USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 405 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 80:sc= -1.54 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -1.26 K(o=-1.3,f=-8!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 26 GLN : amide:sc= -0.0911 K(o=-0.091,f=-1.3!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 80:sc= -2.5 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.454 K(o=-0.45,f=-2.2) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0291 USER MOD Single : A 59 ASN : amide:sc= -2.15 K(o=-2.2,f=-9.8!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.239 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 55.190 7.670 -4.344 1.00 0.00 N ATOM 131 CA LYS A 10 54.978 6.192 -4.368 1.00 0.00 C ATOM 132 C LYS A 10 56.225 5.470 -3.847 1.00 0.00 C ATOM 133 O LYS A 10 57.153 6.089 -3.362 1.00 0.00 O ATOM 134 CB LYS A 10 54.730 5.848 -5.840 1.00 0.00 C ATOM 135 CG LYS A 10 53.258 6.107 -6.196 1.00 0.00 C ATOM 136 CD LYS A 10 53.159 7.266 -7.193 1.00 0.00 C ATOM 137 CE LYS A 10 53.524 8.577 -6.492 1.00 0.00 C ATOM 138 NZ LYS A 10 52.947 9.646 -7.353 1.00 0.00 N ATOM 0 HA LYS A 10 54.146 5.884 -3.734 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.379 6.449 -6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 10 54.980 4.803 -6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 10 52.815 5.208 -6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 10 52.693 6.342 -5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 10 53.829 7.093 -8.035 1.00 0.00 H new ATOM 0 HD3 LYS A 10 52.148 7.327 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 10 53.110 8.615 -5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 10 54.604 8.687 -6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 53.156 10.576 -6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 53.365 9.589 -8.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 51.917 9.520 -7.420 1.00 0.00 H new ATOM 152 N VAL A 11 56.249 4.165 -3.943 1.00 0.00 N ATOM 153 CA VAL A 11 57.430 3.385 -3.455 1.00 0.00 C ATOM 154 C VAL A 11 57.536 2.068 -4.222 1.00 0.00 C ATOM 155 O VAL A 11 56.577 1.604 -4.803 1.00 0.00 O ATOM 156 CB VAL A 11 57.194 3.123 -1.961 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.375 4.430 -1.190 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.783 2.570 -1.727 1.00 0.00 C ATOM 0 H VAL A 11 55.497 3.602 -4.341 1.00 0.00 H new ATOM 0 HA VAL A 11 58.361 3.931 -3.610 1.00 0.00 H new ATOM 0 HB VAL A 11 57.914 2.384 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.209 4.252 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.387 4.804 -1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.658 5.167 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.634 2.391 -0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.046 3.292 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.664 1.634 -2.273 1.00 0.00 H new ATOM 168 N VAL A 12 58.698 1.473 -4.232 1.00 0.00 N ATOM 169 CA VAL A 12 58.886 0.193 -4.974 1.00 0.00 C ATOM 170 C VAL A 12 58.806 -0.992 -3.982 1.00 0.00 C ATOM 171 O VAL A 12 58.668 -0.805 -2.789 1.00 0.00 O ATOM 172 CB VAL A 12 60.294 0.365 -5.624 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.174 -0.891 -5.520 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.128 0.714 -7.102 1.00 0.00 C ATOM 0 H VAL A 12 59.530 1.821 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 12 58.129 -0.019 -5.729 1.00 0.00 H new ATOM 0 HB VAL A 12 60.794 1.162 -5.073 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.138 -0.700 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.328 -1.142 -4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.682 -1.723 -6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.110 0.835 -7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.589 -0.087 -7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.567 1.644 -7.196 1.00 0.00 H new ATOM 184 N ALA A 13 58.911 -2.202 -4.475 1.00 0.00 N ATOM 185 CA ALA A 13 58.864 -3.402 -3.585 1.00 0.00 C ATOM 186 C ALA A 13 60.196 -4.156 -3.666 1.00 0.00 C ATOM 187 O ALA A 13 60.765 -4.303 -4.733 1.00 0.00 O ATOM 188 CB ALA A 13 57.732 -4.267 -4.141 1.00 0.00 C ATOM 0 H ALA A 13 59.028 -2.410 -5.467 1.00 0.00 H new ATOM 0 HA ALA A 13 58.699 -3.139 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.635 -5.170 -3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.797 -3.707 -4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.956 -4.541 -5.172 1.00 0.00 H new ATOM 194 N LEU A 14 60.699 -4.630 -2.553 1.00 0.00 N ATOM 195 CA LEU A 14 61.999 -5.371 -2.573 1.00 0.00 C ATOM 196 C LEU A 14 61.765 -6.879 -2.477 1.00 0.00 C ATOM 197 O LEU A 14 62.357 -7.653 -3.206 1.00 0.00 O ATOM 198 CB LEU A 14 62.768 -4.871 -1.351 1.00 0.00 C ATOM 199 CG LEU A 14 63.009 -3.364 -1.475 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.467 -2.806 -0.127 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.089 -3.106 -2.528 1.00 0.00 C ATOM 0 H LEU A 14 60.267 -4.536 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 14 62.547 -5.198 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.206 -5.086 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.720 -5.396 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 14 62.084 -2.872 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.638 -1.733 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.698 -2.989 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.392 -3.297 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.261 -2.033 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.014 -3.599 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.762 -3.502 -3.489 1.00 0.00 H new ATOM 213 N TYR A 15 60.914 -7.302 -1.580 1.00 0.00 N ATOM 214 CA TYR A 15 60.645 -8.766 -1.429 1.00 0.00 C ATOM 215 C TYR A 15 59.138 -9.039 -1.417 1.00 0.00 C ATOM 216 O TYR A 15 58.332 -8.128 -1.386 1.00 0.00 O ATOM 217 CB TYR A 15 61.265 -9.154 -0.086 1.00 0.00 C ATOM 218 CG TYR A 15 62.753 -8.896 -0.120 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.618 -9.860 -0.653 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.268 -7.695 0.382 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.997 -9.621 -0.684 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.646 -7.456 0.350 1.00 0.00 