USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 433 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 402 ASN : amide:sc= 0.326 K(o=0.38,f=-5!) USER MOD Set 1.2: A 405 LYS NZ :NH3+ -116:sc= 0.0505 (180deg=0) USER MOD Set 2.1: A 398 TYR OH : rot 30:sc= 0.613 USER MOD Set 2.2: A 410 TYR OH : rot 94:sc= 0.693 USER MOD Single : A 381 GLN : amide:sc= -0.0364 K(o=-0.036,f=-1.8!) USER MOD Single : A 389 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0627) USER MOD Single : A 390 ASN : amide:sc= 0.188 K(o=0.19,f=-4.3!) USER MOD Single : A 393 SER OG : rot 81:sc= 0.21 USER MOD Single : A 397 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 409 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-0.8) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 ASN : amide:sc= -0.0891 K(o=-0.089,f=-1.3) USER MOD Single : A 414 ASN : amide:sc= -0.0562 K(o=-0.056,f=-1) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0.373 USER MOD Single : A 417 SER OG : rot 180:sc= 0.039 USER MOD Single : A 419 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 421 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0165) USER MOD Single : A 426 THR OG1 : rot 83:sc= 0.202 USER MOD Single : A 427 MET CE :methyl 176:sc= -0.603 (180deg=-0.648) USER MOD Single : A 428 LYS NZ :NH3+ -167:sc= 1.16 (180deg=0.428) USER MOD Single : A 429 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0415) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 5.932 -20.153 13.506 1.00 0.00 N ATOM 72 CA GLN A 381 6.686 -21.238 12.892 1.00 0.00 C ATOM 73 C GLN A 381 6.784 -20.921 11.398 1.00 0.00 C ATOM 74 O GLN A 381 6.198 -21.605 10.559 1.00 0.00 O ATOM 75 CB GLN A 381 6.015 -22.590 13.181 1.00 0.00 C ATOM 76 CG GLN A 381 6.908 -23.778 12.792 1.00 0.00 C ATOM 77 CD GLN A 381 6.148 -25.098 12.896 1.00 0.00 C ATOM 78 OE1 GLN A 381 5.914 -25.769 11.893 1.00 0.00 O ATOM 79 NE2 GLN A 381 5.762 -25.478 14.114 1.00 0.00 N ATOM 0 HA GLN A 381 7.691 -21.319 13.306 1.00 0.00 H new ATOM 0 HB2 GLN A 381 5.772 -22.653 14.242 1.00 0.00 H new ATOM 0 HB3 GLN A 381 5.074 -22.651 12.634 1.00 0.00 H new ATOM 0 HG2 GLN A 381 7.272 -23.644 11.773 1.00 0.00 H new ATOM 0 HG3 GLN A 381 7.783 -23.807 13.442 1.00 0.00 H new ATOM 0 HE21 GLN A 381 5.975 -24.893 14.922 1.00 0.00 H new ATOM 0 HE22 GLN A 381 5.253 -26.353 14.238 1.00 0.00 H new ATOM 88 N ALA A 382 7.530 -19.861 11.069 1.00 0.00 N ATOM 89 CA ALA A 382 7.723 -19.413 9.697 1.00 0.00 C ATOM 90 C ALA A 382 8.326 -20.524 8.836 1.00 0.00 C ATOM 91 O ALA A 382 9.119 -21.330 9.321 1.00 0.00 O ATOM 92 CB ALA A 382 8.603 -18.162 9.669 1.00 0.00 C ATOM 0 H ALA A 382 8.019 -19.289 11.758 1.00 0.00 H new ATOM 0 HA ALA A 382 6.749 -19.161 9.277 1.00 0.00 H new ATOM 0 HB1 ALA A 382 8.740 -17.837 8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 382 8.123 -17.367 10.240 1.00 0.00 H new ATOM 0 HB3 ALA A 382 9.574 -18.390 10.110 1.00 0.00 H new ATOM 98 N TRP A 383 7.937 -20.564 7.560 1.00 0.00 N ATOM 99 CA TRP A 383 8.405 -21.561 6.607 1.00 0.00 C ATOM 100 C TRP A 383 9.838 -21.277 6.137 1.00 0.00 C ATOM 101 O TRP A 383 10.324 -20.151 6.232 1.00 0.00 O ATOM 102 CB TRP A 383 7.421 -21.631 5.433 1.00 0.00 C ATOM 103 CG TRP A 383 6.102 -22.282 5.739 1.00 0.00 C ATOM 104 CD1 TRP A 383 5.160 -21.825 6.596 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.564 -23.521 5.192 1.00 0.00 C ATOM 106 NE1 TRP A 383 4.083 -22.688 6.620 1.00 0.00 N ATOM 107 CE2 TRP A 383 4.281 -23.757 5.769 1.00 0.00 C ATOM 108 CE3 TRP A 383 6.033 -24.473 4.263 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.511 -24.884 5.434 1.00 0.00 C ATOM 110 CZ3 TRP A 383 5.265 -25.603 3.927 1.00 0.00 C ATOM 111 CH2 TRP A 383 4.007 -25.806 4.515 1.00 0.00 C ATOM 0 H TRP A 383 7.280 -19.895 7.159 1.00 0.00 H new ATOM 0 HA TRP A 383 8.439 -22.533 7.099 1.00 0.00 H new ATOM 0 HB2 TRP A 383 7.234 -20.618 5.077 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.895 -22.174 4.615 1.00 0.00 H new ATOM 0 HD1 TRP A 383 5.239 -20.918 7.176 1.00 0.00 H new ATOM 0 HE1 TRP A 383 3.249 -22.553 7.192 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.999 -24.332 3.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.542 -25.034 5.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.646 -26.318 3.213 1.00 0.00 H new ATOM 0 HH2 TRP A 383 3.424 -26.677 4.255 1.00 0.00 H new ATOM 122 N LEU A 384 10.503 -22.321 5.626 1.00 0.00 N ATOM 123 CA LEU A 384 11.866 -22.312 5.101 1.00 0.00 C ATOM 124 C LEU A 384 11.860 -23.151 3.820 1.00 0.00 C ATOM 125 O LEU A 384 10.982 -23.997 3.666 1.00 0.00 O ATOM 126 CB LEU A 384 12.810 -22.895 6.167 1.00 0.00 C ATOM 127 CG LEU A 384 14.293 -22.978 5.757 1.00 0.00 C ATOM 128 CD1 LEU A 384 14.894 -21.596 5.475 1.00 0.00 C ATOM 129 CD2 LEU A 384 15.087 -23.647 6.884 1.00 0.00 C ATOM 0 H LEU A 384 10.076 -23.245 5.566 1.00 0.00 H new ATOM 0 HA LEU A 384 12.215 -21.306 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 384 12.733 -22.288 7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 384 12.465 -23.896 6.426 1.00 0.00 H new ATOM 0 HG LEU A 384 14.352 -23.561 4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 384 15.940 -21.706 5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 384 14.345 -21.119 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 384 14.825 -20.979 6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 384 16.138 -23.709 6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 384 14.991 -23.058 7.796 1.00 0.00 H new ATOM 0 HD23 LEU A 384 14.698 -24.650 7.057 1.00 0.00 H new ATOM 141 N TRP A 385 12.811 -22.929 2.900 1.00 0.00 N ATOM 142 CA TRP A 385 12.870 -23.657 1.634 1.00 0.00 C ATOM 143 C TRP A 385 12.847 -25.169 1.763 1.00 0.00 C ATOM 144 O TRP A 385 12.489 -25.806 0.789 1.00 0.00 O ATOM 145 CB TRP A 385 14.052 -23.257 0.754 1.00 0.00 C ATOM 146 CG TRP A 385 15.386 -23.309 1.415 1.00 0.00 C ATOM 147 CD1 TRP A 385 16.034 -22.202 1.793 1.00 0.00 C ATOM 148 CD2 TRP A 385 16.245 -24.427 1.794 1.00 0.00 C ATOM 149 NE1 TRP A 385 17.235 -22.524 2.388 1.00 0.00 N ATOM 150 CE2 TRP A 385 17.415 -23.894 2.415 1.00 0.00 C ATOM 151 CE3 TRP A 385 16.166 -25.833 1.679 1.00 0.00 C ATOM 152 CZ2 TRP A 385 18.444 -24.714 2.901 1.00 0.00 C ATOM 153 CZ3 TRP A 385 17.192 -26.664 2.166 1.00 0.00 C ATOM 154 CH2 TRP A 385 18.329 -26.107 2.776 1.00 0.00 C ATOM 0 H TRP A 385 13.556 -22.242 3.017 1.00 0.00 H new ATOM 0 HA TRP A 385 11.942 -23.352 1.150 1.00 0.00 H new ATOM 0 HB2 TRP A 385 14.072 -23.911 -0.118 1.00 0.00 H new ATOM 0 HB3 TRP A 385 13.885 -22.244 0.389 1.00 0.00 H new ATOM 0 HD1 TRP A 385 15.667 -21.196 1.652 1.00 0.00 H new ATOM 0 HE1 TRP A 385 17.900 -21.844 2.758 1.00 0.00 H new ATOM 0 HE3 TRP A 385 15.302 -26.278 1.