USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 394 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 421 GLN : amide:sc=-0.00869 K(o=-0.0087,f=-0.9) USER MOD Single : A 425 ASN : amide:sc= -0.0463 X(o=-0.046,f=-0.47) USER MOD Single : A 429 CYS SG : rot 180:sc= 0 USER MOD Single : A 435 ASN : amide:sc= -9.76! C(o=-9.8!,f=-11!) USER MOD Single : A 437 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 SER OG : rot 180:sc= -0.799 USER MOD Single : A 446 ASN : amide:sc=-0.00639 X(o=-0.0064,f=-0.33) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 449 THR OG1 : rot 180:sc= 0 USER MOD Single : A 451 MET CE :methyl -129:sc= -2.49 (180deg=-4.05) USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 HIS : no HD1:sc= 0.097 K(o=0.097,f=-5.6!) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 460 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 466 GLN : amide:sc= -0.121 K(o=-0.12,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 420 -10.310 1.616 5.988 1.00 0.00 N ATOM 67 CA PHE A 420 -9.609 0.393 5.616 1.00 0.00 C ATOM 68 C PHE A 420 -8.661 -0.050 6.727 1.00 0.00 C ATOM 69 O PHE A 420 -8.165 0.772 7.497 1.00 0.00 O ATOM 70 CB PHE A 420 -8.828 0.601 4.317 1.00 0.00 C ATOM 71 CG PHE A 420 -9.703 0.702 3.101 1.00 0.00 C ATOM 72 CD1 PHE A 420 -10.364 -0.413 2.613 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.865 1.913 2.446 1.00 0.00 C ATOM 74 CE1 PHE A 420 -11.171 -0.324 1.494 1.00 0.00 C ATOM 75 CE2 PHE A 420 -10.671 2.008 1.327 1.00 0.00 C ATOM 76 CZ PHE A 420 -11.323 0.888 0.850 1.00 0.00 C ATOM 0 HA PHE A 420 -10.353 -0.389 5.463 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -8.232 1.510 4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -8.131 -0.226 4.185 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -10.248 -1.363 3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -9.356 2.792 2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -11.682 -1.201 1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -10.791 2.957 0.826 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.951 0.960 -0.026 1.00 0.00 H new ATOM 86 N GLN A 421 -8.417 -1.354 6.803 1.00 0.00 N ATOM 87 CA GLN A 421 -7.530 -1.907 7.821 1.00 0.00 C ATOM 88 C GLN A 421 -6.246 -2.438 7.193 1.00 0.00 C ATOM 89 O GLN A 421 -6.251 -3.024 6.110 1.00 0.00 O ATOM 90 CB GLN A 421 -8.236 -3.024 8.590 1.00 0.00 C ATOM 91 CG GLN A 421 -9.164 -2.518 9.683 1.00 0.00 C ATOM 92 CD GLN A 421 -10.218 -3.536 10.071 1.00 0.00 C ATOM 93 OE1 GLN A 421 -10.125 -4.711 9.714 1.00 0.00 O ATOM 94 NE2 GLN A 421 -11.231 -3.089 10.805 1.00 0.00 N ATOM 0 H GLN A 421 -8.820 -2.047 6.173 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.270 -1.107 8.514 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -8.810 -3.630 7.889 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -7.486 -3.677 9.035 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -8.575 -2.257 10.562 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -9.653 -1.605 9.345 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -11.268 -2.107 11.079 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -11.972 -3.728 11.095 1.00 0.00 H new ATOM 103 N PRO A 422 -5.117 -2.230 7.887 1.00 0.00 N ATOM 104 CA PRO A 422 -3.804 -2.681 7.416 1.00 0.00 C ATOM 105 C PRO A 422 -3.664 -4.199 7.455 1.00 0.00 C ATOM 106 O PRO A 422 -4.419 -4.884 8.144 1.00 0.00 O ATOM 107 CB PRO A 422 -2.831 -2.029 8.402 1.00 0.00 C ATOM 108 CG PRO A 422 -3.631 -1.819 9.641 1.00 0.00 C ATOM 109 CD PRO A 422 -5.036 -1.539 9.185 