRO A 13 -9.693 1.162 6.634 1.00 0.00 N ATOM 178 CA PRO A 13 -8.926 2.411 6.606 1.00 0.00 C ATOM 179 C PRO A 13 -8.232 2.635 5.267 1.00 0.00 C ATOM 180 O PRO A 13 -8.490 1.924 4.296 1.00 0.00 O ATOM 181 CB PRO A 13 -7.892 2.216 7.718 1.00 0.00 C ATOM 182 CG PRO A 13 -7.693 0.742 7.797 1.00 0.00 C ATOM 183 CD PRO A 13 -8.975 0.083 7.332 1.00 0.00 C ATOM 0 HA PRO A 13 -9.563 3.284 6.745 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.959 2.729 7.485 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.249 2.618 8.666 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.855 0.434 7.171 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.456 0.441 8.818 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.774 -0.758 6.668 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.553 -0.304 8.171 1.00 0.00 H new ATOM 191 N TYR A 14 -7.350 3.628 5.222 1.00 0.00 N ATOM 192 CA TYR A 14 -6.620 3.947 4.001 1.00 0.00 C ATOM 193 C TYR A 14 -7.572 4.408 2.902 1.00 0.00 C ATOM 194 O TYR A 14 -8.322 3.610 2.341 1.00 0.00 O ATOM 195 CB TYR A 14 -5.824 2.731 3.525 1.00 0.00 C ATOM 196 CG TYR A 14 -5.126 1.989 4.643 1.00 0.00 C ATOM 197 CD1 TYR A 14 -4.493 2.677 5.671 1.00 0.00 C ATOM 198 CD2 TYR A 14 -5.098 0.600 4.670 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.853 2.003 6.693 1.00 0.00 C ATOM 200 CE2 TYR A 14 -4.463 -0.082 5.689 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.842 0.624 6.699 1.00 0.00 C ATOM 202 OH TYR A 14 -3.206 -0.052 7.715 1.00 0.00 O ATOM 0 H TYR A 14 -7.124 4.226 6.017 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.929 4.760 4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.497 2.046 3.010 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.081 3.056 2.797 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.502 3.757 5.671 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.581 0.044 3.880 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.364 2.553 7.483 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.452 -1.162 5.695 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.293 -1.017 7.570 1.00 0.00 H new ATOM 212 N SER A 15 -7.535 5.702 2.600 1.00 0.00 N ATOM 213 CA SER A 15 -8.396 6.271 1.570 1.00 0.00 C ATOM 214 C SER A 15 -8.043 5.710 0.195 1.00 0.00 C ATOM 215 O SER A 15 -7.184 4.837 0.070 1.00 0.00 O ATOM 216 CB SER A 15 -8.273 7.796 1.558 1.00 0.00 C ATOM 217 OG SER A 15 -7.236 8.217 0.688 1.00 0.00 O ATOM 0 H SER A 15 -6.918 6.376 3.054 1.00 0.00 H new ATOM 0 HA SER A 15 -9.426 5.998 1.801 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.218 8.238 1.243 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.074 8.156 2.567 1.00 0.00 H new ATOM 0 HG SER A 15 -7.179 9.195 0.697 1.00 0.00 H new ATOM 223 N LYS A 16 -8.712 6.219 -0.834 1.00 0.00 N ATOM 224 CA LYS A 16 -8.471 5.772 -2.200 1.00 0.00 C ATOM 225 C LYS A 16 -7.115 6.260 -2.701 1.00 0.00 C ATOM 226 O LYS A 16 -6.380 5.520 -3.353 1.00 0.00 O ATOM 227 CB LYS A 16 -9.580 6.275 -3.127 1.00 0.00 C ATOM 228 CG LYS A 16 -10.774 5.341 -3.210 1.00 0.00 C ATOM 229 CD LYS A 16 -11.780 5.622 -2.107 1.00 0.00 C ATOM 230 CE LYS A 16 -12.496 6.945 -2.329 1.00 0.00 C ATOM 231 NZ LYS A 16 -13.669 7.100 -1.424 1.00 0.00 N ATOM 0 H LYS A 16 -9.426 6.942 -0.747 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.470 4.682 -2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.917 7.252 -2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.170 6.416 -4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.257 5.452 -4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.434 4.308 -3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.511 4.814 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.270 5.640 -1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.799 7.767 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.826 7.010 -3.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.130 8.014 -1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.346 6.330 -1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.351 7.064 -0.434 1.00 0.00 H new ATOM 245 N GLY A 17 -6.789 7.511 -2.389 1.00 0.00 N ATOM 246 CA GLY A 17 -5.521 8.075 -2.814 1.00 0.00 C ATOM 247 C GLY A 17 -4.335 7.394 -2.160 1.00 0.00 C ATOM 248 O GLY A 17 -3.249 7.339 -2.736 1.00 0.00 O ATOM 0 H GLY A 17 -7.380 8.144 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.434 7.989 -3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.502 9.139 -2.576 1.00 0.00 H new ATOM 252 N GLN A 18 -4.543 6.874 -0.955 1.00 0.00 N ATOM 253 CA GLN A 18 -3.481 6.195 -0.222 1.00 0.00 C ATOM 254 C GLN A 18 -3.278 4.778 -0.747 1.00 0.00 C ATOM 255 O GLN A 18 -2.171 4.401 -1.136 1.00 0.00 O ATOM 256 CB GLN A 18 -3.807 6.157 1.272 1.00 0.00 C ATOM 257 CG GLN A 18 -3.877 7.533 1.914 1.00 0.00 C ATOM 258 CD GLN A 18 -4.246 7.473 3.384 1.00 0.00 C ATOM 259 OE1 GLN A 18 -5.403 7.676 3.754 1.00 0.00 O ATOM 260 NE2 GLN A 18 -3.262 7.193 4.230 1.00 0.00 N ATOM 0 H GLN A 18 -5.437 6.910 -0.465 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.557 6.754 -0.370 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.761 5.650 1.414 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.051 5.564 1.786 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.913 8.030 1.805 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.610 8.140 1.384 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.318 7.032 3.879 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.450 7.139 5.231 1.00 0.00 H new ATOM 269 N LEU A 19 -4.351 3.996 -0.754 1.00 0.00 N ATOM 270 CA LEU A 19 -4.291 2.618 -1.231 1.00 0.00 C ATOM 271 C LEU A 19 -3.841 2.565 -2.687 1.00 0.00 C ATOM 272 O LEU A 19 -3.276 1.568 -3.137 1.00 0.00 O ATOM 273 CB LEU A 19 -5.658 1.947 -1.083 1.00 0.00 C ATOM 274 CG LEU A 19 -6.189 1.814 0.344 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.683 1.529 0.333 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.442 0.720 1.093 1.00 0.00 C ATOM 0 H LEU A 19 -5.274 4.292 -0.435 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.561 2.081 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.383 2.513 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.601 0.951 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.023 