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 19.316 -24.278 3.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 17.105 -27.736 2.070 1.00 0.00 H new ATOM 0 HH2 TRP A 385 19.113 -26.750 3.148 1.00 0.00 H new ATOM 165 N GLU A 386 13.201 -25.798 2.884 1.00 0.00 N ATOM 166 CA GLU A 386 13.087 -27.251 2.884 1.00 0.00 C ATOM 167 C GLU A 386 11.604 -27.575 2.725 1.00 0.00 C ATOM 168 O GLU A 386 11.200 -28.249 1.777 1.00 0.00 O ATOM 169 CB GLU A 386 13.730 -27.863 4.136 1.00 0.00 C ATOM 170 CG GLU A 386 13.478 -29.375 4.244 1.00 0.00 C ATOM 171 CD GLU A 386 13.806 -30.133 2.959 1.00 0.00 C ATOM 172 OE1 GLU A 386 14.948 -29.970 2.481 1.00 0.00 O ATOM 173 OE2 GLU A 386 12.903 -30.852 2.476 1.00 0.00 O ATOM 0 H GLU A 386 13.543 -25.364 3.741 1.00 0.00 H new ATOM 0 HA GLU A 386 13.638 -27.699 2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 386 14.804 -27.677 4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 386 13.336 -27.367 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 386 14.077 -29.779 5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 386 12.433 -29.545 4.502 1.00 0.00 H new ATOM 180 N GLU A 387 10.800 -27.031 3.637 1.00 0.00 N ATOM 181 CA GLU A 387 9.362 -27.172 3.622 1.00 0.00 C ATOM 182 C GLU A 387 8.802 -26.618 2.307 1.00 0.00 C ATOM 183 O GLU A 387 8.153 -27.333 1.550 1.00 0.00 O ATOM 184 CB GLU A 387 8.796 -26.418 4.833 1.00 0.00 C ATOM 185 CG GLU A 387 9.330 -26.969 6.160 1.00 0.00 C ATOM 186 CD GLU A 387 8.517 -26.432 7.327 1.00 0.00 C ATOM 187 OE1 GLU A 387 8.579 -25.205 7.563 1.00 0.00 O ATOM 188 OE2 GLU A 387 7.801 -27.246 7.951 1.00 0.00 O ATOM 0 H GLU A 387 11.145 -26.472 4.417 1.00 0.00 H new ATOM 0 HA GLU A 387 9.074 -28.221 3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 387 9.050 -25.361 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 387 7.708 -26.486 4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 387 9.288 -28.058 6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 387 10.377 -26.691 6.281 1.00 0.00 H new ATOM 195 N ASP A 388 9.050 -25.334 2.037 1.00 0.00 N ATOM 196 CA ASP A 388 8.564 -24.635 0.855 1.00 0.00 C ATOM 197 C ASP A 388 8.985 -25.282 -0.458 1.00 0.00 C ATOM 198 O ASP A 388 8.140 -25.611 -1.283 1.00 0.00 O ATOM 199 CB ASP A 388 9.023 -23.169 0.873 1.00 0.00 C ATOM 200 CG ASP A 388 7.830 -22.233 0.882 1.00 0.00 C ATOM 201 OD1 ASP A 388 7.349 -21.905 -0.225 1.00 0.00 O ATOM 202 OD2 ASP A 388 7.419 -21.843 1.993 1.00 0.00 O ATOM 0 H ASP A 388 9.608 -24.742 2.652 1.00 0.00 H new ATOM 0 HA ASP A 388 7.477 -24.694 0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 388 9.641 -22.987 1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 388 9.644 -22.966 0.000 1.00 0.00 H new ATOM 207 N LYS A 389 10.290 -25.442 -0.675 1.00 0.00 N ATOM 208 CA LYS A 389 10.813 -26.006 -1.909 1.00 0.00 C ATOM 209 C LYS A 389 10.259 -27.420 -2.108 1.00 0.00 C ATOM 210 O LYS A 389 9.778 -27.731 -3.199 1.00 0.00 O ATOM 211 CB LYS A 389 12.353 -25.904 -1.981 1.00 0.00 C ATOM 212 CG LYS A 389 12.837 -26.135 -3.418 1.00 0.00 C ATOM 213 CD LYS A 389 14.371 -26.146 -3.460 1.00 0.00 C ATOM 214 CE LYS A 389 14.908 -26.402 -4.875 1.00 0.00 C ATOM 215 NZ LYS A 389 14.556 -27.746 -5.376 1.00 0.00 N ATOM 0 H LYS A 389 11.009 -25.184 0.001 1.00 0.00 H new ATOM 0 HA LYS A 389 10.466 -25.414 -2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.675 -24.922 -1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.804 -26.640 -1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 389 12.448 -27.081 -3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 389 12.453 -25.351 -4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 389 14.750 -25.191 -3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 389 14.746 -26.916 -2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 389 14.509 -25.648 -5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 389 15.992 -26.290 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 15.038 -27.916 -6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 14.854 -28.463 -4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 13.527 -27.806 -5.515 1.00 0.00 H new ATOM 229 N ASN A 390 10.297 -28.273 -1.071 1.00 0.00 N ATOM 230 CA ASN A 390 9.763 -29.624 -1.203 1.00 0.00 C ATOM 231 C ASN A 390 8.246 -29.609 -1.448 1.00 0.00 C ATOM 232 O ASN A 390 7.750 -30.457 -2.185 1.00 0.00 O ATOM 233 CB ASN A 390 10.278 -30.580 -0.107 1.00 0.00 C ATOM 234 CG ASN A 390 9.453 -30.694 1.178 1.00 0.00 C ATOM 235 OD1 ASN A 390 8.230 -30.625 1.151 1.00 0.00 O ATOM 236 ND2 ASN A 390 10.112 -30.964 2.306 1.00 0.00 N ATOM 0 H ASN A 390 10.684 -28.051 -0.154 1.00 0.00 H new ATOM 0 HA ASN A 390 10.169 -30.071 -2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 390 10.362 -31.576 -0.542 1.00 0.00 H new ATOM 0 HB3 ASN A 390 11.285 -30.266 0.167 1.00 0.00 H new ATOM 0 HD21 ASN A 390 9.597 -31.119 3.173 1.00 0.00 H new ATOM 0 HD22 ASN A 390 11.131 -31.016 2.302 1.00 0.00 H new ATOM 243 N LEU A 391 7.509 -28.648 -0.870 1.00 0.00 N ATOM 244 CA LEU A 391 6.066 -28.514 -1.057 1.00 0.00 C ATOM 245 C LEU A 391 5.764 -28.164 -2.510 1.00 0.00 C ATOM 246 O LEU A 391 4.940 -28.819 -3.142 1.00 0.00 O ATOM 247 CB LEU A 391 5.490 -27.440 -0.121 1.00 0.00 C ATOM 248 CG LEU A 391 3.980 -27.206 -0.289 1.00 0.00 C ATOM 249 CD1 LEU A 391 3.189 -28.488 -0.018 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.520 -26.110 0.679 1.00 0.00 C ATOM 0 H LEU A 391 7.907 -27.938 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 391 5.594 -29.466 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.690 -27.728 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.014 -26.501 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 391 3.795 -26.898 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.124 -28.292 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.501 -29.263 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.378 -28.823 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.449 -25.945 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.727 -26.419 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 391 4.056 -25.186 0.463 1.00 0.00 H new ATOM 262 N ARG A 392 6.433 -27.130 -3.035 1.00 0.00 N ATOM 263 CA ARG A 392 6.277 -26.665 -4.407 1.00 0.00 C ATOM 264 C ARG A 392 6.487 -27.849 -5.353 1.00 0.00 C ATOM 265 O ARG A 392 5.637 -28.130 -6.200 1.00 0.00 O ATOM 266 CB ARG A 392 7.280 -25.536 -4.686 1.00 0.00 C ATOM 267 CG ARG A 392 6.960 -24.264 -3.885 1.00 0.00 C ATOM 268 CD ARG A 392 8.150 -23.298 -3.917 1.00 0.00 C ATOM 269 NE ARG A 392 8.005 -22.220 -2.923 1.00 0.00 N ATOM 270 CZ ARG A 392 8.520 -20.983 -3.012 1.00 0.00 C ATOM 271 NH1 