C ATOM 223 CZ TYR A 15 65.512 -8.419 -0.183 1.00 0.00 C ATOM 224 OH TYR A 15 66.871 -8.184 -0.214 1.00 0.00 O ATOM 0 H TYR A 15 60.392 -6.698 -0.944 1.00 0.00 H new ATOM 0 HA TYR A 15 61.064 -9.341 -2.255 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.805 -8.579 0.718 1.00 0.00 H new ATOM 0 HB3 TYR A 15 61.073 -10.206 0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 15 63.221 -10.787 -1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.601 -6.952 0.794 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.664 -10.364 -1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.042 -6.529 0.736 1.00 0.00 H new ATOM 0 HH TYR A 15 67.059 -7.303 0.171 1.00 0.00 H new ATOM 234 N ASP A 16 58.762 -10.290 -1.444 1.00 0.00 N ATOM 235 CA ASP A 16 57.310 -10.647 -1.438 1.00 0.00 C ATOM 236 C ASP A 16 56.731 -10.546 -0.023 1.00 0.00 C ATOM 237 O ASP A 16 57.435 -10.689 0.958 1.00 0.00 O ATOM 238 CB ASP A 16 57.253 -12.093 -1.936 1.00 0.00 C ATOM 239 CG ASP A 16 57.318 -12.109 -3.465 1.00 0.00 C ATOM 240 OD1 ASP A 16 56.344 -11.712 -4.084 1.00 0.00 O ATOM 241 OD2 ASP A 16 58.341 -12.518 -3.990 1.00 0.00 O ATOM 0 H ASP A 16 59.400 -11.085 -1.470 1.00 0.00 H new ATOM 0 HA ASP A 16 56.725 -9.973 -2.063 1.00 0.00 H new ATOM 0 HB2 ASP A 16 58.082 -12.665 -1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.334 -12.570 -1.595 1.00 0.00 H new ATOM 246 N TYR A 17 55.449 -10.298 0.079 1.00 0.00 N ATOM 247 CA TYR A 17 54.798 -10.180 1.418 1.00 0.00 C ATOM 248 C TYR A 17 53.272 -10.207 1.228 1.00 0.00 C ATOM 249 O TYR A 17 52.600 -9.200 1.341 1.00 0.00 O ATOM 250 CB TYR A 17 55.306 -8.834 1.973 1.00 0.00 C ATOM 251 CG TYR A 17 54.474 -8.370 3.151 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.565 -9.030 4.382 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.614 -7.275 3.006 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.797 -8.593 5.468 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.846 -6.838 4.091 1.00 0.00 C ATOM 256 CZ TYR A 17 52.937 -7.498 5.322 1.00 0.00 C ATOM 257 OH TYR A 17 52.181 -7.067 6.393 1.00 0.00 O ATOM 0 H TYR A 17 54.821 -10.171 -0.715 1.00 0.00 H new ATOM 0 HA TYR A 17 55.035 -10.991 2.107 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.347 -8.935 2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.277 -8.080 1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 17 55.227 -9.876 4.494 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.543 -6.767 2.056 1.00 0.00 H new ATOM 0 HE1 TYR A 17 53.868 -9.101 6.419 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.184 -5.992 3.979 1.00 0.00 H new ATOM 0 HH TYR A 17 52.735 -6.514 6.983 1.00 0.00 H new ATOM 267 N MET A 18 52.734 -11.362 0.927 1.00 0.00 N ATOM 268 CA MET A 18 51.257 -11.481 0.713 1.00 0.00 C ATOM 269 C MET A 18 50.486 -11.082 1.985 1.00 0.00 C ATOM 270 O MET A 18 51.046 -11.094 3.064 1.00 0.00 O ATOM 271 CB MET A 18 51.012 -12.956 0.370 1.00 0.00 C ATOM 272 CG MET A 18 51.489 -13.851 1.521 1.00 0.00 C ATOM 273 SD MET A 18 50.113 -14.170 2.653 1.00 0.00 S ATOM 274 CE MET A 18 49.593 -15.750 1.941 1.00 0.00 C ATOM 0 H MET A 18 53.255 -12.232 0.820 1.00 0.00 H new ATOM 0 HA MET A 18 50.910 -10.818 -0.080 1.00 0.00 H new ATOM 0 HB2 MET A 18 49.951 -13.123 0.185 1.00 0.00 H new ATOM 0 HB3 MET A 18 51.540 -13.217 -0.547 1.00 0.00 H new ATOM 0 HG2 MET A 18 51.875 -14.791 1.128 1.00 0.00 H new ATOM 0 HG3 MET A 18 52.308 -13.369 2.055 1.00 0.00 H new ATOM 0 HE1 MET A 18 48.739 -16.136 2.497 1.00 0.00 H new ATOM 0 HE2 MET A 18 49.311 -15.604 0.898 1.00 0.00 H new ATOM 0 HE3 MET A 18 50.415 -16.463 1.998 1.00 0.00 H new ATOM 284 N PRO A 19 49.217 -10.735 1.830 1.00 0.00 N ATOM 285 CA PRO A 19 48.397 -10.334 2.999 1.00 0.00 C ATOM 286 C PRO A 19 48.164 -11.531 3.926 1.00 0.00 C ATOM 287 O PRO A 19 47.787 -12.601 3.488 1.00 0.00 O ATOM 288 CB PRO A 19 47.085 -9.877 2.349 1.00 0.00 C ATOM 289 CG PRO A 19 47.206 -10.039 0.822 1.00 0.00 C ATOM 290 CD PRO A 19 48.537 -10.720 0.505 1.00 0.00 C ATOM 0 HA PRO A 19 48.860 -9.565 3.618 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.251 -10.468 2.726 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.880 -8.837 2.603 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.377 -10.633 0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.154 -9.066 0.334 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.394 -11.726 0.111 1.00 0.00 H new ATOM 0 HD3 PRO A 19 49.109 -10.165 -0.238 1.00 0.00 H new ATOM 298 N MET A 20 48.379 -11.353 5.205 1.00 0.00 N ATOM 299 CA MET A 20 48.166 -12.476 6.169 1.00 0.00 C ATOM 300 C MET A 20 46.670 -12.683 6.400 1.00 0.00 C ATOM 301 O MET A 20 46.158 -13.781 6.281 1.00 0.00 O ATOM 302 CB MET A 20 48.849 -12.034 7.466 1.00 0.00 C ATOM 303 CG MET A 20 50.336 -11.791 7.205 1.00 0.00 C ATOM 304 SD MET A 20 51.284 -12.159 8.703 1.00 0.00 S ATOM 305 CE MET A 20 52.162 -10.581 8.809 1.00 0.00 C ATOM 0 H MET A 20 48.693 -10.478 5.624 1.00 0.00 H new ATOM 0 HA MET A 20 48.573 -13.418 5.801 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.382 -11.124 7.843 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.724 -12.798 8.233 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.678 -12.419 6.382 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.498 -10.756 6.905 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.818 -10.587 9.680 1.00 0.00 H new ATOM 0 HE2 MET A 20 52.757 -10.434 7.908 1.00 0.00 H new ATOM 0 HE3 MET A 20 51.441 -9.769 8.904 1.00 0.00 H new ATOM 315 N ASN A 21 45.968 -11.630 6.732 1.00 0.00 N ATOM 316 CA ASN A 21 44.500 -11.747 6.976 1.00 0.00 C ATOM 317 C ASN A 21 43.733 -10.766 6.088 1.00 0.00 C ATOM 318 O ASN A 21 42.856 -11.150 5.336 1.00 0.00 O ATOM 319 CB ASN A 21 44.314 -11.391 8.452 1.00 0.00 C ATOM 320 CG ASN A 21 44.815 -12.545 9.322 1.00 0.00 C ATOM 321 OD1 ASN A 21 45.757 -13.224 8.968 1.00 0.00 O ATOM 322 ND2 ASN A 21 44.220 -12.796 10.457 1.00 0.00 N ATOM 0 H ASN A 21 46.350 -10.691 6.845 1.00 0.00 H new ATOM 0 HA ASN A 21 44.123 -12.743 6.745 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.861 -10.479 8.689 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.262 -11.195 8.660 1.00 0.00 H new ATOM 0 HD21 ASN A 21 44.547 -13.562 11.046 1.00 0.00 H new ATOM 0 HD22 ASN A 21 43.428 -12.226 10.755 1.00 0.00 H new ATOM 329 N ALA