2.759 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.043 1.437 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.206 2.346 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.872 0.599 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.834 0.640 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.575 -0.231 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.381 0.966 1.133 1.00 0.00 H new ATOM 288 N ARG A 20 -4.093 3.646 -3.419 1.00 0.00 N ATOM 289 CA ARG A 20 -3.712 3.722 -4.824 1.00 0.00 C ATOM 290 C ARG A 20 -2.235 3.384 -5.007 1.00 0.00 C ATOM 291 O ARG A 20 -1.860 2.690 -5.951 1.00 0.00 O ATOM 292 CB ARG A 20 -3.998 5.120 -5.376 1.00 0.00 C ATOM 293 CG ARG A 20 -5.241 5.188 -6.248 1.00 0.00 C ATOM 294 CD ARG A 20 -5.500 6.604 -6.740 1.00 0.00 C ATOM 295 NE ARG A 20 -6.592 7.245 -6.013 1.00 0.00 N ATOM 296 CZ ARG A 20 -6.971 8.502 -6.215 1.00 0.00 C ATOM 297 NH1 ARG A 20 -6.349 9.249 -7.116 1.00 0.00 N ATOM 298 NH2 ARG A 20 -7.975 9.014 -5.514 1.00 0.00 N ATOM 0 H ARG A 20 -4.559 4.480 -3.062 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.305 2.992 -5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.110 5.814 -4.543 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.138 5.455 -5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.125 4.521 -7.102 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.103 4.835 -5.682 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.593 7.198 -6.629 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.737 6.580 -7.804 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.091 6.698 -5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.577 8.859 -7.657 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.642 10.214 -7.269 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.456 8.442 -4.820 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.266 9.979 -5.670 1.00 0.00 H new ATOM 312 N GLU A 21 -1.403 3.880 -4.097 1.00 0.00 N ATOM 313 CA GLU A 21 0.033 3.630 -4.159 1.00 0.00 C ATOM 314 C GLU A 21 0.366 2.238 -3.632 1.00 0.00 C ATOM 315 O GLU A 21 1.241 1.553 -4.165 1.00 0.00 O ATOM 316 CB GLU A 21 0.792 4.687 -3.354 1.00 0.00 C ATOM 317 CG GLU A 21 0.450 6.114 -3.749 1.00 0.00 C ATOM 318 CD GLU A 21 0.401 6.308 -5.252 1.00 0.00 C ATOM 319 OE1 GLU A 21 1.467 6.549 -5.854 1.00 0.00 O ATOM 320 OE2 GLU A 21 -0.705 6.219 -5.825 1.00 0.00 O ATOM 0 H GLU A 21 -1.698 4.457 -3.309 1.00 0.00 H new ATOM 0 HA GLU A 21 0.341 3.688 -5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.575 4.550 -2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.863 4.530 -3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.515 6.384 -3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.189 6.792 -3.323 1.00 0.00 H new ATOM 327 N LEU A 22 -0.336 1.825 -2.582 1.00 0.00 N ATOM 328 CA LEU A 22 -0.115 0.514 -1.982 1.00 0.00 C ATOM 329 C LEU A 22 -0.373 -0.599 -2.993 1.00 0.00 C ATOM 330 O LEU A 22 0.458 -1.487 -3.177 1.00 0.00 O ATOM 331 CB LEU A 22 -1.020 0.331 -0.762 1.00 0.00 C ATOM 332 CG LEU A 22 -0.705 1.214 0.446 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.730 0.996 1.548 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.700 0.934 0.959 1.00 0.00 C ATOM 0 H LEU A 22 -1.063 2.379 -2.129 1.00 0.00 H new ATOM 0 HA LEU A 22 0.927 0.457 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.049 0.520 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.967 -0.712 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.755 2.257 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.490 1.633 2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.723 1.247 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.713 -0.048 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.907 1.571 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.777 -0.112 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.423 1.142 0.171 1.00 0.00 H new ATOM 346 N GLU A 23 -1.530 -0.541 -3.646 1.00 0.00 N ATOM 347 CA GLU A 23 -1.896 -1.544 -4.639 1.00 0.00 C ATOM 348 C GLU A 23 -0.891 -1.565 -5.787 1.00 0.00 C ATOM 349 O GLU A 23 -0.570 -2.625 -6.326 1.00 0.00 O ATOM 350 CB GLU A 23 -3.300 -1.268 -5.181 1.00 0.00 C ATOM 351 CG GLU A 23 -4.388 -1.347 -4.123 1.00 0.00 C ATOM 352 CD GLU A 23 -5.736 -1.731 -4.700 1.00 0.00 C ATOM 353 OE1 GLU A 23 -5.779 -2.646 -5.549 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.748 -1.117 -4.304 1.00 0.00 O ATOM 0 H GLU A 23 -2.229 0.189 -3.505 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.887 -2.520 -4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.317 -0.277 -5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.522 -1.984 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.100 -2.076 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.473 -0.383 -3.622 1.00 0.00 H new ATOM 361 N ARG A 24 -0.398 -0.388 -6.156 1.00 0.00 N ATOM 362 CA ARG A 24 0.569 -0.270 -7.240 1.00 0.00 C ATOM 363 C ARG A 24 1.845 -1.042 -6.917 1.00 0.00 C ATOM 364 O ARG A 24 2.282 -1.890 -7.694 1.00 0.00 O ATOM 365 CB ARG A 24 0.902 1.201 -7.499 1.00 0.00 C ATOM 366 CG ARG A 24 0.028 1.845 -8.562 1.00 0.00 C ATOM 367 CD ARG A 24 0.764 2.960 -9.288 1.00 0.00 C ATOM 368 NE ARG A 24 1.540 2.459 -10.419 1.00 0.00 N ATOM 369 CZ ARG A 24 0.993 1.983 -11.532 1.00 0.00 C ATOM 370 NH1 ARG A 24 -0.326 1.945 -11.662 1.00 0.00 N ATOM 371 NH2 ARG A 24 1.765 1.545 -12.517 1.00 0.00 N ATOM 0 H ARG A 24 -0.653 0.498 -5.720 1.00 0.00 H new ATOM 0 HA ARG A 24 0.123 -0.698 -8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.797 1.758 -6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.946 1.281 -7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.289 1.089 -9.280 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.875 2.244 -8.100 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.045 3.699 -9.641 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.428 3.470 -8.590 1.00 0.00 H new ATOM 0 HE ARG A 24 2.558 2.475 -10.351 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.923 2.282 -10.906 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.744 1.579 -12.518 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.780 1.573 -12.421 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.344 