ARG A 392 9.184 -20.577 -4.103 1.00 0.00 N ATOM 272 NH2 ARG A 392 8.370 -20.148 -1.979 1.00 0.00 N ATOM 0 H ARG A 392 7.111 -26.586 -2.501 1.00 0.00 H new ATOM 0 HA ARG A 392 5.275 -26.266 -4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 392 8.285 -25.876 -4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 392 7.276 -25.303 -5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 392 6.077 -23.778 -4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 392 6.724 -24.526 -2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 392 9.071 -23.849 -3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 392 8.240 -22.865 -4.913 1.00 0.00 H new ATOM 0 HE ARG A 392 7.461 -22.434 -2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 392 9.308 -21.213 -4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 392 9.566 -19.632 -4.146 1.00 0.00 H new ATOM 0 HH21 ARG A 392 7.872 -20.455 -1.143 1.00 0.00 H new ATOM 0 HH22 ARG A 392 8.754 -19.204 -2.026 1.00 0.00 H new ATOM 286 N SER A 393 7.614 -28.553 -5.184 1.00 0.00 N ATOM 287 CA SER A 393 7.929 -29.732 -5.976 1.00 0.00 C ATOM 288 C SER A 393 6.831 -30.784 -5.803 1.00 0.00 C ATOM 289 O SER A 393 6.378 -31.365 -6.785 1.00 0.00 O ATOM 290 CB SER A 393 9.295 -30.285 -5.560 1.00 0.00 C ATOM 291 OG SER A 393 10.300 -29.317 -5.791 1.00 0.00 O ATOM 0 H SER A 393 8.327 -28.316 -4.494 1.00 0.00 H new ATOM 0 HA SER A 393 7.977 -29.462 -7.031 1.00 0.00 H new ATOM 0 HB2 SER A 393 9.279 -30.560 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 393 9.516 -31.192 -6.123 1.00 0.00 H new ATOM 0 HG SER A 393 10.312 -28.675 -5.051 1.00 0.00 H new ATOM 297 N GLY A 394 6.400 -31.018 -4.560 1.00 0.00 N ATOM 298 CA GLY A 394 5.364 -31.970 -4.197 1.00 0.00 C ATOM 299 C GLY A 394 4.084 -31.745 -4.994 1.00 0.00 C ATOM 300 O GLY A 394 3.611 -32.659 -5.661 1.00 0.00 O ATOM 0 H GLY A 394 6.783 -30.526 -3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 394 5.726 -32.984 -4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.149 -31.884 -3.132 1.00 0.00 H new ATOM 304 N VAL A 395 3.523 -30.534 -4.937 1.00 0.00 N ATOM 305 CA VAL A 395 2.306 -30.194 -5.661 1.00 0.00 C ATOM 306 C VAL A 395 2.522 -30.373 -7.162 1.00 0.00 C ATOM 307 O VAL A 395 1.671 -30.928 -7.850 1.00 0.00 O ATOM 308 CB VAL A 395 1.860 -28.760 -5.326 1.00 0.00 C ATOM 309 CG1 VAL A 395 0.662 -28.354 -6.195 1.00 0.00 C ATOM 310 CG2 VAL A 395 1.448 -28.655 -3.854 1.00 0.00 C ATOM 0 H VAL A 395 3.904 -29.765 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 395 1.508 -30.869 -5.350 1.00 0.00 H new ATOM 0 HB VAL A 395 2.702 -28.096 -5.522 1.00 0.00 H new ATOM 0 HG11 VAL A 395 0.359 -27.337 -5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 395 0.943 -28.401 -7.247 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -0.169 -29.035 -6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.136 -27.634 -3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 395 0.621 -29.337 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.294 -28.919 -3.220 1.00 0.00 H new ATOM 320 N ARG A 396 3.656 -29.902 -7.683 1.00 0.00 N ATOM 321 CA ARG A 396 3.946 -29.999 -9.106 1.00 0.00 C ATOM 322 C ARG A 396 4.148 -31.448 -9.579 1.00 0.00 C ATOM 323 O ARG A 396 3.873 -31.756 -10.737 1.00 0.00 O ATOM 324 CB ARG A 396 5.147 -29.097 -9.416 1.00 0.00 C ATOM 325 CG ARG A 396 5.177 -28.659 -10.887 1.00 0.00 C ATOM 326 CD ARG A 396 6.224 -27.561 -11.122 1.00 0.00 C ATOM 327 NE ARG A 396 6.013 -26.395 -10.247 1.00 0.00 N ATOM 328 CZ ARG A 396 5.061 -25.455 -10.389 1.00 0.00 C ATOM 329 NH1 ARG A 396 4.246 -25.456 -11.451 1.00 0.00 N ATOM 330 NH2 ARG A 396 4.923 -24.511 -9.449 1.00 0.00 N ATOM 0 H ARG A 396 4.388 -29.449 -7.135 1.00 0.00 H new ATOM 0 HA ARG A 396 3.081 -29.651 -9.672 1.00 0.00 H new ATOM 0 HB2 ARG A 396 5.112 -28.215 -8.776 1.00 0.00 H new ATOM 0 HB3 ARG A 396 6.069 -29.627 -9.177 1.00 0.00 H new ATOM 0 HG2 ARG A 396 5.400 -29.518 -11.520 1.00 0.00 H new ATOM 0 HG3 ARG A 396 4.193 -28.294 -11.180 1.00 0.00 H new ATOM 0 HD2 ARG A 396 7.220 -27.968 -10.948 1.00 0.00 H new ATOM 0 HD3 ARG A 396 6.187 -27.243 -12.164 1.00 0.00 H new ATOM 0 HE ARG A 396 6.650 -26.290 -9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 396 4.342 -26.176 -12.167 1.00 0.00 H new ATOM 0 HH12 ARG A 396 3.529 -24.736 -11.544 1.00 0.00 H new ATOM 0 HH21 ARG A 396 5.537 -24.509 -8.634 1.00 0.00 H new ATOM 0 HH22 ARG A 396 4.204 -23.794 -9.548 1.00 0.00 H new ATOM 344 N LYS A 397 4.633 -32.333 -8.700 1.00 0.00 N ATOM 345 CA LYS A 397 4.916 -33.733 -8.995 1.00 0.00 C ATOM 346 C LYS A 397 3.714 -34.660 -8.788 1.00 0.00 C ATOM 347 O LYS A 397 3.537 -35.599 -9.560 1.00 0.00 O ATOM 348 CB LYS A 397 6.113 -34.173 -8.130 1.00 0.00 C ATOM 349 CG LYS A 397 6.719 -35.540 -8.491 1.00 0.00 C ATOM 350 CD LYS A 397 7.893 -35.473 -9.481 1.00 0.00 C ATOM 351 CE LYS A 397 7.518 -34.828 -10.819 1.00 0.00 C ATOM 352 NZ LYS A 397 8.587 -34.986 -11.822 1.00 0.00 N ATOM 0 H LYS A 397 4.844 -32.081 -7.734 1.00 0.00 H new ATOM 0 HA LYS A 397 5.154 -33.815 -10.056 1.00 0.00 H new ATOM 0 HB2 LYS A 397 6.894 -33.416 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 397 5.796 -34.199 -7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 397 7.058 -36.026 -7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 397 5.937 -36.170 -8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 397 8.709 -34.909 -9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 397 8.265 -36.481 -9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 397 6.598 -35.277 -11.194 1.00 0.00 H new ATOM 0 HE3 LYS A 397 7.316 -33.768 -10.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 8.296 -34.537 -12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 9.458 -34.535 -11.