A 22 44.058 -9.505 6.174 1.00 0.00 N ATOM 330 CA ALA A 22 43.356 -8.479 5.340 1.00 0.00 C ATOM 331 C ALA A 22 44.081 -7.134 5.425 1.00 0.00 C ATOM 332 O ALA A 22 44.207 -6.424 4.445 1.00 0.00 O ATOM 333 CB ALA A 22 41.953 -8.369 5.940 1.00 0.00 C ATOM 0 H ALA A 22 44.783 -9.136 6.789 1.00 0.00 H new ATOM 0 HA ALA A 22 43.329 -8.757 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.375 -7.633 5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.457 -9.338 5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 22 42.026 -8.057 6.982 1.00 0.00 H new ATOM 339 N ASN A 23 44.555 -6.782 6.591 1.00 0.00 N ATOM 340 CA ASN A 23 45.274 -5.482 6.757 1.00 0.00 C ATOM 341 C ASN A 23 46.494 -5.405 5.856 1.00 0.00 C ATOM 342 O ASN A 23 46.627 -4.515 5.039 1.00 0.00 O ATOM 343 CB ASN A 23 45.743 -5.454 8.204 1.00 0.00 C ATOM 344 CG ASN A 23 44.698 -4.760 9.078 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.353 -3.620 8.842 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.176 -5.404 10.085 1.00 0.00 N ATOM 0 H ASN A 23 44.475 -7.341 7.440 1.00 0.00 H new ATOM 0 HA ASN A 23 44.618 -4.650 6.500 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.911 -6.470 8.561 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.696 -4.930 8.276 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.478 -4.950 10.674 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.466 -6.362 10.283 1.00 0.00 H new ATOM 353 N ASP A 24 47.409 -6.315 6.044 1.00 0.00 N ATOM 354 CA ASP A 24 48.676 -6.306 5.253 1.00 0.00 C ATOM 355 C ASP A 24 48.409 -6.125 3.749 1.00 0.00 C ATOM 356 O ASP A 24 47.554 -6.776 3.180 1.00 0.00 O ATOM 357 CB ASP A 24 49.328 -7.664 5.523 1.00 0.00 C ATOM 358 CG ASP A 24 49.617 -7.805 7.020 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.030 -6.826 7.619 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.417 -8.889 7.542 1.00 0.00 O ATOM 0 H ASP A 24 47.333 -7.075 6.720 1.00 0.00 H new ATOM 0 HA ASP A 24 49.316 -5.473 5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.670 -8.467 5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.253 -7.755 4.953 1.00 0.00 H new ATOM 365 N LEU A 25 49.137 -5.242 3.113 1.00 0.00 N ATOM 366 CA LEU A 25 48.936 -5.008 1.652 1.00 0.00 C ATOM 367 C LEU A 25 49.724 -6.048 0.844 1.00 0.00 C ATOM 368 O LEU A 25 50.868 -6.337 1.139 1.00 0.00 O ATOM 369 CB LEU A 25 49.466 -3.589 1.401 1.00 0.00 C ATOM 370 CG LEU A 25 48.986 -3.100 0.028 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.580 -2.507 0.153 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.937 -2.024 -0.502 1.00 0.00 C ATOM 0 H LEU A 25 49.864 -4.672 3.545 1.00 0.00 H new ATOM 0 HA LEU A 25 47.893 -5.102 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.115 -2.915 2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.555 -3.584 1.441 1.00 0.00 H new ATOM 0 HG LEU A 25 48.969 -3.944 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.243 -2.161 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.895 -3.270 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.600 -1.668 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.591 -1.681 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.959 -1.184 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.940 -2.440 -0.599 1.00 0.00 H new ATOM 384 N GLN A 26 49.109 -6.621 -0.162 1.00 0.00 N ATOM 385 CA GLN A 26 49.809 -7.659 -0.988 1.00 0.00 C ATOM 386 C GLN A 26 50.992 -7.046 -1.737 1.00 0.00 C ATOM 387 O GLN A 26 50.842 -6.477 -2.801 1.00 0.00 O ATOM 388 CB GLN A 26 48.756 -8.169 -1.973 1.00 0.00 C ATOM 389 CG GLN A 26 49.319 -9.361 -2.751 1.00 0.00 C ATOM 390 CD GLN A 26 48.175 -10.113 -3.432 1.00 0.00 C ATOM 391 OE1 GLN A 26 47.100 -10.239 -2.878 1.00 0.00 O ATOM 392 NE2 GLN A 26 48.360 -10.622 -4.619 1.00 0.00 N ATOM 0 H GLN A 26 48.152 -6.416 -0.448 1.00 0.00 H new ATOM 0 HA GLN A 26 50.212 -8.462 -0.371 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.854 -8.464 -1.437 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.471 -7.373 -2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 26 50.036 -9.016 -3.496 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.856 -10.028 -2.077 1.00 0.00 H new ATOM 0 HE21 GLN A 26 49.262 -10.517 -5.084 1.00 0.00 H new ATOM 0 HE22 GLN A 26 47.603 -11.125 -5.082 1.00 0.00 H new ATOM 401 N LEU A 27 52.165 -7.163 -1.179 1.00 0.00 N ATOM 402 CA LEU A 27 53.379 -6.597 -1.830 1.00 0.00 C ATOM 403 C LEU A 27 54.031 -7.611 -2.767 1.00 0.00 C ATOM 404 O LEU A 27 53.460 -8.629 -3.106 1.00 0.00 O ATOM 405 CB LEU A 27 54.310 -6.276 -0.653 1.00 0.00 C ATOM 406 CG LEU A 27 54.138 -4.838 -0.118 1.00 0.00 C ATOM 407 CD1 LEU A 27 55.235 -3.943 -0.692 1.00 0.00 C ATOM 408 CD2 LEU A 27 52.756 -4.236 -0.451 1.00 0.00 C ATOM 0 H LEU A 27 52.336 -7.632 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 27 53.151 -5.727 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.121 -6.983 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.344 -6.419 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 27 54.214 -4.889 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 27 55.112 -2.928 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 27 56.211 -4.326 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 27 55.166 -3.935 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 27 52.694 -3.224 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 27 52.623 -4.206 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 27 51.974 -4.852 -0.006 1.00 0.00 H new ATOM 420 N ARG A 28 55.228 -7.314 -3.190 1.00 0.00 N ATOM 421 CA ARG A 28 55.964 -8.221 -4.123 1.00 0.00 C ATOM 422 C ARG A 28 57.390 -7.705 -4.319 1.00 0.00 C ATOM 423 O ARG A 28 57.893 -6.936 -3.521 1.00 0.00 O ATOM 424 CB ARG A 28 55.189 -8.161 -5.445 1.00 0.00 C ATOM 425 CG ARG A 28 55.113 -9.561 -6.060 1.00 0.00 C ATOM 426 CD ARG A 28 54.636 -9.457 -7.510 1.00 0.00 C ATOM 427 NE ARG A 28 53.754 -10.640 -7.709 1.00 0.00 N ATOM 428 CZ ARG A 28 52.540 -10.480 -8.163 1.00 0.00 C ATOM 429 NH1 ARG A 28 51.716 -9.676 -7.551 1.00 0.00 N ATOM 430 NH2 ARG A 28 52.153 -11.125 -9.230 1.00 0.00 N ATOM 0 H ARG A 28 55.737 -6.470 -2.927 1.00 0.00 H new ATOM 0 HA ARG A 28 56.032 -9.241 -3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 28 54.185 -7.774 -5.272 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.681 -7.476 -6.136 1.00 0.00 H new ATOM 0 HG2 ARG A 28 56.091 -10.040 -6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.429 -10.186 -5.485 1.00 0.00 H new ATOM 0 HD2 ARG A 28 54.094 -8.527 -7.682 1.00 0.00 H new ATOM 0 HD3 ARG A 28 55.476 -9.469 -8.204 1.00 0.00 H new ATOM 0 HE ARG A 28 54.098 -11.575 -7.491 1.00 0.00 H new ATOM 0 HH11 ARG A 28 52.020 -9.172 -6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 28 50.768 -9.551 -7.905 1.00 0.00 H new ATOM 0 HH21 ARG A 28 52.799 -11.753 -9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 28 51.205 -11.001 -9.585 1.00 0.00 H new ATOM 444 N LYS A 29 58.041 -8.117 -5.375 1.00 0.00 N ATOM 445 CA LYS A 29 59.429 -7.651 -5.630 1.00 0.00 C ATOM 446 C LYS A 29 59.537 -7.037 -7.028 1.00 0.00 C ATOM 447 O LYS A 29 59.210 -7.661 -8.020 1.00 0.00 O ATOM 448 CB LYS A 29 60.301 -8.904 -5.502 1.00 0.00 C ATOM 449 CG LYS A 29 61.769 -8.539 -5.735 1.00 0.00 C ATOM 450 CD LYS A 29 62.120 -8.751 -7.210 1.00 0.00 C ATOM 451 CE LYS A 29 63.624 -8.994 -7.347 1.00 0.00 C ATOM 452 NZ LYS A 29 63.880 -8.998 -8.815 1.00 0.00 N ATOM 0 H LYS A 29 57.666 -8.759 -6.073 1.00 0.00 H new ATOM 0 HA LYS A 29 59.741 -6.875 -4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.179 -9.344 -4.512 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.984 -9.655 -6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.946 -7.501 -5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.412 -9.154 -5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 29 61.566 -9.601 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.827 -7.878 -7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 29 64.197 -8.213 -6.848 1.00 0.00 H new ATOM 0 HE3 LYS A 29 63.914 -9.941 -6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 64.892 -9.159 -8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.326 -9.756 -9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 63.601 -8.081 -9.219 1.00 0.00 H new ATOM 466 N GLY A 30 59.989 -5.811 -7.103 1.00 0.00 N ATOM 467 CA GLY A 30 60.118 -5.131 -8.424 1.00 0.00 C ATOM 468 C GLY A 30 58.884 -4.260 -8.673 1.00 0.00 C ATOM 469 O GLY A 30 58.943 -3.291 -9.407 1.00 0.00 O ATOM 0 H GLY A 30 60.275 -5.250 -6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 30 61.019 -4.518 -8.443 1.00 0.00 H new ATOM 0 HA3 GLY A 30 60.220 -5.871 -9.218 1.00 0.00 H new ATOM 473 N ASP A 31 57.770 -4.593 -8.066 1.00 0.00 N ATOM 474 CA ASP A 31 56.535 -3.781 -8.264 1.00 0.00 C ATOM 475 C ASP A 31 56.602 -2.524 -7.396 1.00 0.00 C ATOM 476 O ASP A 31 57.528 -2.348 -6.632 1.00 0.00 O ATOM 477 CB ASP A 31 55.383 -4.683 -7.818 1.00 0.00 C ATOM 478 CG ASP A 31 54.900 -5.518 -9.006 1.00 0.00 C ATOM 479 OD1 ASP A 31 54.120 -5.001 -9.790 1.00 0.00 O ATOM 480 OD2 ASP A 31 55.316 -6.660 -9.111 1.00 0.00 O ATOM 0 H ASP A 31 57.666 -5.393 -7.442 1.00 0.00 H new ATOM 0 HA ASP A 31 56.411 -3.456 -9.297 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.711 -5.337 -7.010 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.564 -4.079 -7.427 1.00 0.00 H new ATOM 485 N GLU A 32 55.635 -1.649 -7.505 1.00 0.00 N ATOM 486 CA GLU A 32 55.653 -0.402 -6.675 1.00 0.00 C ATOM 487 C GLU A 32 54.228 -0.094 -6.204 1.00 0.00 C ATOM 488 O GLU A 32 53.274 -0.654 -6.709 1.00 0.00 O ATOM 489 CB GLU A 32 56.179 0.716 -7.589 1.00 0.00 C ATOM 490 CG GLU A 32 57.399 0.251 -8.395 1.00 0.00 C ATOM 491 CD GLU A 32 56.930 -0.388 -9.703 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.247 0.287 -10.456 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.261 -1.539 -9.930 1.00 0.00 O ATOM 0 H GLU A 32 54.835 -1.742 -8.131 1.00 0.00 H new ATOM 0 HA GLU A 32 56.283 -0.503 -5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.390 1.033 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.448 1.584 -6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.054 1.097 -8.605 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.980 -0.466 -7.815 1.00 0.00 H new ATOM 500 N TYR A 33 54.076 0.754 -5.215 1.00 0.00 N ATOM 501 CA TYR A 33 52.707 1.046 -4.689 1.00 0.00 C ATOM 502 C TYR A 33 52.498 2.543 -4.464 1.00 0.00 C ATOM 503 O TYR A 33 53.284 3.371 -4.884 1.00 0.00 O ATOM 504 CB TYR A 33 52.639 0.328 -3.338 1.00 0.00 C ATOM 505 CG TYR A 33 53.238 -1.052 -3.436 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.443 -2.143 -3.794 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.599 -1.224 -3.185 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.014 -3.413 -3.899 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.172 -2.488 -3.293 1.00 0.00 C ATOM 510 CZ TYR A 33 54.380 -3.585 -3.648 1.00 0.00 C ATOM 511 OH TYR A 33 54.950 -4.834 -3.759 1.00 0.00 O ATOM 0 H TYR A 33 54.836 1.253 -4.753 1.00 0.00 H new ATOM 0 HA TYR A 33 51.943 0.718 -5.394 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.172 0.908 -2.585 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.602 0.257 -3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.390 -2.005 -3.989 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.208 -0.377 -2.907 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.403 -4.260 -4.173 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.227 -2.622 -3.103 1.00 0.00 H new ATOM 0 HH TYR A 33 55.123 -5.032 -4.703 1.00 0.00 H new ATOM 521 N PHE A 34 51.434 2.879 -3.779 1.00 0.00 N ATOM 522 CA PHE A 34 51.136 4.309 -3.482 1.00 0.00 C ATOM 523 C PHE A 34 51.121 4.527 -1.969 1.00 0.00 C ATOM 524 O PHE A 34 50.435 3.834 -1.243 1.00 0.00 O ATOM 525 CB PHE A 34 49.749 4.558 -4.068 1.00 0.00 C ATOM 526 CG PHE A 34 49.882 5.037 -5.493 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.418 4.190 -6.469 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.469 6.330 -5.839 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.542 4.634 -7.791 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.593 6.774 -7.161 1.00 0.00 C ATOM 531 CZ PHE A 34 50.129 5.927 -8.137 1.00 0.00 C ATOM 0 H PHE A 34 50.753 2.215 -3.410 1.00 0.00 H new ATOM 0 HA PHE A 34 51.880 4.985 -3.903 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.159 3.642 -4.035 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.219 5.301 -3.472 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.736 3.193 -6.202 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.055 6.984 -5.086 