1.180 -13.371 1.00 0.00 H new ATOM 385 N GLU A 25 2.437 -0.741 -5.765 1.00 0.00 N ATOM 386 CA GLU A 25 3.663 -1.406 -5.341 1.00 0.00 C ATOM 387 C GLU A 25 3.428 -2.899 -5.130 1.00 0.00 C ATOM 388 O GLU A 25 4.285 -3.724 -5.448 1.00 0.00 O ATOM 389 CB GLU A 25 4.192 -0.775 -4.051 1.00 0.00 C ATOM 390 CG GLU A 25 5.147 0.383 -4.287 1.00 0.00 C ATOM 391 CD GLU A 25 4.678 1.311 -5.391 1.00 0.00 C ATOM 392 OE1 GLU A 25 4.877 0.972 -6.576 1.00 0.00 O ATOM 393 OE2 GLU A 25 4.112 2.376 -5.068 1.00 0.00 O ATOM 0 H GLU A 25 2.088 -0.042 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 25 4.405 -1.280 -6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.349 -0.424 -3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.700 -1.540 -3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.259 0.951 -3.363 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.132 -0.009 -4.541 1.00 0.00 H new ATOM 400 N TYR A 26 2.262 -3.238 -4.592 1.00 0.00 N ATOM 401 CA TYR A 26 1.914 -4.630 -4.336 1.00 0.00 C ATOM 402 C TYR A 26 1.899 -5.435 -5.632 1.00 0.00 C ATOM 403 O TYR A 26 2.465 -6.525 -5.705 1.00 0.00 O ATOM 404 CB TYR A 26 0.549 -4.719 -3.651 1.00 0.00 C ATOM 405 CG TYR A 26 0.050 -6.136 -3.478 1.00 0.00 C ATOM 406 CD1 TYR A 26 0.795 -7.074 -2.774 1.00 0.00 C ATOM 407 CD2 TYR A 26 -1.166 -6.536 -4.017 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.344 -8.370 -2.614 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.626 -7.829 -3.860 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.868 -8.742 -3.158 1.00 0.00 C ATOM 411 OH TYR A 26 -1.322 -10.032 -3.000 1.00 0.00 O ATOM 0 H TYR A 26 1.542 -2.567 -4.325 1.00 0.00 H new ATOM 0 HA TYR A 26 2.672 -5.052 -3.676 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.611 -4.242 -2.673 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.179 -4.155 -4.235 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.743 -6.785 -2.345 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.762 -5.824 -4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.937 -9.088 -2.066 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.574 -8.123 -4.285 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.191 -10.129 -3.442 1.00 0.00 H new ATOM 421 N ALA A 27 1.246 -4.889 -6.653 1.00 0.00 N ATOM 422 CA ALA A 27 1.158 -5.553 -7.947 1.00 0.00 C ATOM 423 C ALA A 27 2.545 -5.866 -8.498 1.00 0.00 C ATOM 424 O ALA A 27 2.717 -6.807 -9.274 1.00 0.00 O ATOM 425 CB ALA A 27 0.379 -4.692 -8.931 1.00 0.00 C ATOM 0 H ALA A 27 0.770 -3.988 -6.608 1.00 0.00 H new ATOM 0 HA ALA A 27 0.629 -6.496 -7.809 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.321 -5.201 -9.893 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.628 -4.523 -8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.885 -3.735 -9.056 1.00 0.00 H new ATOM 431 N ALA A 28 3.531 -5.072 -8.094 1.00 0.00 N ATOM 432 CA ALA A 28 4.903 -5.266 -8.547 1.00 0.00 C ATOM 433 C ALA A 28 5.615 -6.320 -7.705 1.00 0.00 C ATOM 434 O ALA A 28 6.464 -7.056 -8.204 1.00 0.00 O ATOM 435 CB ALA A 28 5.664 -3.950 -8.503 1.00 0.00 C ATOM 0 H ALA A 28 3.405 -4.288 -7.454 1.00 0.00 H new ATOM 0 HA ALA A 28 4.873 -5.621 -9.577 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.687 -4.110 -8.844 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.174 -3.225 -9.153 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.677 -3.571 -7.481 1.00 0.00 H new ATOM 441 N ASN A 29 5.264 -6.384 -6.424 1.00 0.00 N ATOM 442 CA ASN A 29 5.871 -7.346 -5.513 1.00 0.00 C ATOM 443 C ASN A 29 5.062 -7.460 -4.224 1.00 0.00 C ATOM 444 O ASN A 29 4.746 -6.456 -3.586 1.00 0.00 O ATOM 445 CB ASN A 29 7.310 -6.938 -5.191 1.00 0.00 C ATOM 446 CG ASN A 29 7.413 -5.494 -4.738 1.00 0.00 C ATOM 447 OD1 ASN A 29 7.498 -5.211 -3.543 1.00 0.00 O ATOM 448 ND2 ASN A 29 7.406 -4.573 -5.694 1.00 0.00 N ATOM 0 H ASN A 29 4.562 -5.781 -5.994 1.00 0.00 H new ATOM 0 HA ASN A 29 5.878 -8.319 -6.004 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.704 -7.590 -4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.933 -7.085 -6.074 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.473 -3.585 -5.451 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.334 -4.854 -6.672 1.00 0.00 H new ATOM 455 N LYS A 30 4.731 -8.690 -3.846 1.00 0.00 N ATOM 456 CA LYS A 30 3.961 -8.938 -2.633 1.00 0.00 C ATOM 457 C LYS A 30 4.690 -8.397 -1.407 1.00 0.00 C ATOM 458 O LYS A 30 4.065 -8.050 -0.404 1.00 0.00 O ATOM 459 CB LYS A 30 3.702 -10.436 -2.466 1.00 0.00 C ATOM 460 CG LYS A 30 4.946 -11.292 -2.633 1.00 0.00 C ATOM 461 CD LYS A 30 4.718 -12.710 -2.136 1.00 0.00 C ATOM 462 CE LYS A 30 6.005 -13.521 -2.158 1.00 0.00 C ATOM 463 NZ LYS A 30 6.200 -14.216 -3.460 1.00 0.00 N ATOM 0 H LYS A 30 4.984 -9.532 -4.363 1.00 0.00 H new ATOM 0 HA LYS A 30 3.007 -8.419 -2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.278 -10.615 -1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.955 -10.750 -3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.234 -11.316 -3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.774 -10.842 -2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.322 -12.682 -1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.968 -13.199 -2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.852 -12.863 -1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.985 -14.256 -1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.088 -14.758 -3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.404 -14.863 -3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.245 -13.513 -4.225 1.00 0.00 H new ATOM 477 N PHE A 31 6.014 -8.327 -1.494 1.00 0.00 N ATOM 478 CA PHE A 31 6.827 -7.828 -0.391 1.00 0.00 C ATOM 479 C PHE A 31 7.793 -6.749 -0.873 1.00 0.00 C ATOM 480 O PHE A 31 8.647 -7.001 -1.723 1.00 0.00 O ATOM 481 CB PHE A 31 7.606 -8.975 0.256 1.00 0.00 C ATOM 482 CG PHE A 31 6.731 -9.973 0.958 1.00 0.00 C ATOM 483 CD1 PHE A 31 6.142 -9.664 2.173 1.00 0.00 C ATOM 484 CD2 PHE A 31 6.498 -11.221 0.403 1.00 0.00 C ATOM 485 CE1 PHE A 31 5.336 -10.580 2.822 1.00 0.00 C ATOM 486 CE2 PHE A 31 5.692 -12.141 1.047 1.00 0.00 C ATOM 487 CZ PHE A 31 5.112 -11.821 2.259 1.00 0.00 C ATOM 0 H PHE A 31 6.547 -8.609 -2.317 1.00 0.00 H new ATOM 0 HA PHE