1.00 0.00 C ATOM 0 HA PRO A 422 -3.627 -2.406 6.376 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -1.970 -2.670 8.591 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.447 -1.086 8.014 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.597 -2.700 10.281 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.237 -0.986 10.224 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.772 -1.923 9.891 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -5.220 -0.469 9.083 1.00 0.00 H new ATOM 117 N GLY A 423 -2.692 -4.718 6.711 1.00 0.00 N ATOM 118 CA GLY A 423 -2.471 -6.152 6.675 1.00 0.00 C ATOM 119 C GLY A 423 -3.125 -6.810 5.477 1.00 0.00 C ATOM 120 O GLY A 423 -2.954 -8.007 5.247 1.00 0.00 O ATOM 0 H GLY A 423 -2.054 -4.171 6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.399 -6.351 6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -2.861 -6.600 7.589 1.00 0.00 H new ATOM 124 N ASP A 424 -3.879 -6.027 4.713 1.00 0.00 N ATOM 125 CA ASP A 424 -4.562 -6.541 3.531 1.00 0.00 C ATOM 126 C ASP A 424 -3.649 -6.490 2.310 1.00 0.00 C ATOM 127 O ASP A 424 -2.707 -5.702 2.260 1.00 0.00 O ATOM 128 CB ASP A 424 -5.837 -5.739 3.264 1.00 0.00 C ATOM 129 CG ASP A 424 -6.995 -6.186 4.134 1.00 0.00 C ATOM 130 OD1 ASP A 424 -7.107 -7.403 4.395 1.00 0.00 O ATOM 131 OD2 ASP A 424 -7.790 -5.320 4.555 1.00 0.00 O ATOM 0 H ASP A 424 -4.033 -5.034 4.891 1.00 0.00 H new ATOM 0 HA ASP A 424 -4.829 -7.581 3.719 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -5.641 -4.681 3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -6.114 -5.841 2.215 1.00 0.00 H new ATOM 136 N ASN A 425 -3.936 -7.338 1.328 1.00 0.00 N ATOM 137 CA ASN A 425 -3.140 -7.391 0.107 1.00 0.00 C ATOM 138 C ASN A 425 -3.675 -6.413 -0.934 1.00 0.00 C ATOM 139 O ASN A 425 -4.833 -6.496 -1.343 1.00 0.00 O ATOM 140 CB ASN A 425 -3.138 -8.810 -0.464 1.00 0.00 C ATOM 141 CG ASN A 425 -3.047 -9.869 0.618 1.00 0.00 C ATOM 142 OD1 ASN A 425 -1.998 -10.055 1.233 1.00 0.00 O ATOM 143 ND2 ASN A 425 -4.151 -10.569 0.854 1.00 0.00 N ATOM 0 H ASN A 425 -4.714 -7.998 1.354 1.00 0.00 H new ATOM 0 HA ASN A 425 -2.118 -7.105 0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -4.047 -8.966 -1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -2.298 -8.922 -1.149 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -4.151 -11.295 1.570 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -4.999 -10.380 0.319 1.00 0.00 H new ATOM 150 N VAL A 426 -2.823 -5.485 -1.360 1.00 0.00 N ATOM 151 CA VAL A 426 -3.208 -4.492 -2.355 1.00 0.00 C ATOM 152 C VAL A 426 -2.105 -4.291 -3.388 1.00 0.00 C ATOM 153 O VAL A 426 -0.997 -4.804 -3.234 1.00 0.00 O ATOM 154 CB VAL A 426 -3.534 -3.137 -1.698 1.00 0.00 C ATOM 155 CG1 VAL A 426 -4.769 -3.253 -0.818 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.343 -2.635 -0.896 1.00 0.00 C ATOM 0 H VAL A 426 -1.861 -5.401 -1.031 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.101 -4.872 -2.851 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.745 -2.413 -2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -4.983 -2.286 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.620 -3.565 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -4.590 -3.991 -0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -2.590 -1.677 -0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -2.099 -3.357 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.485 -2.511 -1.557 1.00 0.00 H new ATOM 166 N GLU A 427 -2.416 -3.542 -4.441 1.00 0.00 N ATOM 167 CA GLU A 427 -1.450 -3.274 -5.499 1.00 0.00 C ATOM 168 C GLU A 427 -1.677 -1.893 -6.107 1.00 0.00 C ATOM 169 O GLU A 427 -2.790 -1.366 -6.081 1.00 0.00 O ATOM 170 CB GLU A 427 -1.545 -4.344 -6.589 1.00 0.00 C ATOM 171 CG GLU A 427 -0.766 -4.002 -7.848 1.00 0.00 C ATOM 172 CD GLU A 427 -0.467 -5.221 -8.699 1.00 0.00 C ATOM 173 OE1 GLU A 427 0.466 -5.974 -8.349 1.00 0.00 O ATOM 174 OE2 GLU A 427 -1.165 -5.422 -9.714 1.00 0.00 O ATOM 0 H GLU A 427 -3.329 -3.110 -4.584 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.453 -3.299 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -1.178 -5.290 -6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.593 -4.493 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -1.334 -3.282 -8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 427 0.171 -3.518 -7.571 1.00 0.00 H new ATOM 181 N VAL A 428 -0.614 -1.311 -6.653 1.00 0.00 N ATOM 182 CA VAL A 428 -0.697 0.009 -7.267 1.00 0.00 C ATOM 183 C VAL A 428 -1.471 -0.043 -8.580 1.00 0.00 C ATOM 184 O VAL A 428 -1.286 -0.956 -9.386 1.00 0.00 O ATOM 185 CB VAL A 428 0.704 0.592 -7.533 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.597 1.955 -8.201 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.497 0.684 -6.239 1.00 0.00 C ATOM 0 H VAL A 428 0.314 -1.733 -6.683 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.224 0.653 -6.563 1.00 0.00 H new ATOM 0 HB VAL A 428 1.235 -0.077 -8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.596 2.351 -8.381 1.00 0.00 H new ATOM 0 HG12 VAL A 428 0.070 1.855 -9.150 1.00 0.00 H new ATOM 0 HG13 VAL A 428 0.048 2.637 -7.551 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.484 1.098 -6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.972 1.331 -5.536 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.604 -0.311 -5.806 1.00 0.00 H new ATOM 197 N CYS A 429 -2.338 0.941 -8.788 1.00 0.00 N ATOM 198 CA CYS A 429 -3.142 1.007 -10.003 1.00 0.00 C ATOM 199 C CYS A 429 -2.376 1.701 -11.124 1.00 0.00 C ATOM 200 O CYS A 429 -2.280 1.183 -12.236 1.00 0.00 O ATOM 201 CB CYS A 429 -4.454 1.746 -9.732 1.00 0.00 C ATOM 202 SG CYS A 429 -5.608 1.737 -11.124 1.00 0.00 S ATOM 0 H CYS A 429 -2.502 1.704 -8.131 1.00 0.00 H new ATOM 0 HA CYS A 429 -3.366 -0.012 -10.317 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -4.941 1.295 -8.868 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -4.229 2.779 -9.468 1.00 0.00 H new ATOM 0 HG CYS A 429 -6.687 2.384 -10.797 1.00 0.00 H new ATOM 208 N GLU A 430 -1.834 2.878 -10.824 1.00 0.00 N ATOM 209 CA GLU A 430 -1.079 3.644 -11.808 1.00 0.00 C ATOM 210 C GLU A 430 0.192 4.219 -11.191 1.00 0.00 C ATOM 211 O GLU A 430 0.328 4.284 -9.970 1.00 0.00 O ATOM 212 CB GLU A 430 -1.939 4.773 -12.378 1.00 0.00 C ATOM 213 CG GLU A 430 -1.339 5.436 -13.606 1.00 0.00 C ATOM 214 CD GLU A 430 -1.021 4.443 -14.708 1.00 0.00 C ATOM 215 OE1 GLU A 430 -1.893 3.607 -15.023 1.00 0.00 O ATOM 216 OE2 GLU A 430 0.100 4.503 -15.254 1.00 0.00 O ATOM 0 H GLU A 430 -1.904 3.321 -9.908 1.00 0.00 H new ATOM 0 HA GLU A 430 -0.797 2.970 -12.616 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -2.921 4.376 -12.634 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -2.091 5.527 -11.606 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -2.034 6.185 -13.986 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -0.428 5.962 -13.322 1.00 0.00 H new ATOM 223 N GLY A 431 1.122 4.636 -12.045 1.00 0.00 N ATOM 224 CA GLY A 431 2.370 5.200 -11.566 1.00 0.00 C ATOM 225 C GLY A 431 3.542 4.256 -11.750 1.00 0.00 C ATOM 226 O GLY A 