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.956 3.980 -8.544 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.275 7.771 -7.428 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.224 6.270 -9.157 1.00 0.00 H new ATOM 541 N ILE A 35 51.878 5.479 -1.491 1.00 0.00 N ATOM 542 CA ILE A 35 51.922 5.737 -0.021 1.00 0.00 C ATOM 543 C ILE A 35 50.844 6.739 0.393 1.00 0.00 C ATOM 544 O ILE A 35 50.801 7.858 -0.083 1.00 0.00 O ATOM 545 CB ILE A 35 53.318 6.311 0.250 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.400 5.321 -0.211 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.488 6.584 1.749 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.234 3.972 0.502 1.00 0.00 C ATOM 0 H ILE A 35 52.468 6.090 -2.055 1.00 0.00 H new ATOM 0 HA ILE A 35 51.735 4.827 0.549 1.00 0.00 H new ATOM 0 HB ILE A 35 53.424 7.243 -0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.335 5.179 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.388 5.730 -0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.482 6.992 1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.735 7.301 2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.368 5.654 2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 35 55.008 3.284 0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.322 4.116 1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.253 3.557 0.271 1.00 0.00 H new ATOM 560 N LEU A 36 49.990 6.343 1.298 1.00 0.00 N ATOM 561 CA LEU A 36 48.921 7.258 1.786 1.00 0.00 C ATOM 562 C LEU A 36 49.290 7.769 3.182 1.00 0.00 C ATOM 563 O LEU A 36 48.903 8.850 3.582 1.00 0.00 O ATOM 564 CB LEU A 36 47.655 6.402 1.842 1.00 0.00 C ATOM 565 CG LEU A 36 47.008 6.355 0.458 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.749 5.344 -0.418 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.545 5.931 0.598 1.00 0.00 C ATOM 0 H LEU A 36 49.988 5.416 1.723 1.00 0.00 H new ATOM 0 HA LEU A 36 48.786 8.128 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 36 47.900 5.393 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 36 46.955 6.816 2.568 1.00 0.00 H new ATOM 0 HG LEU A 36 47.061 7.341 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.288 5.311 -1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 36 48.793 5.643 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.696 4.357 0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.080 5.896 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.495 4.944 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.016 6.650 1.224 1.00 0.00 H new ATOM 579 N GLU A 37 50.048 6.993 3.920 1.00 0.00 N ATOM 580 CA GLU A 37 50.463 7.417 5.287 1.00 0.00 C ATOM 581 C GLU A 37 51.969 7.692 5.313 1.00 0.00 C ATOM 582 O GLU A 37 52.603 7.805 4.282 1.00 0.00 O ATOM 583 CB GLU A 37 50.116 6.235 6.193 1.00 0.00 C ATOM 584 CG GLU A 37 49.662 6.754 7.560 1.00 0.00 C ATOM 585 CD GLU A 37 48.575 5.835 8.120 1.00 0.00 C ATOM 586 OE1 GLU A 37 47.441 5.963 7.689 1.00 0.00 O ATOM 587 OE2 GLU A 37 48.895 5.020 8.969 1.00 0.00 O ATOM 0 H GLU A 37 50.397 6.080 3.629 1.00 0.00 H new ATOM 0 HA GLU A 37 49.965 8.332 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.327 5.635 5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 37 50.983 5.585 6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 37 50.509 6.793 8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.281 7.771 7.466 1.00 0.00 H new ATOM 653 N PRO A 42 58.124 0.798 11.361 1.00 0.00 N ATOM 654 CA PRO A 42 58.581 -0.339 10.524 1.00 0.00 C ATOM 655 C PRO A 42 57.556 -0.676 9.435 1.00 0.00 C ATOM 656 O PRO A 42 57.878 -1.347 8.478 1.00 0.00 O ATOM 657 CB PRO A 42 58.709 -1.480 11.537 1.00 0.00 C ATOM 658 CG PRO A 42 58.316 -0.955 12.927 1.00 0.00 C ATOM 659 CD PRO A 42 57.975 0.529 12.820 1.00 0.00 C ATOM 0 HA PRO A 42 59.508 -0.133 9.989 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.065 -2.312 11.252 1.00 0.00 H new ATOM 0 HB3 PRO A 42 59.731 -1.859 11.552 1.00 0.00 H new ATOM 0 HG2 PRO A 42 57.461 -1.511 13.311 1.00 0.00 H new ATOM 0 HG3 PRO A 42 59.135 -1.103 13.631 1.00 0.00 H new ATOM 0 HD2 PRO A 42 56.964 0.738 13.168 1.00 0.00 H new ATOM 0 HD3 PRO A 42 58.650 1.143 13.416 1.00 0.00 H new ATOM 667 N TRP A 43 56.329 -0.232 9.578 1.00 0.00 N ATOM 668 CA TRP A 43 55.293 -0.543 8.554 1.00 0.00 C ATOM 669 C TRP A 43 54.666 0.748 8.009 1.00 0.00 C ATOM 670 O TRP A 43 55.007 1.839 8.425 1.00 0.00 O ATOM 671 CB TRP A 43 54.257 -1.364 9.311 1.00 0.00 C ATOM 672 CG TRP A 43 54.859 -2.659 9.740 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.394 -2.872 10.951 1.00 0.00 C ATOM 674 CD2 TRP A 43 54.996 -3.911 9.002 1.00 0.00 C ATOM 675 NE1 TRP A 43 55.855 -4.173 11.021 1.00 0.00 N ATOM 676 CE2 TRP A 43 55.633 -4.855 9.843 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.636 -4.316 7.704 1.00 0.00 C ATOM 678 CZ2 TRP A 43 55.901 -6.155 9.413 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.906 -5.624 7.269 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.537 -6.541 8.121 1.00 0.00 C ATOM 0 H TRP A 43 56.005 0.333 10.363 1.00 0.00 H new ATOM 0 HA TRP A 43 55.701 -1.073 7.693 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.904 -0.810 10.181 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.390 -1.547 8.677 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.455 -2.143 11.745 1.00 0.00 H new ATOM 0 HE1 TRP A 43 56.304 -4.579 11.842 1.00 0.00 H new ATOM 0 HE3 TRP A 43 54.150 -3.618 7.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 56.386 -6.858 10.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.625 -5.925 6.271 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.741 -7.545 7.779 1.00 0.00 H new ATOM 691 N TRP A 44 53.757 0.625 7.073 1.00 0.00 N ATOM 692 CA TRP A 44 53.102 1.829 6.478 1.00 0.00 C ATOM 693 C TRP A 44 51.614 1.571 6.221 1.00 0.00 C ATOM 694 O TRP A 44 51.054 0.574 6.627 1.00 0.00 O ATOM 695 CB TRP A 44 53.794 2.019 5.125 1.00 0.00 C ATOM 696 CG TRP A 44 54.973 2.942 5.196 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.329 3.750 6.232 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.945 3.173 4.148 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.482 4.435 5.879 1.00 0.00 N ATOM 700 CE2 TRP A 44 56.897 4.112 4.601 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.088 2.645 2.855 1.00 0.00 C ATOM 702 CZ2 TRP A 44 57.961 4.516 3.793 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.151 3.046 2.039 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.090 3.981 2.506 1.00 0.00 C ATOM 0 H TRP A 44 53.439 -0.267 6.693 1.00 0.00 H new ATOM 0 HA TRP A 44 53.184 2.691 7.140 1.00 0.00 H new ATOM 0 HB2 TRP A 44 54.121 1.049 4.751 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.074 2.412 4.407 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.802 3.842 7.170 1.00 0.00 H new ATOM 0 HE1 TRP A 44 56.964 5.096 6.488 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.372 1.924 2.