A 31 6.160 -7.389 0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.185 -9.488 -0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.318 -8.562 0.970 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.315 -8.695 2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.951 -11.478 -0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.882 -10.326 3.768 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.516 -13.109 0.603 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.485 -12.540 2.765 1.00 0.00 H new ATOM 497 N ILE A 32 7.651 -5.548 -0.323 1.00 0.00 N ATOM 498 CA ILE A 32 8.511 -4.432 -0.695 1.00 0.00 C ATOM 499 C ILE A 32 9.793 -4.426 0.131 1.00 0.00 C ATOM 500 O ILE A 32 10.005 -5.296 0.975 1.00 0.00 O ATOM 501 CB ILE A 32 7.791 -3.082 -0.515 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.505 -2.826 0.966 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.501 -3.058 -1.321 1.00 0.00 C ATOM 504 CD1 ILE A 32 6.837 -1.495 1.231 1.00 0.00 C ATOM 0 H ILE A 32 6.949 -5.323 0.382 1.00 0.00 H new ATOM 0 HA ILE A 32 8.761 -4.564 -1.748 1.00 0.00 H new ATOM 0 HB ILE A 32 8.441 -2.288 -0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.870 -3.625 1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.442 -2.870 1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.004 -2.098 -1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.729 -3.200 -2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.844 -3.859 -0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.664 -1.381 2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.481 -0.689 0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.884 -1.455 0.704 1.00 0.00 H new ATOM 516 N THR A 33 10.646 -3.437 -0.118 1.00 0.00 N ATOM 517 CA THR A 33 11.907 -3.316 0.602 1.00 0.00 C ATOM 518 C THR A 33 11.936 -2.051 1.452 1.00 0.00 C ATOM 519 O THR A 33 11.139 -1.135 1.248 1.00 0.00 O ATOM 520 CB THR A 33 13.107 -3.300 -0.364 1.00 0.00 C ATOM 521 OG1 THR A 33 14.314 -3.035 0.359 1.00 0.00 O ATOM 522 CG2 THR A 33 12.916 -2.247 -1.445 1.00 0.00 C ATOM 0 H THR A 33 10.486 -2.708 -0.813 1.00 0.00 H new ATOM 0 HA THR A 33 11.985 -4.188 1.251 1.00 0.00 H new ATOM 0 HB THR A 33 13.176 -4.278 -0.840 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.072 -3.028 -0.262 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.775 -2.254 -2.115 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.012 -2.468 -2.012 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.824 -1.264 -0.983 1.00 0.00 H new ATOM 530 N LYS A 34 12.860 -2.005 2.406 1.00 0.00 N ATOM 531 CA LYS A 34 12.996 -0.851 3.286 1.00 0.00 C ATOM 532 C LYS A 34 13.242 0.421 2.482 1.00 0.00 C ATOM 533 O LYS A 34 12.967 1.526 2.950 1.00 0.00 O ATOM 534 CB LYS A 34 14.141 -1.071 4.277 1.00 0.00 C ATOM 535 CG LYS A 34 13.674 -1.397 5.685 1.00 0.00 C ATOM 536 CD LYS A 34 14.678 -2.271 6.417 1.00 0.00 C ATOM 537 CE LYS A 34 14.330 -2.404 7.892 1.00 0.00 C ATOM 538 NZ LYS A 34 14.586 -1.142 8.639 1.00 0.00 N ATOM 0 H LYS A 34 13.527 -2.755 2.589 1.00 0.00 H new ATOM 0 HA LYS A 34 12.063 -0.735 3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.772 -1.883 3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.761 -0.175 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.521 -0.472 6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.711 -1.906 5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.705 -3.259 5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.676 -1.845 6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.280 -2.680 7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.916 -3.211 8.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.533 -1.327 9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.533 -0.783 8.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.871 -0.433 8.378 1.00 0.00 H new ATOM 552 N ASP A 35 13.761 0.258 1.270 1.00 0.00 N ATOM 553 CA ASP A 35 14.042 1.393 0.399 1.00 0.00 C ATOM 554 C ASP A 35 12.782 1.842 -0.333 1.00 0.00 C ATOM 555 O ASP A 35 12.708 2.964 -0.835 1.00 0.00 O ATOM 556 CB ASP A 35 15.133 1.031 -0.611 1.00 0.00 C ATOM 557 CG ASP A 35 16.507 1.497 -0.171 1.00 0.00 C ATOM 558 OD1 ASP A 35 17.084 0.864 0.738 1.00 0.00 O ATOM 559 OD2 ASP A 35 17.005 2.494 -0.735 1.00 0.00 O ATOM 0 H ASP A 35 13.996 -0.650 0.868 1.00 0.00 H new ATOM 0 HA ASP A 35 14.392 2.217 1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.148 -0.049 -0.754 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.893 1.477 -1.576 1.00 0.00 H new ATOM 564 N LYS A 36 11.792 0.958 -0.392 1.00 0.00 N ATOM 565 CA LYS A 36 10.533 1.261 -1.063 1.00 0.00 C ATOM 566 C LYS A 36 9.469 1.687 -0.056 1.00 0.00 C ATOM 567 O LYS A 36 8.651 2.563 -0.338 1.00 0.00 O ATOM 568 CB LYS A 36 10.045 0.044 -1.852 1.00 0.00 C ATOM 569 CG LYS A 36 8.636 0.197 -2.398 1.00 0.00 C ATOM 570 CD LYS A 36 8.506 1.438 -3.265 1.00 0.00 C ATOM 571 CE LYS A 36 9.429 1.374 -4.472 1.00 0.00 C ATOM 572 NZ LYS A 36 9.105 2.426 -5.475 1.00 0.00 N ATOM 0 H LYS A 36 11.837 0.025 0.017 1.00 0.00 H new ATOM 0 HA LYS A 36 10.708 2.087 -1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.729 -0.139 -2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.083 -0.835 -1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.373 -0.685 -2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.928 0.254 -1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.474 1.543 -3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.740 2.323 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.462 1.490 -4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.350 0.392 -4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.756 2.349 -6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.127 2.301 -5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.205 3.365 -5.038 1.00 0.00 H new ATOM 586 N ARG A 37 9.487 1.064 1.117 1.00 0.00 N ATOM 587 CA ARG A 37 8.524 1.379 2.165 1.00 0.00 C ATOM 588 C ARG A 37 8.712 2.809 2.664 1.00 0.00 C ATOM 589 O ARG A 37 7.769 3.439 3.142 1.00 0.00 O ATOM 590 CB ARG A 37 8.666 0.398 3.330 1.00 0.00 C ATOM 591 CG ARG A 37 7.389 0.217 4.133 1.00 0.00 C ATOM 592 CD ARG A 37 7.337 -1.151 4.795 1.00 0.00 C ATOM 593 NE ARG A 37 8.415 -1.332 5.764 1.00 