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 8.763 -35.998 -11.986 1.00 0.00 H new ATOM 366 N TYR A 398 2.917 -34.431 -7.738 1.00 0.00 N ATOM 367 CA TYR A 398 1.789 -35.280 -7.358 1.00 0.00 C ATOM 368 C TYR A 398 0.412 -34.626 -7.506 1.00 0.00 C ATOM 369 O TYR A 398 -0.592 -35.304 -7.293 1.00 0.00 O ATOM 370 CB TYR A 398 2.024 -35.757 -5.916 1.00 0.00 C ATOM 371 CG TYR A 398 3.449 -36.220 -5.668 1.00 0.00 C ATOM 372 CD1 TYR A 398 3.999 -37.262 -6.437 1.00 0.00 C ATOM 373 CD2 TYR A 398 4.234 -35.599 -4.680 1.00 0.00 C ATOM 374 CE1 TYR A 398 5.325 -37.673 -6.222 1.00 0.00 C ATOM 375 CE2 TYR A 398 5.559 -36.010 -4.465 1.00 0.00 C ATOM 376 CZ TYR A 398 6.106 -37.049 -5.235 1.00 0.00 C ATOM 377 OH TYR A 398 7.395 -37.446 -5.035 1.00 0.00 O ATOM 0 H TYR A 398 3.044 -33.632 -7.117 1.00 0.00 H new ATOM 0 HA TYR A 398 1.759 -36.117 -8.056 1.00 0.00 H new ATOM 0 HB2 TYR A 398 1.787 -34.946 -5.228 1.00 0.00 H new ATOM 0 HB3 TYR A 398 1.338 -36.575 -5.694 1.00 0.00 H new ATOM 0 HD1 TYR A 398 3.401 -37.747 -7.194 1.00 0.00 H new ATOM 0 HD2 TYR A 398 3.815 -34.802 -4.084 1.00 0.00 H new ATOM 0 HE1 TYR A 398 5.745 -38.471 -6.817 1.00 0.00 H new ATOM 0 HE2 TYR A 398 6.158 -35.527 -3.707 1.00 0.00 H new ATOM 0 HH TYR A 398 7.770 -37.776 -5.878 1.00 0.00 H new ATOM 387 N GLY A 399 0.356 -33.338 -7.864 1.00 0.00 N ATOM 388 CA GLY A 399 -0.879 -32.584 -8.039 1.00 0.00 C ATOM 389 C GLY A 399 -1.293 -31.888 -6.741 1.00 0.00 C ATOM 390 O GLY A 399 -0.752 -32.180 -5.675 1.00 0.00 O ATOM 0 H GLY A 399 1.192 -32.782 -8.043 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.746 -31.842 -8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.674 -33.255 -8.364 1.00 0.00 H new ATOM 394 N GLU A 400 -2.263 -30.969 -6.830 1.00 0.00 N ATOM 395 CA GLU A 400 -2.789 -30.245 -5.677 1.00 0.00 C ATOM 396 C GLU A 400 -3.818 -31.147 -4.983 1.00 0.00 C ATOM 397 O GLU A 400 -4.315 -32.090 -5.597 1.00 0.00 O ATOM 398 CB GLU A 400 -3.361 -28.888 -6.129 1.00 0.00 C ATOM 399 CG GLU A 400 -3.564 -27.945 -4.935 1.00 0.00 C ATOM 400 CD GLU A 400 -3.937 -26.514 -5.315 1.00 0.00 C ATOM 401 OE1 GLU A 400 -3.431 -26.005 -6.341 1.00 0.00 O ATOM 402 OE2 GLU A 400 -4.691 -25.898 -4.529 1.00 0.00 O ATOM 0 H GLU A 400 -2.704 -30.709 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 400 -2.008 -30.012 -4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.685 -28.427 -6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.312 -29.043 -6.639 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.346 -28.353 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.648 -27.924 -4.345 1.00 0.00 H new ATOM 409 N GLY A 401 -4.127 -30.894 -3.707 1.00 0.00 N ATOM 410 CA GLY A 401 -5.067 -31.724 -2.959 1.00 0.00 C ATOM 411 C GLY A 401 -4.484 -33.125 -2.788 1.00 0.00 C ATOM 412 O GLY A 401 -5.143 -34.121 -3.074 1.00 0.00 O ATOM 0 H GLY A 401 -3.737 -30.118 -3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -5.265 -31.279 -1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -6.020 -31.777 -3.485 1.00 0.00 H new ATOM 416 N ASN A 402 -3.226 -33.171 -2.340 1.00 0.00 N ATOM 417 CA ASN A 402 -2.423 -34.367 -2.119 1.00 0.00 C ATOM 418 C ASN A 402 -1.474 -34.031 -0.962 1.00 0.00 C ATOM 419 O ASN A 402 -0.278 -34.288 -1.035 1.00 0.00 O ATOM 420 CB ASN A 402 -1.635 -34.674 -3.412 1.00 0.00 C ATOM 421 CG ASN A 402 -2.435 -35.399 -4.498 1.00 0.00 C ATOM 422 OD1 ASN A 402 -2.328 -36.616 -4.641 1.00 0.00 O ATOM 423 ND2 ASN A 402 -3.203 -34.678 -5.313 1.00 0.00 N ATOM 0 H ASN A 402 -2.714 -32.320 -2.109 1.00 0.00 H new ATOM 0 HA ASN A 402 -3.025 -35.243 -1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -1.260 -33.737 -3.823 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -0.766 -35.280 -3.155 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -3.713 -35.134 -6.069 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -3.281 -33.670 -5.181 1.00 0.00 H new ATOM 430 N TRP A 403 -1.995 -33.421 0.105 1.00 0.00 N ATOM 431 CA TRP A 403 -1.223 -32.970 1.257 1.00 0.00 C ATOM 432 C TRP A 403 -0.665 -34.132 2.065 1.00 0.00 C ATOM 433 O TRP A 403 0.518 -34.133 2.393 1.00 0.00 O ATOM 434 CB TRP A 403 -2.067 -31.987 2.077 1.00 0.00 C ATOM 435 CG TRP A 403 -2.782 -31.019 1.189 1.00 0.00 C ATOM 436 CD1 TRP A 403 -4.120 -30.887 1.064 1.00 0.00 C ATOM 437 CD2 TRP A 403 -2.195 -30.062 0.262 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.403 -29.917 0.123 1.00 0.00 N ATOM 439 CE2 TRP A 403 -3.250 -29.378 -0.405 1.00 0.00 C ATOM 440 CE3 TRP A 403 -0.874 -29.708 -0.086 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -3.006 -28.396 -1.375 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -0.620 -28.723 -1.053 1.00 0.00 C ATOM 443 CH2 TRP A 403 -1.681 -28.070 -1.695 1.00 0.00 C ATOM 0 H TRP A 403 -2.992 -33.224 0.190 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.338 -32.434 0.915 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.791 -32.538 2.677 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -1.426 -31.443 2.771 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.856 -31.453 1.615 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -5.345 -29.635 -0.147 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -0.046 -30.203 0.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -3.827 -27.898 -1.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 0.399 -28.467 -1.304 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -1.477 -27.314 -2.438 1.00 0.00 H new ATOM 454 N SER A 404 -1.500 -35.126 2.364 1.00 0.00 N ATOM 455 CA SER A 404 -1.075 -36.316 3.093 1.00 0.00 C ATOM 456 C SER A 404 0.004 -37.038 2.282 1.00 0.00 C ATOM 457 O SER A 404 1.053 -37.415 2.801 1.00 0.00 O ATOM 458 CB SER A 404 -2.290 -37.211 3.335 1.00 0.00 C ATOM 459 OG SER A 404 -1.924 -38.394 4.014 1.00 0.00 O ATOM 0 H SER A 404 -2.487 -35.128 2.108 1.00 0.00 H new ATOM 0 HA SER A 404 -0.651 -36.048 4.061 1.00 0.00 H new ATOM 0 HB2 SER A 404 -3.034 -36.669 3.918 1.00 0.00 H new ATOM 0 HB3 SER A 404 -2.754 -37.464 2.382 1.00 0.00 H new ATOM 0 HG SER A 404 -2.719 -38.948 4.158 1.00 0.00 H new ATOM 465 N LYS A 405 -0.253 -37.207 0.984 1.00 0.00 N ATOM 466 CA LYS A 405 0.656 -37.841 0.045 1.00 0.00 C ATOM 467 C LYS A 405 2.001 -37.098 0.054 1.00 0.00 C ATOM 468 O LYS A 405 3.049 -37.720 0.227 1.00 0.00 O ATOM 469 CB LYS A 405 -0.044 -37.853 -1.316 1.00 0.00 C ATOM 470 CG LYS A 405 0.701 -38.597 -2.428 1.00 0.00 C ATOM 471 CD LYS A 405 -0.133 -38.431 -3.699 1.00 0.00 C ATOM 472 CE LYS A 405 0.397 -39.178 -4.924 1.00 0.00 C ATOM 473 NZ LYS A 405 -0.410 -38.829 -6.113 1.00 0.00 N ATOM 0 H LYS A 405 -1.123 -36.897 0.552 1.00 0.00 H new ATOM 0 HA LYS A 405 0.891 -38.871 0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 405 -1.029 -38.305 -1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 405 -0.203 -36.822 -1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 405 1.702 -38.188 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 405 0.819 -39.651 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -1.148 -38.772 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -0.195 -37.369 -3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 405 1.442 -38.920 -5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 405 0.358 -40.253 -4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -0.901 -39.677 -6.