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 58.679 5.236 4.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.250 2.635 1.045 1.00 0.00 H new ATOM 0 HH2 TRP A 44 58.910 4.286 1.873 1.00 0.00 H new ATOM 715 N ARG A 45 51.000 2.467 5.499 1.00 0.00 N ATOM 716 CA ARG A 45 49.569 2.319 5.123 1.00 0.00 C ATOM 717 C ARG A 45 49.444 2.786 3.670 1.00 0.00 C ATOM 718 O ARG A 45 48.890 3.827 3.383 1.00 0.00 O ATOM 719 CB ARG A 45 48.795 3.241 6.070 1.00 0.00 C ATOM 720 CG ARG A 45 47.973 2.401 7.050 1.00 0.00 C ATOM 721 CD ARG A 45 46.591 2.126 6.452 1.00 0.00 C ATOM 722 NE ARG A 45 45.887 3.438 6.492 1.00 0.00 N ATOM 723 CZ ARG A 45 44.583 3.477 6.533 1.00 0.00 C ATOM 724 NH1 ARG A 45 43.890 3.270 5.447 1.00 0.00 N ATOM 725 NH2 ARG A 45 43.973 3.725 7.660 1.00 0.00 N ATOM 0 H ARG A 45 51.443 3.315 5.146 1.00 0.00 H new ATOM 0 HA ARG A 45 49.189 1.300 5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 45 49.488 3.881 6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.138 3.897 5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 45 48.485 1.461 7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 45 47.872 2.926 8.000 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.670 1.751 5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.054 1.372 7.028 1.00 0.00 H new ATOM 0 HE ARG A 45 46.424 4.305 6.487 1.00 0.00 H new ATOM 0 HH11 ARG A 45 44.367 3.078 4.566 1.00 0.00 H new ATOM 0 HH12 ARG A 45 42.871 3.300 5.479 1.00 0.00 H new ATOM 0 HH21 ARG A 45 44.515 3.888 8.508 1.00 0.00 H new ATOM 0 HH22 ARG A 45 42.954 3.756 7.692 1.00 0.00 H new ATOM 739 N ALA A 46 50.002 2.028 2.762 1.00 0.00 N ATOM 740 CA ALA A 46 49.983 2.410 1.319 1.00 0.00 C ATOM 741 C ALA A 46 49.018 1.517 0.543 1.00 0.00 C ATOM 742 O ALA A 46 48.593 0.484 1.027 1.00 0.00 O ATOM 743 CB ALA A 46 51.430 2.186 0.844 1.00 0.00 C ATOM 0 H ALA A 46 50.477 1.148 2.963 1.00 0.00 H new ATOM 0 HA ALA A 46 49.649 3.436 1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.510 2.443 -0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.105 2.816 1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.701 1.140 0.984 1.00 0.00 H new ATOM 749 N ARG A 47 48.671 1.904 -0.660 1.00 0.00 N ATOM 750 CA ARG A 47 47.737 1.071 -1.470 1.00 0.00 C ATOM 751 C ARG A 47 48.479 0.435 -2.640 1.00 0.00 C ATOM 752 O ARG A 47 49.506 0.923 -3.070 1.00 0.00 O ATOM 753 CB ARG A 47 46.677 2.029 -1.999 1.00 0.00 C ATOM 754 CG ARG A 47 45.708 2.401 -0.882 1.00 0.00 C ATOM 755 CD ARG A 47 44.870 3.607 -1.312 1.00 0.00 C ATOM 756 NE ARG A 47 43.906 3.071 -2.314 1.00 0.00 N ATOM 757 CZ ARG A 47 42.836 3.755 -2.619 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.948 4.897 -3.241 1.00 0.00 N ATOM 759 NH2 ARG A 47 41.656 3.297 -2.303 1.00 0.00 N ATOM 0 H ARG A 47 48.995 2.759 -1.113 1.00 0.00 H new ATOM 0 HA ARG A 47 47.302 0.268 -0.875 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.151 2.927 -2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.135 1.566 -2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 47 45.058 1.556 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.259 2.634 0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.350 4.049 -0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.495 4.388 -1.745 1.00 0.00 H new ATOM 0 HE ARG A 47 44.082 2.171 -2.761 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.871 5.255 -3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.113 5.432 -3.480 1.00 0.00 H new ATOM 0 HH21 ARG A 47 41.569 2.404 -1.817 1.00 0.00 H new ATOM 0 HH22 ARG A 47 40.821 3.832 -2.541 1.00 0.00 H new ATOM 773 N ASP A 48 47.962 -0.645 -3.161 1.00 0.00 N ATOM 774 CA ASP A 48 48.630 -1.317 -4.308 1.00 0.00 C ATOM 775 C ASP A 48 47.978 -0.883 -5.631 1.00 0.00 C ATOM 776 O ASP A 48 47.457 0.210 -5.742 1.00 0.00 O ATOM 777 CB ASP A 48 48.439 -2.817 -4.042 1.00 0.00 C ATOM 778 CG ASP A 48 46.950 -3.189 -4.078 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.129 -2.318 -3.843 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.658 -4.344 -4.344 1.00 0.00 O ATOM 0 H ASP A 48 47.103 -1.091 -2.839 1.00 0.00 H new ATOM 0 HA ASP A 48 49.686 -1.060 -4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 48 48.982 -3.396 -4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 48 48.860 -3.076 -3.071 1.00 0.00 H new ATOM 785 N LYS A 49 48.008 -1.730 -6.633 1.00 0.00 N ATOM 786 CA LYS A 49 47.396 -1.368 -7.946 1.00 0.00 C ATOM 787 C LYS A 49 45.949 -1.863 -8.017 1.00 0.00 C ATOM 788 O LYS A 49 45.508 -2.374 -9.030 1.00 0.00 O ATOM 789 CB LYS A 49 48.257 -2.078 -8.993 1.00 0.00 C ATOM 790 CG LYS A 49 49.525 -1.259 -9.260 1.00 0.00 C ATOM 791 CD LYS A 49 49.848 -1.277 -10.759 1.00 0.00 C ATOM 792 CE LYS A 49 50.352 0.103 -11.195 1.00 0.00 C ATOM 793 NZ LYS A 49 51.831 -0.042 -11.293 1.00 0.00 N ATOM 0 H LYS A 49 48.431 -2.657 -6.595 1.00 0.00 H new ATOM 0 HA LYS A 49 47.367 -0.290 -8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 49 48.523 -3.075 -8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.693 -2.204 -9.917 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.384 -0.233 -8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.361 -1.670 -8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.604 -2.034 -10.969 1.00 0.00 H new ATOM 0 HD3 LYS A 49 48.959 -1.547 -11.329 1.00 0.00 H new ATOM 0 HE2 LYS A 49 49.920 0.397 -12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 49 50.077 0.871 -10.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 52.250 0.863 -11.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 52.215 -0.316 -10.