0.00 N ATOM 594 CZ ARG A 37 8.839 -2.520 6.179 1.00 0.00 C ATOM 595 NH1 ARG A 37 8.278 -3.628 5.712 1.00 0.00 N ATOM 596 NH2 ARG A 37 9.825 -2.603 7.062 1.00 0.00 N ATOM 0 H ARG A 37 10.158 0.338 1.366 1.00 0.00 H new ATOM 0 HA ARG A 37 7.523 1.288 1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.981 -0.571 2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.456 0.748 3.994 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.324 0.994 4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.526 0.339 3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.376 -1.276 5.294 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.402 -1.926 4.031 1.00 0.00 H new ATOM 0 HE ARG A 37 8.867 -0.500 6.143 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.519 -3.568 5.033 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.605 -4.539 6.032 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.259 -1.754 7.423 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.149 -3.516 7.380 1.00 0.00 H new ATOM 610 N ARG A 38 9.936 3.314 2.549 1.00 0.00 N ATOM 611 CA ARG A 38 10.248 4.668 2.989 1.00 0.00 C ATOM 612 C ARG A 38 9.554 5.701 2.107 1.00 0.00 C ATOM 613 O ARG A 38 9.008 6.688 2.599 1.00 0.00 O ATOM 614 CB ARG A 38 11.761 4.898 2.969 1.00 0.00 C ATOM 615 CG ARG A 38 12.395 4.653 1.610 1.00 0.00 C ATOM 616 CD ARG A 38 13.911 4.765 1.674 1.00 0.00 C ATOM 617 NE ARG A 38 14.362 6.150 1.572 1.00 0.00 N ATOM 618 CZ ARG A 38 15.588 6.548 1.892 1.00 0.00 C ATOM 619 NH1 ARG A 38 16.481 5.672 2.331 1.00 0.00 N ATOM 620 NH2 ARG A 38 15.924 7.826 1.772 1.00 0.00 N ATOM 0 H ARG A 38 10.728 2.806 2.155 1.00 0.00 H new ATOM 0 HA ARG A 38 9.883 4.784 4.009 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.969 5.922 3.278 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.230 4.242 3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.117 3.662 1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.006 5.373 0.891 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.267 4.336 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.352 4.180 0.867 1.00 0.00 H new ATOM 0 HE ARG A 38 13.700 6.850 1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.228 4.688 2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.422 5.982 2.576 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.241 8.503 1.434 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.866 8.131 2.018 1.00 0.00 H new ATOM 634 N LYS A 39 9.579 5.467 0.799 1.00 0.00 N ATOM 635 CA LYS A 39 8.952 6.375 -0.154 1.00 0.00 C ATOM 636 C LYS A 39 7.437 6.387 0.023 1.00 0.00 C ATOM 637 O LYS A 39 6.827 7.449 0.148 1.00 0.00 O ATOM 638 CB LYS A 39 9.306 5.968 -1.586 1.00 0.00 C ATOM 639 CG LYS A 39 10.800 5.954 -1.863 1.00 0.00 C ATOM 640 CD LYS A 39 11.361 7.362 -1.967 1.00 0.00 C ATOM 641 CE LYS A 39 12.793 7.355 -2.479 1.00 0.00 C ATOM 642 NZ LYS A 39 13.122 8.601 -3.225 1.00 0.00 N ATOM 0 H LYS A 39 10.027 4.655 0.375 1.00 0.00 H new ATOM 0 HA LYS A 39 9.330 7.379 0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.899 4.976 -1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.823 6.655 -2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.313 5.415 -1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.994 5.415 -2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.737 7.955 -2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.325 7.842 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.478 7.243 -1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.942 6.493 -3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.107 8.557 -3.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.485 8.695 -4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.005 9.422 -2.598 1.00 0.00 H new ATOM 656 N ILE A 40 6.837 5.202 0.033 1.00 0.00 N ATOM 657 CA ILE A 40 5.394 5.078 0.197 1.00 0.00 C ATOM 658 C ILE A 40 4.915 5.829 1.434 1.00 0.00 C ATOM 659 O ILE A 40 3.851 6.448 1.423 1.00 0.00 O ATOM 660 CB ILE A 40 4.965 3.603 0.308 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.403 2.827 -0.936 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.459 3.502 0.499 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.243 1.329 -0.801 1.00 0.00 C ATOM 0 H ILE A 40 7.328 4.314 -0.071 1.00 0.00 H new ATOM 0 HA ILE A 40 4.937 5.515 -0.691 1.00 0.00 H new ATOM 0 HB ILE A 40 5.452 3.163 1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.822 3.171 -1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.448 3.055 -1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.171 2.453 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.172 4.025 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.953 3.956 -0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.573 0.844 -1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.846 0.973 0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.195 1.090 -0.620 1.00 0.00 H new ATOM 675 N SER A 41 5.708 5.771 2.499 1.00 0.00 N ATOM 676 CA SER A 41 5.364 6.445 3.746 1.00 0.00 C ATOM 677 C SER A 41 5.208 7.947 3.527 1.00 0.00 C ATOM 678 O SER A 41 4.460 8.615 4.240 1.00 0.00 O ATOM 679 CB SER A 41 6.436 6.181 4.805 1.00 0.00 C ATOM 680 OG SER A 41 6.528 7.262 5.718 1.00 0.00 O ATOM 0 H SER A 41 6.593 5.264 2.524 1.00 0.00 H new ATOM 0 HA SER A 41 4.412 6.046 4.095 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.200 5.264 5.345 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.400 6.027 4.321 1.00 0.00 H new ATOM 0 HG SER A 41 5.716 7.297 6.266 1.00 0.00 H new ATOM 686 N ALA A 42 5.921 8.471 2.535 1.00 0.00 N ATOM 687 CA ALA A 42 5.861 9.893 2.220 1.00 0.00 C ATOM 688 C ALA A 42 4.786 10.179 1.177 1.00 0.00 C ATOM 689 O ALA A 42 4.265 11.291 1.098 1.00 0.00 O ATOM 690 CB ALA A 42 7.217 10.382 1.732 1.00 0.00 C ATOM 0 H ALA A 42 6.547 7.932 1.936 1.00 0.00 H new ATOM 0 HA ALA A 42 5.599 10.432 3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.158 11.445 1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.963 10.221 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.502 9.831 0.836 1.00 0.00 H new ATOM 696 N ALA A 43 4.460 9.168 0.377 1.00 0.00 N ATOM 697 CA ALA A 43 3.446 9.312 -0.660 1.00 0.00 C ATOM 698 C ALA A 43 2.042 9.250 -0.068 1.00 0.00 C ATOM 