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -1.110 -38.104 -5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 0.213 -38.460 -6.859 1.00 0.00 H new ATOM 487 N ILE A 406 1.977 -35.769 -0.108 1.00 0.00 N ATOM 488 CA ILE A 406 3.169 -34.927 -0.087 1.00 0.00 C ATOM 489 C ILE A 406 3.906 -35.092 1.246 1.00 0.00 C ATOM 490 O ILE A 406 5.125 -35.229 1.245 1.00 0.00 O ATOM 491 CB ILE A 406 2.794 -33.463 -0.399 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.478 -33.322 -1.899 1.00 0.00 C ATOM 493 CG2 ILE A 406 3.932 -32.498 -0.032 1.00 0.00 C ATOM 494 CD1 ILE A 406 1.696 -32.046 -2.230 1.00 0.00 C ATOM 0 H ILE A 406 1.115 -35.246 -0.259 1.00 0.00 H new ATOM 0 HA ILE A 406 3.861 -35.243 -0.868 1.00 0.00 H new ATOM 0 HB ILE A 406 1.920 -33.206 0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.411 -33.326 -2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 406 1.904 -34.189 -2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.632 -31.476 -0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 406 4.148 -32.578 1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.824 -32.754 -0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.504 -32.005 -3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 406 0.748 -32.050 -1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 406 2.279 -31.174 -1.932 1.00 0.00 H new ATOM 506 N LEU A 407 3.179 -35.095 2.371 1.00 0.00 N ATOM 507 CA LEU A 407 3.736 -35.269 3.708 1.00 0.00 C ATOM 508 C LEU A 407 4.483 -36.603 3.803 1.00 0.00 C ATOM 509 O LEU A 407 5.546 -36.674 4.417 1.00 0.00 O ATOM 510 CB LEU A 407 2.613 -35.132 4.750 1.00 0.00 C ATOM 511 CG LEU A 407 3.033 -35.402 6.204 1.00 0.00 C ATOM 512 CD1 LEU A 407 4.133 -34.447 6.682 1.00 0.00 C ATOM 513 CD2 LEU A 407 1.805 -35.247 7.108 1.00 0.00 C ATOM 0 H LEU A 407 2.166 -34.974 2.371 1.00 0.00 H new ATOM 0 HA LEU A 407 4.470 -34.490 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 407 2.203 -34.124 4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 407 1.809 -35.820 4.487 1.00 0.00 H new ATOM 0 HG LEU A 407 3.435 -36.414 6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 407 4.393 -34.680 7.715 1.00 0.00 H new ATOM 0 HD12 LEU A 407 5.014 -34.562 6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 407 3.775 -33.419 6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 407 2.089 -35.436 8.143 1.00 0.00 H new ATOM 0 HD22 LEU A 407 1.413 -34.234 7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 407 1.038 -35.961 6.806 1.00 0.00 H new ATOM 525 N LEU A 408 3.946 -37.662 3.185 1.00 0.00 N ATOM 526 CA LEU A 408 4.594 -38.966 3.185 1.00 0.00 C ATOM 527 C LEU A 408 5.863 -38.918 2.327 1.00 0.00 C ATOM 528 O LEU A 408 6.891 -39.459 2.732 1.00 0.00 O ATOM 529 CB LEU A 408 3.624 -40.054 2.701 1.00 0.00 C ATOM 530 CG LEU A 408 2.486 -40.332 3.699 1.00 0.00 C ATOM 531 CD1 LEU A 408 1.363 -41.101 2.994 1.00 0.00 C ATOM 532 CD2 LEU A 408 2.971 -41.153 4.902 1.00 0.00 C ATOM 0 H LEU A 408 3.061 -37.634 2.679 1.00 0.00 H new ATOM 0 HA LEU A 408 4.884 -39.221 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 408 3.196 -39.752 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 408 4.179 -40.976 2.525 1.00 0.00 H new ATOM 0 HG LEU A 408 2.124 -39.371 4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 408 0.557 -41.298 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 408 0.981 -40.507 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 408 1.752 -42.046 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 408 2.138 -41.328 5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 408 3.363 -42.109 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 408 3.757 -40.606 5.423 1.00 0.00 H new ATOM 544 N HIS A 409 5.804 -38.279 1.151 1.00 0.00 N ATOM 545 CA HIS A 409 6.951 -38.170 0.255 1.00 0.00 C ATOM 546 C HIS A 409 8.096 -37.370 0.879 1.00 0.00 C ATOM 547 O HIS A 409 9.214 -37.873 0.968 1.00 0.00 O ATOM 548 CB HIS A 409 6.548 -37.532 -1.081 1.00 0.00 C ATOM 549 CG HIS A 409 5.657 -38.391 -1.937 1.00 0.00 C ATOM 550 ND1 HIS A 409 6.040 -39.641 -2.399 1.00 0.00 N ATOM 551 CD2 HIS A 409 4.395 -38.193 -2.435 1.00 0.00 C ATOM 552 CE1 HIS A 409 5.022 -40.126 -3.130 1.00 0.00 C ATOM 553 NE2 HIS A 409 3.985 -39.288 -3.192 1.00 0.00 N ATOM 0 H HIS A 409 4.960 -37.826 0.800 1.00 0.00 H new ATOM 0 HA HIS A 409 7.304 -39.186 0.077 1.00 0.00 H new ATOM 0 HB2 HIS A 409 6.039 -36.589 -0.880 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.451 -37.294 -1.643 1.00 0.00 H new ATOM 0 HD2 HIS A 409 3.800 -37.308 -2.264 1.00 0.00 H new ATOM 0 HE1 HIS A 409 5.041 -41.091 -3.615 1.00 0.00 H new ATOM 0 HE2 HIS A 409 3.099 -39.419 -3.680 1.00 0.00 H new ATOM 561 N TYR A 410 7.824 -36.124 1.283 1.00 0.00 N ATOM 562 CA TYR A 410 8.798 -35.208 1.860 1.00 0.00 C ATOM 563 C TYR A 410 8.313 -34.759 3.237 1.00 0.00 C ATOM 564 O TYR A 410 7.138 -34.444 3.407 1.00 0.00 O ATOM 565 CB TYR A 410 8.990 -34.012 0.918 1.00 0.00 C ATOM 566 CG TYR A 410 9.113 -34.370 -0.556 1.00 0.00 C ATOM 567 CD1 TYR A 410 10.053 -35.332 -0.972 1.00 0.00 C ATOM 568 CD2 TYR A 410 8.284 -33.747 -1.511 1.00 0.00 C ATOM 569 CE1 TYR A 410 10.160 -35.675 -2.332 1.00 0.00 C ATOM 570 CE2 TYR A 410 8.396 -34.089 -2.870 1.00 0.00 C ATOM 571 CZ TYR A 410 9.330 -35.054 -3.279 1.00 0.00 C ATOM 572 OH TYR A 410 9.422 -35.387 -4.597 1.00 0.00 O ATOM 0 H TYR A 410 6.890 -35.719 1.213 1.00 0.00 H new ATOM 0 HA TYR A 410 9.761 -35.705 1.981 1.00 0.00 H new ATOM 0 HB2 TYR A 410 8.148 -33.331 1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 410 9.886 -33.470 1.221 1.00 0.00 H new ATOM 0 HD1 TYR A 410 10.694 -35.808 -0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 410 7.563 -33.007 -1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 410 10.880 -36.415 -2.648 1.00 0.00 H new ATOM 0 HE2 TYR A 410 7.762 -33.608 -3.601 1.00 0.00 H new ATOM 0 HH TYR A 410 8.762 -36.080 -4.806 1.00 0.00 H new ATOM 582 N LYS A 411 9.217 -34.741 4.221 1.00 0.00 N ATOM 583 CA LYS A 411 8.901 -34.360 5.589 1.00 0.00 C ATOM 584 C LYS A 411 8.865 -32.838 5.757 1.00 0.00 C ATOM 585 O LYS A 411 9.278 -32.089 4.871 1.00 0.00 O ATOM 586 CB LYS A 411 9.898 -35.021 6.551 1.00 0.00 C ATOM 587 CG LYS A 411 9.792 -36.550 6.472 1.00 0.00 C ATOM 588 CD LYS A 411 10.711 -37.210 7.505 1.00 0.00 C ATOM 589 CE LYS A 411 10.595 -38.737 7.411 1.00 0.00 C ATOM 590 NZ LYS A 411 11.467 -39.415 8.387 1.00 0.00 N ATOM 0 H LYS A 411 10.195 -34.994 4.083 1.00 0.00 H new ATOM 0 HA LYS A 411 7.900 -34.718 5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 411 10.912 -34.708 6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 411 9.702 -34.690 7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 411 8.761 -36.858 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 411 10.061 -36.887 5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 411 11.743 -36.904 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 411 10.442 -36.878 8.508 1.00 0.00 H new ATOM 0 HE2 LYS A 411 9.560 -39.034 7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 411 10.858 -39.060 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 11.360 -40.445 8.