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 52.062 -0.775 -11.994 1.00 0.00 H new ATOM 807 N ASN A 50 45.207 -1.706 -6.951 1.00 0.00 N ATOM 808 CA ASN A 50 43.789 -2.154 -6.945 1.00 0.00 C ATOM 809 C ASN A 50 42.939 -1.241 -6.051 1.00 0.00 C ATOM 810 O ASN A 50 41.857 -1.609 -5.632 1.00 0.00 O ATOM 811 CB ASN A 50 43.824 -3.576 -6.384 1.00 0.00 C ATOM 812 CG ASN A 50 43.997 -4.573 -7.530 1.00 0.00 C ATOM 813 OD1 ASN A 50 45.088 -4.750 -8.037 1.00 0.00 O ATOM 814 ND2 ASN A 50 42.962 -5.238 -7.964 1.00 0.00 N ATOM 0 H ASN A 50 45.528 -1.283 -6.080 1.00 0.00 H new ATOM 0 HA ASN A 50 43.344 -2.118 -7.940 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.644 -3.678 -5.673 1.00 0.00 H new ATOM 0 HB3 ASN A 50 42.903 -3.787 -5.841 1.00 0.00 H new ATOM 0 HD21 ASN A 50 43.068 -5.906 -8.728 1.00 0.00 H new ATOM 0 HD22 ASN A 50 42.046 -5.090 -7.539 1.00 0.00 H new ATOM 821 N GLY A 51 43.416 -0.053 -5.758 1.00 0.00 N ATOM 822 CA GLY A 51 42.636 0.885 -4.896 1.00 0.00 C ATOM 823 C GLY A 51 42.401 0.253 -3.522 1.00 0.00 C ATOM 824 O GLY A 51 41.405 0.513 -2.873 1.00 0.00 O ATOM 0 H GLY A 51 44.315 0.305 -6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.175 1.826 -4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.681 1.118 -5.367 1.00 0.00 H new ATOM 828 N GLN A 52 43.311 -0.576 -3.076 1.00 0.00 N ATOM 829 CA GLN A 52 43.146 -1.231 -1.745 1.00 0.00 C ATOM 830 C GLN A 52 44.265 -0.797 -0.794 1.00 0.00 C ATOM 831 O GLN A 52 45.436 -0.894 -1.115 1.00 0.00 O ATOM 832 CB GLN A 52 43.235 -2.730 -2.025 1.00 0.00 C ATOM 833 CG GLN A 52 41.839 -3.279 -2.328 1.00 0.00 C ATOM 834 CD GLN A 52 41.198 -3.783 -1.034 1.00 0.00 C ATOM 835 OE1 GLN A 52 41.343 -3.175 0.008 1.00 0.00 O ATOM 836 NE2 GLN A 52 40.488 -4.878 -1.056 1.00 0.00 N ATOM 0 H GLN A 52 44.162 -0.827 -3.578 1.00 0.00 H new ATOM 0 HA GLN A 52 42.204 -0.960 -1.269 1.00 0.00 H new ATOM 0 HB2 GLN A 52 43.900 -2.914 -2.869 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.661 -3.246 -1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.220 -2.501 -2.774 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.905 -4.090 -3.054 1.00 0.00 H new ATOM 0 HE21 GLN A 52 40.366 -5.389 -1.930 1.00 0.00 H new ATOM 0 HE22 GLN A 52 40.055 -5.223 -0.199 1.00 0.00 H new ATOM 845 N GLU A 53 43.907 -0.324 0.373 1.00 0.00 N ATOM 846 CA GLU A 53 44.937 0.118 1.364 1.00 0.00 C ATOM 847 C GLU A 53 45.375 -1.069 2.221 1.00 0.00 C ATOM 848 O GLU A 53 44.598 -1.970 2.479 1.00 0.00 O ATOM 849 CB GLU A 53 44.229 1.159 2.238 1.00 0.00 C ATOM 850 CG GLU A 53 43.757 2.333 1.377 1.00 0.00 C ATOM 851 CD GLU A 53 42.583 3.030 2.068 1.00 0.00 C ATOM 852 OE1 GLU A 53 41.489 2.491 2.023 1.00 0.00 O ATOM 853 OE2 GLU A 53 42.797 4.091 2.630 1.00 0.00 O ATOM 0 H GLU A 53 42.941 -0.224 0.684 1.00 0.00 H new ATOM 0 HA GLU A 53 45.827 0.523 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 53 43.378 0.703 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.907 1.516 3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 53 44.574 3.038 1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.455 1.977 0.392 1.00 0.00 H new ATOM 860 N GLY A 54 46.606 -1.079 2.670 1.00 0.00 N ATOM 861 CA GLY A 54 47.076 -2.213 3.517 1.00 0.00 C ATOM 862 C GLY A 54 48.351 -1.800 4.243 1.00 0.00 C ATOM 863 O GLY A 54 48.716 -0.639 4.247 1.00 0.00 O ATOM 0 H GLY A 54 47.300 -0.355 2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.306 -2.488 4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.263 -3.091 2.899 1.00 0.00 H new ATOM 867 N TYR A 55 49.032 -2.734 4.860 1.00 0.00 N ATOM 868 CA TYR A 55 50.283 -2.374 5.584 1.00 0.00 C ATOM 869 C TYR A 55 51.518 -2.819 4.802 1.00 0.00 C ATOM 870 O TYR A 55 51.539 -3.865 4.184 1.00 0.00 O ATOM 871 CB TYR A 55 50.197 -3.086 6.935 1.00 0.00 C ATOM 872 CG TYR A 55 49.523 -2.181 7.938 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.137 -1.989 7.886 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.283 -1.535 8.920 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.511 -1.150 8.816 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.658 -0.696 9.850 1.00 0.00 C ATOM 877 CZ TYR A 55 48.272 -0.503 9.798 1.00 0.00 C ATOM 878 OH TYR A 55 47.655 0.324 10.714 1.00 0.00 O ATOM 0 H TYR A 55 48.776 -3.721 4.892 1.00 0.00 H new ATOM 0 HA TYR A 55 50.378 -1.295 5.708 1.00 0.00 H new ATOM 0 HB2 TYR A 55 49.637 -4.015 6.833 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.195 -3.352 7.282 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.551 -2.488 7.129 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.352 -1.684 8.960 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.442 -1.002 8.776 1.00 0.00 H new ATOM 0 HE2 TYR A 55 50.245 -0.198 10.608 1.00 0.00 H new ATOM 0 HH TYR A 55 48.326 0.693 11.326 1.00 0.00 H new ATOM 888 N ILE A 56 52.539 -2.003 4.814 1.00 0.00 N ATOM 889 CA ILE A 56 53.788 -2.324 4.065 1.00 0.00 C ATOM 890 C ILE A 56 55.024 -2.036 4.950 1.00 0.00 C ATOM 891 O ILE A 56 55.117 -0.957 5.503 1.00 0.00 O ATOM 892 CB ILE A 56 53.749 -1.360 2.875 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.588 -1.744 1.966 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.052 -1.421 2.079 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.316 -1.042 2.428 1.00 0.00 C ATOM 0 H ILE A 56 52.560 -1.116 5.318 1.00 0.00 H new ATOM 0 HA ILE A 56 53.853 -3.369 3.763 1.00 0.00 H new ATOM 0 HB ILE A 56 53.621 -0.345 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.814 -1.467 0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.444 -2.824 1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.999 -0.727 1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.886 -1.146 2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.202 -2.433 1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.489 -1.320 1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.087 -1.341 3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.462 0.038 2.389 1.00 0.00 H new ATOM 907 N PRO A 57 55.953 -2.977 5.055 1.00 0.00 N ATOM 908 CA PRO A 57 57.163 -2.725 5.872 1.00 0.00 C ATOM 909 C PRO A 57 57.985 -1.598 5.229 1.00 0.00 C ATOM 910 O PRO A 57 58.306 -1.648 4.056 1.00 0.00 O ATOM 911 CB PRO A 57 57.897 -4.068 5.820 1.00 0.00 C ATOM 912 CG PRO A 57 57.069 -5.052 4.973 1.00 0.00 C ATOM 913 CD PRO A 57 55.862 -4.307 4.394 1.00 0.00 C ATOM 0 HA PRO A 57 56.962 -2.406 6.895 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.889 -3.940 5.387 1.00 0.00 H new ATOM 0 HB3 PRO A 57 58.037 -4.461 6.827 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.679 -5.465 4.170 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.737 -5.891 5.585 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.919 -4.225 3.309 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.924 -4.812 4.627 1.00 0.00 H new ATOM 921 N SER A 58 58.299 -0.572 5.979 1.00 0.00 N ATOM 922 CA SER A 58 59.072 0.583 5.411 1.00 0.00 C ATOM 923 C SER A 58 60.381 0.128 4.753 1.00 0.00 C ATOM 924 O SER A 58 60.841 0.731 3.802 1.00 0.00 O ATOM 925 CB SER A 58 59.370 1.488 6.607 1.00 0.00 C ATOM 926 OG SER A 58 60.401 0.904 7.392 1.00 0.00 O ATOM 0 H SER A 58 58.054 -0.481 6.965 1.00 0.00 H new ATOM 0 HA SER A 58 58.503 1.089 4.631 1.00 0.00 H new ATOM 0 HB2 SER A 58 59.675 2.476 6.263 1.00 0.00 H new ATOM 0 HB3 SER A 58 58.471 1.623 7.209 1.00 0.00 H new ATOM 0 HG SER A 58 60.596 1.482 8.159 1.00 0.00 H new ATOM 932 N ASN A 59 60.994 -0.911 5.260 1.00 0.00 N ATOM 933 CA ASN A 59 62.285 -1.384 4.672 1.00 0.00 C ATOM 934 C ASN A 59 62.043 -2.205 3.401 1.00 0.00 C ATOM 935 O ASN A 59 62.780 -2.115 2.438 1.00 0.00 O ATOM 936 CB ASN A 59 62.924 -2.234 5.781 1.00 0.00 C ATOM 937 CG ASN A 59 62.181 -3.565 5.964 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.970 -3.593 6.035 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.866 -4.673 6.046 1.00 0.00 N ATOM 0 H ASN A 59 60.657 -1.453 6.056 1.00 0.00 H new ATOM 0 HA ASN A 59 62.930 -0.560 4.368 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.968 -2.429 5.536 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.915 -1.678 6.719 1.00 0.00 H new ATOM 0 HD21 ASN A 59 62.383 -5.563 6.170 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.884 -4.649 5.986 1.00 0.00 H new ATOM 946 N TYR A 60 61.026 -3.015 3.416 1.00 0.00 N ATOM 947 CA TYR A 60 60.720 -3.879 2.230 1.00 0.00 C ATOM 948 C TYR A 60 60.475 -3.037 0.970 1.00 0.00 C ATOM 949 O TYR A 60 60.619 -3.525 -0.136 1.00 0.00 O ATOM 950 CB TYR A 60 59.451 -4.647 2.606 1.00 0.00 C ATOM 951 CG TYR A 60 59.812 -6.046 3.054 1.00 0.00 C ATOM 952 CD1 TYR A 60 60.739 -6.233 4.085 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.217 -7.153 2.437 1.00 0.00 C ATOM 954 CE1 TYR A 60 61.072 -7.529 4.500 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.551 -8.449 2.851 1.00 0.00 C ATOM 956 CZ TYR A 60 60.478 -8.636 3.883 1.00 0.00 C ATOM 957 OH TYR A 60 60.807 -9.912 4.292 1.00 0.00 O ATOM 0 H TYR A 60 60.384 -3.122 4.202 1.00 0.00 H new ATOM 0 HA TYR A 60 61.554 -4.542 2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.922 -4.125 3.403 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.776 -4.692 1.752 1.00 0.00 H new ATOM 0 HD1 TYR A 60 61.198 -5.379 4.561 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.501 -7.008 1.642 1.00 0.00 H new ATOM 0 HE1 TYR A 60 61.787 -7.674 5.296 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.094 -9.303 2.374 1.00 0.00 H new ATOM 0 HH TYR A 60 60.305 -10.565 3.762 1.00 0.00 H new ATOM 967 N VAL A 61 60.103 -1.789 1.116 1.00 0.00 N ATOM 968 CA VAL A 61 59.852 -0.943 -0.096 1.00 0.00 C ATOM 969 C VAL A 61 60.778 0.274 -0.118 1.00 0.00 C ATOM 970 O VAL A 61 61.316 0.682 0.892 1.00 0.00 O ATOM 971 CB VAL A 61 58.391 -0.493 -0.009 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.475 -1.714 -0.092 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.147 0.240 1.314 1.00 0.00 C ATOM 0 H VAL A 61 59.963 -1.322 2.012 1.00 0.00 H new ATOM 0 HA VAL A 61 60.046 -1.506 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 61 58.176 0.183 -0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.435 -1.394 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.640 -2.229 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.696 -2.391 0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.105 0.557 1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.366 -0.429 2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.795 1.114 1.370 1.00 0.00 H new ATOM 983 N THR A 62 60.950 0.856 -1.275 1.00 0.00 N ATOM 984 CA THR A 62 61.823 2.059 -1.402 1.00 0.00 C ATOM 985 C THR A 62 61.081 3.133 -2.221 1.00 0.00 C ATOM 986 O THR A 62 59.905 3.352 -2.013 1.00 0.00 O ATOM 987 CB THR A 62 63.090 1.553 -2.111 1.00 0.00 C ATOM 988 OG1 THR A 62 64.005 2.628 -2.263 1.00 0.00 O ATOM 989 CG2 THR A 62 62.733 0.988 -3.489 1.00 0.00 C ATOM 0 H THR A 62 60.519 0.546 -2.146 1.00 0.00 H new ATOM 0 HA THR A 62 62.078 2.520 -0.448 1.00 0.00 H new ATOM 0 HB THR A 62 63.544 0.764 -1.511 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.814 2.308 -2.713 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.638 0.633 -3.982 1.00 0.00 H new ATOM 0 HG22 THR A 62 62.034 0.160 -3.373 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.273 1.769 -4.094 1.00 0.00 H new ATOM 997 N GLU A 63 61.737 3.803 -3.141 1.00 0.00 N ATOM 998 CA GLU A 63 61.034 4.845 -3.950 1.00 0.00 C ATOM 999 C GLU A 63 60.400 4.212 -5.191 1.00 0.00 C ATOM 1000 O GLU A 63 60.944 3.298 -5.778 1.00 0.00 O ATOM 1001 CB GLU A 63 62.122 5.844 -4.347 1.00 0.00 C ATOM 1002 CG GLU A 63 62.497 6.699 -3.134 1.00 0.00 C ATOM 1003 CD GLU A 63 63.163 7.992 -3.608 1.00 0.00 C ATOM 1004 OE1 GLU A 63 62.605 8.639 -4.479 1.00 0.00 O ATOM 1005 OE2 GLU A 63 64.221 8.314 -3.091 1.00 0.00 O ATOM 0 H GLU A 63 62.724 3.672 -3.364 1.00 0.00 H new ATOM 0 HA GLU A 63 60.228 5.325 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.000 5.314 -4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 63 61.768 6.480 -5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.607 6.929 -2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 63 63.173 6.147 -2.482 1.00 0.00 H new ATOM 1012 N ALA A 64 59.247 4.692 -5.590 1.00 0.00 N ATOM 1013 CA ALA A 64 58.554 4.119 -6.790 1.00 0.00 C ATOM 1014 C ALA A 64 59.491 4.105 -8.006 1.00 0.00 C ATOM 1015 O ALA A 64 59.436 3.211 -8.830 1.00 0.00 O ATOM 1016 CB ALA A 64 57.362 5.044 -7.046 1.00 0.00 C ATOM 0 H ALA A 64 58.753 5.460 -5.135 1.00 0.00 H new ATOM 0 HA ALA A 64 58.244 3.088 -6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.805 4.688 -7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.711 5.048 -6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.721 6.056 -7.236 1.00 0.00 H new