699 O ALA A 43 1.220 10.137 -0.299 1.00 0.00 O ATOM 700 CB ALA A 43 3.622 8.236 -1.722 1.00 0.00 C ATOM 0 H ALA A 43 4.883 8.241 0.428 1.00 0.00 H new ATOM 0 HA ALA A 43 3.572 10.290 -1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.858 8.355 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.609 8.329 -2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.525 7.252 -1.263 1.00 0.00 H new ATOM 706 N THR A 44 1.773 8.196 0.695 1.00 0.00 N ATOM 707 CA THR A 44 0.468 8.017 1.319 1.00 0.00 C ATOM 708 C THR A 44 0.470 8.528 2.755 1.00 0.00 C ATOM 709 O THR A 44 -0.488 8.319 3.500 1.00 0.00 O ATOM 710 CB THR A 44 0.041 6.537 1.313 1.00 0.00 C ATOM 711 OG1 THR A 44 0.903 5.775 2.165 1.00 0.00 O ATOM 712 CG2 THR A 44 0.080 5.968 -0.097 1.00 0.00 C ATOM 0 H THR A 44 2.442 7.453 0.896 1.00 0.00 H new ATOM 0 HA THR A 44 -0.245 8.596 0.732 1.00 0.00 H new ATOM 0 HB THR A 44 -0.982 6.475 1.684 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.832 5.885 1.873 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.225 4.922 -0.076 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.600 6.532 -0.736 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.093 6.042 -0.491 1.00 0.00 H new ATOM 720 N SER A 45 1.552 9.199 3.138 1.00 0.00 N ATOM 721 CA SER A 45 1.679 9.738 4.487 1.00 0.00 C ATOM 722 C SER A 45 1.404 8.659 5.531 1.00 0.00 C ATOM 723 O SER A 45 0.859 8.938 6.599 1.00 0.00 O ATOM 724 CB SER A 45 0.717 10.911 4.684 1.00 0.00 C ATOM 725 OG SER A 45 1.233 12.096 4.103 1.00 0.00 O ATOM 0 H SER A 45 2.353 9.382 2.533 1.00 0.00 H new ATOM 0 HA SER A 45 2.702 10.092 4.615 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.248 10.673 4.237 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.545 11.069 5.749 1.00 0.00 H new ATOM 0 HG SER A 45 0.599 12.831 4.241 1.00 0.00 H new ATOM 731 N LEU A 46 1.786 7.427 5.213 1.00 0.00 N ATOM 732 CA LEU A 46 1.582 6.305 6.123 1.00 0.00 C ATOM 733 C LEU A 46 2.897 5.879 6.766 1.00 0.00 C ATOM 734 O LEU A 46 3.973 6.289 6.332 1.00 0.00 O ATOM 735 CB LEU A 46 0.960 5.124 5.375 1.00 0.00 C ATOM 736 CG LEU A 46 -0.503 5.285 4.963 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.872 4.268 3.894 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.416 5.145 6.172 1.00 0.00 C ATOM 0 H LEU A 46 2.238 7.180 4.333 1.00 0.00 H new ATOM 0 HA LEU A 46 0.902 6.627 6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.550 4.936 4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.044 4.237 6.003 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.635 6.284 4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.917 4.398 3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.240 4.415 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.723 3.261 4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.454 5.262 5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.281 4.160 6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.169 5.912 6.906 1.00 0.00 H new ATOM 750 N SER A 47 2.803 5.052 7.802 1.00 0.00 N ATOM 751 CA SER A 47 3.985 4.571 8.507 1.00 0.00 C ATOM 752 C SER A 47 4.485 3.264 7.900 1.00 0.00 C ATOM 753 O SER A 47 3.713 2.501 7.320 1.00 0.00 O ATOM 754 CB SER A 47 3.674 4.371 9.991 1.00 0.00 C ATOM 755 OG SER A 47 4.829 4.575 10.787 1.00 0.00 O ATOM 0 H SER A 47 1.920 4.701 8.172 1.00 0.00 H new ATOM 0 HA SER A 47 4.769 5.322 8.406 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.890 5.064 10.298 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.291 3.364 10.153 1.00 0.00 H new ATOM 0 HG SER A 47 4.603 4.443 11.731 1.00 0.00 H new ATOM 761 N GLU A 48 5.784 3.013 8.037 1.00 0.00 N ATOM 762 CA GLU A 48 6.388 1.799 7.502 1.00 0.00 C ATOM 763 C GLU A 48 5.633 0.560 7.977 1.00 0.00 C ATOM 764 O GLU A 48 5.467 -0.403 7.229 1.00 0.00 O ATOM 765 CB GLU A 48 7.857 1.706 7.920 1.00 0.00 C ATOM 766 CG GLU A 48 8.649 2.973 7.646 1.00 0.00 C ATOM 767 CD GLU A 48 10.141 2.781 7.835 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.696 1.829 7.248 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.754 3.583 8.570 1.00 0.00 O ATOM 0 H GLU A 48 6.437 3.634 8.514 1.00 0.00 H new ATOM 0 HA GLU A 48 6.330 1.844 6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.909 1.478 8.985 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.324 0.874 7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.456 3.304 6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.301 3.765 8.310 1.00 0.00 H new ATOM 776 N ARG A 49 5.179 0.594 9.225 1.00 0.00 N ATOM 777 CA ARG A 49 4.444 -0.525 9.801 1.00 0.00 C ATOM 778 C ARG A 49 3.069 -0.664 9.154 1.00 0.00 C ATOM 779 O ARG A 49 2.684 -1.749 8.721 1.00 0.00 O ATOM 780 CB ARG A 49 4.291 -0.339 11.312 1.00 0.00 C ATOM 781 CG ARG A 49 3.666 -1.534 12.013 1.00 0.00 C ATOM 782 CD ARG A 49 4.608 -2.728 12.027 1.00 0.00 C ATOM 783 NE ARG A 49 5.668 -2.577 13.020 1.00 0.00 N ATOM 784 CZ ARG A 49 6.534 -3.538 13.323 1.00 0.00 C ATOM 785 NH1 ARG A 49 6.466 -4.712 12.711 1.00 0.00 N ATOM 786 NH2 ARG A 49 7.470 -3.325 14.238 1.00 0.00 N ATOM 0 H ARG A 49 5.307 1.384 9.857 1.00 0.00 H new ATOM 0 HA ARG A 49 5.011 -1.436 9.609 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.272 -0.146 11.747 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.679 0.543 11.501 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.407 -1.262 13.036 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.738 -1.807 11.511 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.041 -3.635 12.237 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.052 -2.851 11.039 1.00 0.00 H new ATOM 0 HE ARG A 49 5.748 -1.685 13.508 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.748 -4.879 12.006 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.132 -5.448 12.945 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.526 -2.423 14.710 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.134 -4.064 14.470 1.00 0.00 H new ATOM 800 N GLN A 50 2.335 0.443 9.092 1.00 0.00 N ATOM 801 CA GLN A 50 1.003 0.444 8.498 1.00 0.00 C ATOM 802 C GLN A 50 1.029 -0.174 7.104 1.00 0.00 C ATOM 803 O GLN A 50 0.297 -1.124 6.823 1.00 0.00 O ATOM 804 CB GLN A 50 0.455 1.870 8.427 1.00 0.00 C ATOM 805 CG GLN A 50 0.105 2.456 9.786 1.00 0.00 