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 12.457 -39.152 8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 11.200 -39.127 9.350 1.00 0.00 H new ATOM 604 N PHE A 412 8.353 -32.402 6.914 1.00 0.00 N ATOM 605 CA PHE A 412 8.202 -31.009 7.301 1.00 0.00 C ATOM 606 C PHE A 412 8.423 -30.875 8.811 1.00 0.00 C ATOM 607 O PHE A 412 8.615 -31.881 9.495 1.00 0.00 O ATOM 608 CB PHE A 412 6.789 -30.531 6.950 1.00 0.00 C ATOM 609 CG PHE A 412 6.434 -30.540 5.479 1.00 0.00 C ATOM 610 CD1 PHE A 412 5.987 -31.710 4.839 1.00 0.00 C ATOM 611 CD2 PHE A 412 6.557 -29.353 4.745 1.00 0.00 C ATOM 612 CE1 PHE A 412 5.668 -31.686 3.471 1.00 0.00 C ATOM 613 CE2 PHE A 412 6.239 -29.330 3.382 1.00 0.00 C ATOM 614 CZ PHE A 412 5.792 -30.494 2.740 1.00 0.00 C ATOM 0 H PHE A 412 8.020 -33.045 7.632 1.00 0.00 H new ATOM 0 HA PHE A 412 8.934 -30.402 6.768 1.00 0.00 H new ATOM 0 HB2 PHE A 412 6.072 -31.158 7.481 1.00 0.00 H new ATOM 0 HB3 PHE A 412 6.666 -29.516 7.327 1.00 0.00 H new ATOM 0 HD1 PHE A 412 5.889 -32.628 5.400 1.00 0.00 H new ATOM 0 HD2 PHE A 412 6.899 -28.452 5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 412 5.327 -32.586 2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 412 6.338 -28.412 2.822 1.00 0.00 H new ATOM 0 HZ PHE A 412 5.545 -30.473 1.689 1.00 0.00 H new ATOM 624 N ASN A 413 8.379 -29.643 9.333 1.00 0.00 N ATOM 625 CA ASN A 413 8.548 -29.373 10.756 1.00 0.00 C ATOM 626 C ASN A 413 7.356 -29.953 11.524 1.00 0.00 C ATOM 627 O ASN A 413 7.509 -30.896 12.295 1.00 0.00 O ATOM 628 CB ASN A 413 8.698 -27.860 10.976 1.00 0.00 C ATOM 629 CG ASN A 413 8.926 -27.512 12.447 1.00 0.00 C ATOM 630 OD1 ASN A 413 8.030 -27.655 13.273 1.00 0.00 O ATOM 631 ND2 ASN A 413 10.127 -27.043 12.784 1.00 0.00 N ATOM 0 H ASN A 413 8.224 -28.805 8.773 1.00 0.00 H new ATOM 0 HA ASN A 413 9.452 -29.851 11.132 1.00 0.00 H new ATOM 0 HB2 ASN A 413 9.534 -27.489 10.383 1.00 0.00 H new ATOM 0 HB3 ASN A 413 7.803 -27.352 10.618 1.00 0.00 H new ATOM 0 HD21 ASN A 413 10.323 -26.791 13.753 1.00 0.00 H new ATOM 0 HD22 ASN A 413 10.851 -26.936 12.073 1.00 0.00 H new ATOM 638 N ASN A 414 6.169 -29.383 11.294 1.00 0.00 N ATOM 639 CA ASN A 414 4.909 -29.787 11.904 1.00 0.00 C ATOM 640 C ASN A 414 3.802 -29.120 11.092 1.00 0.00 C ATOM 641 O ASN A 414 3.166 -28.170 11.547 1.00 0.00 O ATOM 642 CB ASN A 414 4.868 -29.373 13.384 1.00 0.00 C ATOM 643 CG ASN A 414 3.543 -29.746 14.049 1.00 0.00 C ATOM 644 OD1 ASN A 414 2.844 -30.651 13.599 1.00 0.00 O ATOM 645 ND2 ASN A 414 3.187 -29.047 15.126 1.00 0.00 N ATOM 0 H ASN A 414 6.061 -28.598 10.652 1.00 0.00 H new ATOM 0 HA ASN A 414 4.785 -30.870 11.891 1.00 0.00 H new ATOM 0 HB2 ASN A 414 5.689 -29.853 13.917 1.00 0.00 H new ATOM 0 HB3 ASN A 414 5.023 -28.297 13.463 1.00 0.00 H new ATOM 0 HD21 ASN A 414 2.310 -29.257 15.603 1.00 0.00 H new ATOM 0 HD22 ASN A 414 3.791 -28.302 15.473 1.00 0.00 H new ATOM 652 N ARG A 415 3.606 -29.609 9.863 1.00 0.00 N ATOM 653 CA ARG A 415 2.642 -29.071 8.919 1.00 0.00 C ATOM 654 C ARG A 415 1.514 -30.068 8.672 1.00 0.00 C ATOM 655 O ARG A 415 1.730 -31.120 8.073 1.00 0.00 O ATOM 656 CB ARG A 415 3.363 -28.715 7.611 1.00 0.00 C ATOM 657 CG ARG A 415 4.616 -27.857 7.820 1.00 0.00 C ATOM 658 CD ARG A 415 4.328 -26.516 8.487 1.00 0.00 C ATOM 659 NE ARG A 415 5.542 -25.703 8.535 1.00 0.00 N ATOM 660 CZ ARG A 415 5.596 -24.467 9.050 1.00 0.00 C ATOM 661 NH1 ARG A 415 4.503 -23.935 9.614 1.00 0.00 N ATOM 662 NH2 ARG A 415 6.738 -23.781 8.994 1.00 0.00 N ATOM 0 H ARG A 415 4.127 -30.406 9.497 1.00 0.00 H new ATOM 0 HA ARG A 415 2.193 -28.168 9.334 1.00 0.00 H new ATOM 0 HB2 ARG A 415 3.643 -29.635 7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 415 2.672 -28.183 6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 415 5.329 -28.412 8.429 1.00 0.00 H new ATOM 0 HG3 ARG A 415 5.091 -27.680 6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 415 3.550 -25.988 7.936 1.00 0.00 H new ATOM 0 HD3 ARG A 415 3.950 -26.678 9.497 1.00 0.00 H new ATOM 0 HE ARG A 415 6.400 -26.101 8.153 1.00 0.00 H new ATOM 0 HH11 ARG A 415 3.636 -24.470 9.650 1.00 0.00 H new ATOM 0 HH12 ARG A 415 4.539 -22.995 10.008 1.00 0.00 H new ATOM 0 HH21 ARG A 415 7.562 -24.198 8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 415 6.787 -22.840 9.384 1.00 0.00 H new ATOM 676 N THR A 416 0.307 -29.720 9.125 1.00 0.00 N ATOM 677 CA THR A 416 -0.893 -30.518 8.940 1.00 0.00 C ATOM 678 C THR A 416 -1.349 -30.390 7.486 1.00 0.00 C ATOM 679 O THR A 416 -0.865 -29.524 6.759 1.00 0.00 O ATOM 680 CB THR A 416 -1.993 -29.983 9.872 1.00 0.00 C ATOM 681 OG1 THR A 416 -2.280 -28.634 9.544 1.00 0.00 O ATOM 682 CG2 THR A 416 -1.577 -30.072 11.345 1.00 0.00 C ATOM 0 H THR A 416 0.140 -28.856 9.641 1.00 0.00 H new ATOM 0 HA THR A 416 -0.693 -31.564 9.172 1.00 0.00 H new ATOM 0 HB THR A 416 -2.880 -30.600 9.732 1.00 0.00 H new ATOM 0 HG1 THR A 416 -2.982 -28.295 10.138 1.00 0.00 H new ATOM 0 HG21 THR A 416 -2.379 -29.685 11.974 1.00 0.00 H new ATOM 0 HG22 THR A 416 -1.381 -31.112 11.606 1.00 0.00 H new ATOM 0 HG23 THR A 416 -0.674 -29.482 11.504 1.00 0.00 H new ATOM 690 N SER A 417 -2.301 -31.224 7.060 1.00 0.00 N ATOM 691 CA SER A 417 -2.863 -31.166 5.717 1.00 0.00 C ATOM 692 C SER A 417 -3.430 -29.761 5.474 1.00 0.00 C ATOM 693 O SER A 417 -3.221 -29.174 4.412 1.00 0.00 O ATOM 694 CB SER A 417 -3.914 -32.272 5.578 1.00 0.00 C ATOM 695 OG SER A 417 -4.665 -32.373 6.774 1.00 0.00 O ATOM 0 H SER A 417 -2.702 -31.959 7.642 1.00 0.00 H new ATOM 0 HA SER A 417 -2.104 -31.340 4.955 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.576 -32.054 4.740 1.00 0.00 H new ATOM 0 HB3 SER A 417 -3.428 -33.223 5.362 1.00 0.00 H new ATOM 0 HG SER A 417 -5.337 -33.080 6.680 1.00 0.00 H new ATOM 701 N VAL A 418 -4.119 -29.218 6.488 1.00 0.00 N ATOM 702 CA VAL A 418 -4.688 -27.878 6.476 1.00 0.00 C ATOM 703 C VAL A 418 -3.567 -26.869 6.203 1.00 0.00 C ATOM 704 O VAL A 418 -3.651 -26.099 5.254 1.00 0.00 O ATOM 705 CB VAL A 418 -5.381 -27.584 7.823 1.00 0.00 C ATOM 706 CG1 VAL A 418 -5.925 -26.152 7.869 1.00 0.00 C ATOM 707 CG2 VAL A 418 -6.545 -28.544 8.093 1.00 0.00 C ATOM 0 H VAL A 418 -4.296 -29.719 7.359 1.00 0.00 H new ATOM 0 HA VAL A 418 -5.440 -27.798 5.691 1.00 0.00 H new ATOM 0 HB VAL A 418 -4.617 -27.719 8.589 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -6.407 -25.977 8.831 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -5.104 -25.447 7.741 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -6.651 -26.013 7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -7.003 -28.300 9.052 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -7.288 -28.447 7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -6.173 -29.568 8.119 1.00 0.00 H new ATOM 717 N MET A 419 -2.521 -26.882 7.038 1.00 0.00 N ATOM 718 CA MET A 419 -1.372 -25.991 6.936 1.00 0.00 C ATOM 719 C MET A 419 -0.678 -26.075 5.571 1.00 0.00 C ATOM 720 O MET A 419 -0.347 -25.050 4.975 1.00 0.00 O ATOM 721 CB MET A 419 -0.467 -26.277 8.141 1.00 0.00 C ATOM 722 CG MET A 419 0.875 -25.551 8.123 1.00 0.00 C ATOM 723 SD MET A 419 0.884 -23.811 7.627 1.00 0.00 S ATOM 724 CE MET A 419 -0.196 -23.095 8.878 1.00 0.00 C ATOM 0 H MET A 419 -2.454 -27.531 7.822 1.00 0.00 H new ATOM 0 HA MET A 419 -1.683 -24.947 6.978 1.00 0.00 H new ATOM 0 HB2 MET A 419 -1.000 -26.002 9.051 1.00 0.00 H new ATOM 0 HB3 MET A 419 -0.282 -27.350 8.192 1.00 0.00 H new ATOM 0 HG2 MET A 419 1.305 -25.617 9.122 1.00 0.00 H new ATOM 0 HG3 MET A 419 1.541 -26.094 7.453 1.00 0.00 H new ATOM 0 HE1 MET A 419 -0.290 -22.023 8.707 1.00 0.00 H new ATOM 0 HE2 MET A 419 -1.180 -23.560 8.819 1.00 0.00 H new ATOM 0 HE3 MET A 419 0.228 -23.268 9.867 1.00 0.00 H new ATOM 734 N LEU A 420 -0.465 -27.284 5.052 1.00 0.00 N ATOM 735 CA LEU A 420 0.159 -27.482 3.751 1.00 0.00 C ATOM 736 C LEU A 420 -0.672 -26.790 2.670 1.00 0.00 C ATOM 737 O LEU A 420 -0.127 -26.082 1.818 1.00 0.00 O ATOM 738 CB LEU A 420 0.317 -28.984 3.482 1.00 0.00 C ATOM 739 CG LEU A 420 1.468 -29.545 4.327 1.00 0.00 C ATOM 740 CD1 LEU A 420 1.268 -31.014 4.684 1.00 0.00 C ATOM 741 CD2 LEU A 420 2.799 -29.427 3.583 1.00 0.00 C ATOM 0 H LEU A 420 -0.721 -28.151 5.524 1.00 0.00 H new ATOM 0 HA LEU A 420 1.153 -27.035 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.610 -29.505 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.514 -29.154 2.424 1.00 0.00 H new ATOM 0 HG LEU A 420 1.481 -28.952 5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 420 2.111 -31.361 5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 420 0.346 -31.127 5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 420 1.204 -31.605 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.599 -29.831 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.745 -29.987 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 420 3.003 -28.378 3.366 1.00 0.00 H new ATOM 753 N LYS A 421 -1.998 -26.973 2.718 1.00 0.00 N ATOM 754 CA LYS A 421 -2.895 -26.365 1.780 1.00 0.00 C ATOM 755 C LYS A 421 -2.846 -24.842 1.943 1.00 0.00 C ATOM 756 O LYS A 421 -2.756 -24.139 0.944 1.00 0.00 O ATOM 757 CB LYS A 421 -4.265 -27.000 2.025 1.00 0.00 C ATOM 758 CG LYS A 421 -5.285 -26.651 0.954 1.00 0.00 C ATOM 759 CD LYS A 421 -5.672 -25.179 1.088 1.00 0.00 C ATOM 760 CE LYS A 421 -7.152 -25.030 0.842 1.00 0.00 C ATOM 761 NZ LYS A 421 -7.497 -25.313 -0.567 1.00 0.00 N ATOM 0 H LYS A 421 -2.461 -27.552 3.418 1.00 0.00 H new ATOM 0 HA LYS A 421 -2.626 -26.540 0.738 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.153 -28.083 2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.641 -26.676 2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -4.870 -26.841 -0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -6.168 -27.282 1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -5.418 -24.813 2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -5.110 -24.577 0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -7.701 -25.708 1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -7.465 -24.018 1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -8.507 -25.120 -0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -6.928 -24.707 -1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -7.299 -26.312 -0.779 1.00 0.00 H new ATOM 775 N ASP A 422 -2.900 -24.327 3.180 1.00 0.00 N ATOM 776 CA ASP A 422 -2.862 -22.895 3.469 1.00 0.00 C ATOM 777 C ASP A 422 -1.645 -22.245 2.827 1.00 0.00 C ATOM 778 O ASP A 422 -1.777 -21.242 2.127 1.00 0.00 O ATOM 779 CB ASP A 422 -2.822 -22.621 4.979 1.00 0.00 C ATOM 780 CG ASP A 422 -4.092 -23.019 5.707 1.00 0.00 C ATOM 781 OD1 ASP A 422 -5.169 -22.928 5.076 1.00 0.00 O ATOM 782 OD2 ASP A 422 -3.977 -23.363 6.902 1.00 0.00 O ATOM 0 H ASP A 422 -2.972 -24.906 4.017 1.00 0.00 H new ATOM 0 HA ASP A 422 -3.775 -22.468 3.054 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -1.981 -23.160 5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -2.639 -21.559 5.141 1.00 0.00 H new ATOM 787 N ARG A 423 -0.461 -22.818 3.066 1.00 0.00 N ATOM 788 CA ARG A 423 0.770 -22.289 2.511 1.00 0.00 C ATOM 789 C ARG A 423 0.659 -22.209 0.992 1.00 0.00 C ATOM 790 O ARG A 423 0.869 -21.140 0.421 1.00 0.00 O ATOM 791 CB ARG A 423 1.967 -23.132 2.962 1.00 0.00 C ATOM 792 CG ARG A 423 3.305 -22.615 2.409 1.00 0.00 C ATOM 793 CD ARG A 423 3.603 -21.187 2.882 1.00 0.00 C ATOM 794 NE ARG A 423 4.962 -20.766 2.521 1.00 0.00 N ATOM 795 CZ ARG A 423 5.368 -19.498 2.338 1.00 0.00 C ATOM 796 NH1 ARG A 423 4.523 -18.468 2.466 1.00 0.00 N ATOM 797 NH2 ARG A 423 6.646 -19.270 2.021 1.00 0.00 N ATOM 0 H ARG A 423 -0.338 -23.650 3.643 1.00 0.00 H new ATOM 0 HA ARG A 423 0.934 -21.278 2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 423 2.009 -23.141 4.051 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.821 -24.163 2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 423 4.110 -23.278 2.726 1.00 0.00 H new ATOM 0 HG3 ARG A 423 3.282 -22.640 1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 423 2.881 -20.500 2.442 1.00 0.00 H new ATOM 0 HD3 ARG A 423 3.480 -21.129 3.963 1.00 0.00 H new ATOM 0 HE ARG A 423 5.659 -21.500 2.398 1.00 0.00 H new ATOM 0 HH11 ARG A 423 3.546 -18.636 2.708 1.00 0.00 H new ATOM 0 HH12 ARG A 423 4.856 -17.515 2.322 1.00 0.00 H new ATOM 0 HH21 ARG A 423 7.294 -20.051 1.922 1.00 0.00 H new ATOM 0 HH22 ARG A 423 6.973 -18.315 1.878 1.00 0.00 H new ATOM 811 N TRP A 424 0.320 -23.328 0.336 1.00 0.00 N ATOM 812 CA TRP A 424 0.188 -23.339 -1.115 1.00 0.00 C ATOM 813 C TRP A 424 -0.881 -22.358 -1.614 1.00 0.00 C ATOM 814 O TRP A 424 -0.706 -21.746 -2.664 1.00 0.00 O ATOM 815 CB TRP A 424 -0.082 -24.750 -1.630 1.00 0.00 C ATOM 816 CG TRP A 424 -0.184 -24.815 -3.123 1.00 0.00 C ATOM 817 CD1 TRP A 424 -1.307 -25.097 -3.815 1.00 0.00 C ATOM 818 CD2 TRP A 424 0.851 -24.584 -4.128 1.00 0.00 C ATOM 819 NE1 TRP A 424 -1.054 -25.066 -5.168 1.00 0.00 N ATOM 820 CE2 TRP A 424 0.267 -24.749 -5.420 1.00 0.00 C ATOM 821 CE3 TRP A 424 2.223 -24.250 -4.084 1.00 0.00 C ATOM 822 CZ2 TRP A 424 1.007 -24.593 -6.601 1.00 0.00 C ATOM 823 CZ3 TRP A 424 2.970 -24.096 -5.266 1.00 0.00 C ATOM 824 CH2 TRP A 424 2.367 -24.264 -6.522 1.00 0.00 C ATOM 0 H TRP A 424 0.136 -24.224 0.787 1.00 0.00 H new ATOM 0 HA TRP A 424 1.142 -23.001 -1.521 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.717 -25.412 -1.296 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.008 -25.121 -1.191 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -2.267 -25.316 -3.371 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -1.750 -25.253 -5.890 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.706 -24.111 -3.