C ATOM 806 CD GLN A 50 -1.049 3.435 9.719 1.00 0.00 C ATOM 807 OE1 GLN A 50 -2.170 3.121 10.122 1.00 0.00 O ATOM 808 NE2 GLN A 50 -0.782 4.632 9.210 1.00 0.00 N ATOM 0 H GLN A 50 2.640 1.350 9.446 1.00 0.00 H new ATOM 0 HA GLN A 50 0.350 -0.157 9.130 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.193 2.510 7.944 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.435 1.878 7.797 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.149 1.648 10.472 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.980 2.959 10.197 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.161 4.850 8.888 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.520 5.333 9.141 1.00 0.00 H new ATOM 817 N ILE A 51 1.874 0.371 6.236 1.00 0.00 N ATOM 818 CA ILE A 51 1.994 -0.128 4.872 1.00 0.00 C ATOM 819 C ILE A 51 2.263 -1.628 4.856 1.00 0.00 C ATOM 820 O ILE A 51 1.707 -2.363 4.039 1.00 0.00 O ATOM 821 CB ILE A 51 3.120 0.592 4.106 1.00 0.00 C ATOM 822 CG1 ILE A 51 2.863 2.100 4.076 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.236 0.041 2.693 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.082 2.914 3.701 1.00 0.00 C ATOM 0 H ILE A 51 2.486 1.158 6.453 1.00 0.00 H new ATOM 0 HA ILE A 51 1.043 0.073 4.379 1.00 0.00 H new ATOM 0 HB ILE A 51 4.063 0.413 4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.063 2.310 3.366 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.510 2.420 5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.036 0.560 2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.461 -1.025 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.295 0.192 2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.826 3.973 3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.877 2.734 4.425 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.423 2.622 2.708 1.00 0.00 H new ATOM 836 N THR A 52 3.120 -2.080 5.767 1.00 0.00 N ATOM 837 CA THR A 52 3.463 -3.493 5.860 1.00 0.00 C ATOM 838 C THR A 52 2.233 -4.339 6.168 1.00 0.00 C ATOM 839 O THR A 52 1.979 -5.345 5.506 1.00 0.00 O ATOM 840 CB THR A 52 4.528 -3.743 6.944 1.00 0.00 C ATOM 841 OG1 THR A 52 5.714 -2.997 6.647 1.00 0.00 O ATOM 842 CG2 THR A 52 4.865 -5.223 7.042 1.00 0.00 C ATOM 0 H THR A 52 3.589 -1.487 6.451 1.00 0.00 H new ATOM 0 HA THR A 52 3.867 -3.784 4.890 1.00 0.00 H new ATOM 0 HB THR A 52 4.123 -3.415 7.901 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.698 -2.149 7.137 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.619 -5.374 7.814 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.966 -5.785 7.298 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.251 -5.572 6.084 1.00 0.00 H new ATOM 850 N ILE A 53 1.473 -3.923 7.175 1.00 0.00 N ATOM 851 CA ILE A 53 0.267 -4.642 7.569 1.00 0.00 C ATOM 852 C ILE A 53 -0.644 -4.885 6.371 1.00 0.00 C ATOM 853 O ILE A 53 -1.111 -6.003 6.150 1.00 0.00 O ATOM 854 CB ILE A 53 -0.518 -3.876 8.650 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.356 -3.657 9.887 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.787 -4.630 9.018 1.00 0.00 C ATOM 857 CD1 ILE A 53 -0.120 -2.525 10.770 1.00 0.00 C ATOM 0 H ILE A 53 1.670 -3.092 7.733 1.00 0.00 H new ATOM 0 HA ILE A 53 0.590 -5.600 7.977 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.801 -2.902 8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.382 -4.577 10.471 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.378 -3.453 9.568 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.331 -4.076 9.783 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.415 -4.739 8.134 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.526 -5.616 9.401 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.546 -2.427 11.627 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.119 -1.595 10.202 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.131 -2.736 11.119 1.00 0.00 H new ATOM 869 N TRP A 54 -0.892 -3.832 5.600 1.00 0.00 N ATOM 870 CA TRP A 54 -1.746 -3.932 4.422 1.00 0.00 C ATOM 871 C TRP A 54 -1.185 -4.940 3.426 1.00 0.00 C ATOM 872 O TRP A 54 -1.913 -5.791 2.914 1.00 0.00 O ATOM 873 CB TRP A 54 -1.890 -2.563 3.755 1.00 0.00 C ATOM 874 CG TRP A 54 -2.935 -2.533 2.680 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.236 -2.140 2.813 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.766 -2.913 1.310 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.886 -2.253 1.608 1.00 0.00 N ATOM 878 CE2 TRP A 54 -4.007 -2.724 0.670 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.688 -3.393 0.562 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -4.196 -3.000 -0.682 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.877 -3.666 -0.780 1.00 0.00 C ATOM 882 CH2 TRP A 54 -3.123 -3.468 -1.390 1.00 0.00 C ATOM 0 H TRP A 54 -0.514 -2.900 5.769 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.728 -4.277 4.744 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.138 -1.821 4.514 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.930 -2.272 3.327 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.687 -1.792 3.730 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.865 -2.023 1.439 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.724 -3.548 1.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.155 -2.850 -1.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.051 -4.038 -1.368 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.239 -3.689 -2.441 1.00 0.00 H new ATOM 893 N PHE A 55 0.112 -4.840 3.156 1.00 0.00 N ATOM 894 CA PHE A 55 0.770 -5.745 2.220 1.00 0.00 C ATOM 895 C PHE A 55 0.705 -7.185 2.719 1.00 0.00 C ATOM 896 O PHE A 55 0.649 -8.125 1.926 1.00 0.00 O ATOM 897 CB PHE A 55 2.228 -5.329 2.016 1.00 0.00 C ATOM 898 CG PHE A 55 2.429 -4.396 0.857 1.00 0.00 C ATOM 899 CD1 PHE A 55 1.919 -3.108 0.890 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.129 -4.806 -0.267 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.101 -2.248 -0.176 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.315 -3.950 -1.336 1.00 0.00 C ATOM 903 CZ PHE A 55 2.801 -2.669 -1.290 1.00 0.00 C ATOM 0 H PHE A 55 0.728 -4.142 3.572 1.00 0.00 H new ATOM 0 HA PHE A 55 0.246 -5.686 1.266 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.591 -4.850 2.925 