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 0.533 -24.725 -7.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 4.019 -23.846 -5.206 1.00 0.00 H new ATOM 0 HH2 TRP A 424 2.948 -24.140 -7.424 1.00 0.00 H new ATOM 835 N ARG A 425 -1.983 -22.202 -0.873 1.00 0.00 N ATOM 836 CA ARG A 425 -3.077 -21.302 -1.210 1.00 0.00 C ATOM 837 C ARG A 425 -2.545 -19.869 -1.249 1.00 0.00 C ATOM 838 O ARG A 425 -2.664 -19.200 -2.272 1.00 0.00 O ATOM 839 CB ARG A 425 -4.240 -21.514 -0.226 1.00 0.00 C ATOM 840 CG ARG A 425 -5.373 -20.489 -0.372 1.00 0.00 C ATOM 841 CD ARG A 425 -6.678 -20.936 0.313 1.00 0.00 C ATOM 842 NE ARG A 425 -6.504 -21.268 1.742 1.00 0.00 N ATOM 843 CZ ARG A 425 -7.447 -21.160 2.700 1.00 0.00 C ATOM 844 NH1 ARG A 425 -8.676 -20.707 2.419 1.00 0.00 N ATOM 845 NH2 ARG A 425 -7.158 -21.506 3.959 1.00 0.00 N ATOM 0 H ARG A 425 -2.137 -22.712 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 425 -3.479 -21.514 -2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -4.648 -22.515 -0.371 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -3.854 -21.471 0.792 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -5.053 -19.538 0.053 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -5.565 -20.316 -1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -7.420 -20.143 0.219 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -7.075 -21.807 -0.209 1.00 0.00 H new ATOM 0 HE ARG A 425 -5.587 -21.610 2.030 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -8.914 -20.436 1.465 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -9.374 -20.633 3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -6.227 -21.850 4.192 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -7.869 -21.426 4.686 1.00 0.00 H new ATOM 859 N THR A 426 -1.941 -19.405 -0.149 1.00 0.00 N ATOM 860 CA THR A 426 -1.366 -18.069 -0.058 1.00 0.00 C ATOM 861 C THR A 426 -0.334 -17.857 -1.172 1.00 0.00 C ATOM 862 O THR A 426 -0.361 -16.841 -1.868 1.00 0.00 O ATOM 863 CB THR A 426 -0.742 -17.886 1.335 1.00 0.00 C ATOM 864 OG1 THR A 426 -1.720 -18.154 2.321 1.00 0.00 O ATOM 865 CG2 THR A 426 -0.215 -16.462 1.541 1.00 0.00 C ATOM 0 H THR A 426 -1.840 -19.953 0.705 1.00 0.00 H new ATOM 0 HA THR A 426 -2.145 -17.318 -0.191 1.00 0.00 H new ATOM 0 HB THR A 426 0.097 -18.577 1.418 1.00 0.00 H new ATOM 0 HG1 THR A 426 -1.771 -19.120 2.477 1.00 0.00 H new ATOM 0 HG21 THR A 426 0.218 -16.375 2.538 1.00 0.00 H new ATOM 0 HG22 THR A 426 0.548 -16.245 0.794 1.00 0.00 H new ATOM 0 HG23 THR A 426 -1.036 -15.752 1.438 1.00 0.00 H new ATOM 873 N MET A 427 0.574 -18.827 -1.332 1.00 0.00 N ATOM 874 CA MET A 427 1.636 -18.807 -2.326 1.00 0.00 C ATOM 875 C MET A 427 1.085 -18.620 -3.739 1.00 0.00 C ATOM 876 O MET A 427 1.371 -17.610 -4.384 1.00 0.00 O ATOM 877 CB MET A 427 2.453 -20.104 -2.217 1.00 0.00 C ATOM 878 CG MET A 427 3.353 -20.114 -0.972 1.00 0.00 C ATOM 879 SD MET A 427 5.098 -19.719 -1.253 1.00 0.00 S ATOM 880 CE MET A 427 4.947 -18.220 -2.255 1.00 0.00 C ATOM 0 H MET A 427 0.584 -19.667 -0.754 1.00 0.00 H new ATOM 0 HA MET A 427 2.285 -17.954 -2.128 1.00 0.00 H new ATOM 0 HB2 MET A 427 1.776 -20.957 -2.182 1.00 0.00 H new ATOM 0 HB3 MET A 427 3.067 -20.222 -3.110 1.00 0.00 H new ATOM 0 HG2 MET A 427 2.951 -19.402 -0.251 1.00 0.00 H new ATOM 0 HG3 MET A 427 3.293 -21.101 -0.512 1.00 0.00 H new ATOM 0 HE1 MET A 427 5.939 -17.812 -2.451 1.00 0.00 H new ATOM 0 HE2 MET A 427 4.460 -18.462 -3.200 1.00 0.00 H new ATOM 0 HE3 MET A 427 4.351 -17.482 -1.718 1.00 0.00 H new ATOM 890 N LYS A 428 0.307 -19.591 -4.224 1.00 0.00 N ATOM 891 CA LYS A 428 -0.266 -19.554 -5.560 1.00 0.00 C ATOM 892 C LYS A 428 -1.159 -18.328 -5.779 1.00 0.00 C ATOM 893 O LYS A 428 -1.209 -17.796 -6.884 1.00 0.00 O ATOM 894 CB LYS A 428 -0.971 -20.881 -5.894 1.00 0.00 C ATOM 895 CG LYS A 428 -2.439 -20.946 -5.455 1.00 0.00 C ATOM 896 CD LYS A 428 -2.989 -22.364 -5.659 1.00 0.00 C ATOM 897 CE LYS A 428 -4.515 -22.356 -5.816 1.00 0.00 C ATOM 898 NZ LYS A 428 -5.043 -23.719 -6.011 1.00 0.00 N ATOM 0 H LYS A 428 0.059 -20.426 -3.694 1.00 0.00 H new ATOM 0 HA LYS A 428 0.554 -19.443 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -0.919 -21.045 -6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -0.426 -21.697 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -2.526 -20.661 -4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -3.030 -20.232 -6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -2.533 -22.809 -6.544 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -2.712 -22.989 -4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -4.971 -21.911 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -4.792 -21.732 -6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -6.031 -23.666 -6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -4.473 -24.213 -6.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -4.997 -24.241 -5.113 1.00 0.00 H new ATOM 912 N LYS A 429 -1.870 -17.875 -4.740 1.00 0.00 N ATOM 913 CA LYS A 429 -2.756 -16.727 -4.844 1.00 0.00 C ATOM 914 C LYS A 429 -1.990 -15.426 -5.094 1.00 0.00 C ATOM 915 O LYS A 429 -2.322 -14.701 -6.029 1.00 0.00 O ATOM 916 CB LYS A 429 -3.623 -16.624 -3.579 1.00 0.00 C ATOM 917 CG LYS A 429 -4.553 -15.403 -3.596 1.00 0.00 C ATOM 918 CD LYS A 429 -5.438 -15.403 -2.343 1.00 0.00 C ATOM 919 CE LYS A 429 -6.341 -14.165 -2.263 1.00 0.00 C ATOM 920 NZ LYS A 429 -5.575 -12.917 -2.073 1.00 0.00 N ATOM 0 H LYS A 429 -1.843 -18.296 -3.811 1.00 0.00 H new ATOM 0 HA LYS A 429 -3.402 -16.878 -5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -4.221 -17.530 -3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -2.976 -16.571 -2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -3.964 -14.487 -3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -5.175 -15.421 -4.491 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -6.056 -16.301 -2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -4.806 -15.446 -1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -6.931 -14.090 -3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -7.044 -14.285 -1.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -6.232 -12.128 -1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -4.942 -13.019 -1.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -5.010 -12.723 -2.924 1.00 0.00 H new