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.834 -6.222 1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.373 -2.772 1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.534 -5.806 -0.308 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.696 -1.247 -0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.862 -4.282 -2.206 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.946 -1.998 -2.123 1.00 0.00 H new ATOM 913 N GLN A 56 0.714 -7.349 4.038 1.00 0.00 N ATOM 914 CA GLN A 56 0.657 -8.675 4.643 1.00 0.00 C ATOM 915 C GLN A 56 -0.750 -9.255 4.553 1.00 0.00 C ATOM 916 O GLN A 56 -0.945 -10.364 4.058 1.00 0.00 O ATOM 917 CB GLN A 56 1.103 -8.611 6.104 1.00 0.00 C ATOM 918 CG GLN A 56 2.604 -8.763 6.290 1.00 0.00 C ATOM 919 CD GLN A 56 3.085 -10.177 6.031 1.00 0.00 C ATOM 920 OE1 GLN A 56 2.295 -11.064 5.705 1.00 0.00 O ATOM 921 NE2 GLN A 56 4.387 -10.396 6.174 1.00 0.00 N ATOM 0 H GLN A 56 0.760 -6.581 4.708 1.00 0.00 H new ATOM 0 HA GLN A 56 1.334 -9.328 4.092 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.787 -7.659 6.530 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.595 -9.395 6.665 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.121 -8.079 5.617 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.871 -8.473 7.306 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.006 -9.632 6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.768 -11.328 6.012 1.00 0.00 H new ATOM 930 N ASN A 57 -1.729 -8.496 5.035 1.00 0.00 N ATOM 931 CA ASN A 57 -3.120 -8.935 5.010 1.00 0.00 C ATOM 932 C ASN A 57 -3.548 -9.305 3.593 1.00 0.00 C ATOM 933 O ASN A 57 -4.397 -10.175 3.398 1.00 0.00 O ATOM 934 CB ASN A 57 -4.033 -7.838 5.561 1.00 0.00 C ATOM 935 CG ASN A 57 -4.168 -7.901 7.070 1.00 0.00 C ATOM 936 OD1 ASN A 57 -4.408 -8.966 7.639 1.00 0.00 O ATOM 937 ND2 ASN A 57 -4.013 -6.757 7.726 1.00 0.00 N ATOM 0 H ASN A 57 -1.585 -7.574 5.447 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.207 -9.820 5.640 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.638 -6.863 5.275 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.020 -7.928 5.107 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.092 -6.737 8.743 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.815 -5.898 7.213 1.00 0.00 H new ATOM 944 N ARG A 58 -2.954 -8.639 2.608 1.00 0.00 N ATOM 945 CA ARG A 58 -3.274 -8.897 1.210 1.00 0.00 C ATOM 946 C ARG A 58 -2.853 -10.307 0.807 1.00 0.00 C ATOM 947 O ARG A 58 -3.586 -11.010 0.111 1.00 0.00 O ATOM 948 CB ARG A 58 -2.585 -7.871 0.309 1.00 0.00 C ATOM 949 CG ARG A 58 -3.353 -7.567 -0.967 1.00 0.00 C ATOM 950 CD ARG A 58 -4.698 -6.923 -0.668 1.00 0.00 C ATOM 951 NE ARG A 58 -5.335 -6.400 -1.874 1.00 0.00 N ATOM 952 CZ ARG A 58 -6.425 -5.642 -1.859 1.00 0.00 C ATOM 953 NH1 ARG A 58 -6.997 -5.319 -0.707 1.00 0.00 N ATOM 954 NH2 ARG A 58 -6.946 -5.206 -2.999 1.00 0.00 N ATOM 0 H ARG A 58 -2.249 -7.917 2.753 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.354 -8.810 1.089 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.445 -6.946 0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.593 -8.239 0.047 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.763 -6.903 -1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.506 -8.488 -1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.355 -7.656 -0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.561 -6.114 0.049 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.920 -6.630 -2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.600 -5.653 0.171 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.834 -4.736 -0.699 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.509 -5.453 -3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.783 -4.624 -2.987 1.00 0.00 H new ATOM 968 N ARG A 59 -1.667 -10.714 1.249 1.00 0.00 N ATOM 969 CA ARG A 59 -1.147 -12.039 0.933 1.00 0.00 C ATOM 970 C ARG A 59 -1.739 -13.092 1.866 1.00 0.00 C ATOM 971 O ARG A 59 -1.866 -14.260 1.499 1.00 0.00 O ATOM 972 CB ARG A 59 0.379 -12.050 1.037 1.00 0.00 C ATOM 973 CG ARG A 59 1.082 -11.803 -0.288 1.00 0.00 C ATOM 974 CD ARG A 59 1.511 -13.107 -0.942 1.00 0.00 C ATOM 975 NE ARG A 59 1.483 -13.023 -2.400 1.00 0.00 N ATOM 976 CZ ARG A 59 1.563 -14.082 -3.199 1.00 0.00 C ATOM 977 NH1 ARG A 59 1.675 -15.298 -2.683 1.00 0.00 N ATOM 978 NH2 ARG A 59 1.530 -13.924 -4.516 1.00 0.00 N ATOM 0 H ARG A 59 -1.048 -10.145 1.827 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.436 -12.281 -0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.691 -11.289 1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.701 -13.012 1.435 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.416 -11.260 -0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.955 -11.171 -0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.518 -13.364 -0.613 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.853 -13.911 -0.612 1.00 0.00 H new ATOM 0 HE ARG A 59 1.397 -12.101 -2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.700 -15.422 -1.671 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.736 -16.109 -3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.443 -12.990 -4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.591 -14.737 -5.129 1.00 0.00 H new ATOM 992 N VAL A 60 -2.098 -12.670 3.074 1.00 0.00 N ATOM 993 CA VAL A 60 -2.677 -13.575 4.059 1.00 0.00 C ATOM 994 C VAL A 60 -4.157 -13.813 3.784 1.00 0.00 C ATOM 995 O VAL A 60 -4.727 -14.816 4.216 1.00 0.00 O ATOM 996 CB VAL A 60 -2.514 -13.027 5.489 1.00 0.00 C ATOM 997 CG1 VAL A 60 -3.061 -14.017 6.506 1.00 0.00 C ATOM 998 CG2 VAL A 60 -1.053 -12.709 5.774 1.00 0.00 C ATOM 0 H VAL A 60 -1.998 -11.707 3.394 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.139 -14.519 3.976 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.086 -12.103 5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.937 -13.613 7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.120 -14.190 6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.519 -14.959 6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.956 -12.323 6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.457 -13.616 5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.699 -11.960 5.065 1.00 0.00 H new