431 3.356 3.051 -11.909 1.00 0.00 O ATOM 0 H GLY A 431 1.033 4.593 -13.060 1.00 0.00 H new ATOM 0 HA2 GLY A 431 2.571 6.131 -12.096 1.00 0.00 H new ATOM 0 HA3 GLY A 431 2.271 5.449 -10.510 1.00 0.00 H new ATOM 230 N GLU A 432 4.752 4.807 -11.731 1.00 0.00 N ATOM 231 CA GLU A 432 5.958 4.004 -11.901 1.00 0.00 C ATOM 232 C GLU A 432 5.913 2.761 -11.016 1.00 0.00 C ATOM 233 O GLU A 432 6.455 1.713 -11.371 1.00 0.00 O ATOM 234 CB GLU A 432 7.200 4.834 -11.570 1.00 0.00 C ATOM 235 CG GLU A 432 8.489 4.247 -12.121 1.00 0.00 C ATOM 236 CD GLU A 432 9.037 3.130 -11.254 1.00 0.00 C ATOM 237 OE1 GLU A 432 8.635 3.042 -10.075 1.00 0.00 O ATOM 238 OE2 GLU A 432 9.868 2.343 -11.755 1.00 0.00 O ATOM 0 H GLU A 432 4.923 5.804 -11.600 1.00 0.00 H new ATOM 0 HA GLU A 432 6.009 3.686 -12.942 1.00 0.00 H new ATOM 0 HB2 GLU A 432 7.070 5.841 -11.967 1.00 0.00 H new ATOM 0 HB3 GLU A 432 7.287 4.927 -10.487 1.00 0.00 H new ATOM 0 HG2 GLU A 432 8.310 3.867 -13.127 1.00 0.00 H new ATOM 0 HG3 GLU A 432 9.236 5.036 -12.206 1.00 0.00 H new ATOM 245 N LEU A 433 5.265 2.886 -9.864 1.00 0.00 N ATOM 246 CA LEU A 433 5.149 1.774 -8.927 1.00 0.00 C ATOM 247 C LEU A 433 3.981 0.866 -9.301 1.00 0.00 C ATOM 248 O LEU A 433 3.452 0.140 -8.458 1.00 0.00 O ATOM 249 CB LEU A 433 4.966 2.298 -7.502 1.00 0.00 C ATOM 250 CG LEU A 433 6.204 2.914 -6.849 1.00 0.00 C ATOM 251 CD1 LEU A 433 5.804 3.814 -5.690 1.00 0.00 C ATOM 252 CD2 LEU A 433 7.155 1.825 -6.377 1.00 0.00 C ATOM 0 H LEU A 433 4.812 3.746 -9.556 1.00 0.00 H new ATOM 0 HA LEU A 433 6.069 1.192 -8.978 1.00 0.00 H new ATOM 0 HB2 LEU A 433 4.174 3.047 -7.511 1.00 0.00 H new ATOM 0 HB3 LEU A 433 4.621 1.476 -6.875 1.00 0.00 H new ATOM 0 HG LEU A 433 6.720 3.522 -7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 433 6.698 4.243 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 433 5.162 4.615 -6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 433 5.265 3.229 -4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 433 8.030 2.282 -5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 433 6.649 1.191 -5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.468 1.221 -7.229 1.00 0.00 H new ATOM 264 N ILE A 434 3.586 0.911 -10.569 1.00 0.00 N ATOM 265 CA ILE A 434 2.484 0.091 -11.054 1.00 0.00 C ATOM 266 C ILE A 434 2.789 -1.394 -10.887 1.00 0.00 C ATOM 267 O ILE A 434 3.936 -1.782 -10.670 1.00 0.00 O ATOM 268 CB ILE A 434 2.180 0.377 -12.537 1.00 0.00 C ATOM 269 CG1 ILE A 434 0.921 -0.375 -12.976 1.00 0.00 C ATOM 270 CG2 ILE A 434 3.366 -0.013 -13.406 1.00 0.00 C ATOM 271 CD1 ILE A 434 0.419 0.035 -14.342 1.00 0.00 C ATOM 0 H ILE A 434 4.013 1.507 -11.278 1.00 0.00 H new ATOM 0 HA ILE A 434 1.611 0.350 -10.456 1.00 0.00 H new ATOM 0 HB ILE A 434 2.003 1.446 -12.657 1.00 0.00 H new ATOM 0 HG12 ILE A 434 1.129 -1.445 -12.980 1.00 0.00 H new ATOM 0 HG13 ILE A 434 0.133 -0.207 -12.242 1.00 0.00 H new ATOM 0 HG21 ILE A 434 3.136 0.195 -14.451 1.00 0.00 H new ATOM 0 HG22 ILE A 434 4.242 0.562 -13.106 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.572 -1.077 -13.285 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -0.475 -0.538 -14.588 1.00 0.00 H new ATOM 0 HD12 ILE A 434 0.179 1.098 -14.337 1.00 0.00 H new ATOM 0 HD13 ILE A 434 1.191 -0.159 -15.087 1.00 0.00 H new ATOM 283 N ASN A 435 1.753 -2.221 -10.990 1.00 0.00 N ATOM 284 CA ASN A 435 1.910 -3.664 -10.851 1.00 0.00 C ATOM 285 C ASN A 435 2.812 -4.002 -9.668 1.00 0.00 C ATOM 286 O ASN A 435 3.624 -4.926 -9.737 1.00 0.00 O ATOM 287 CB ASN A 435 2.488 -4.261 -12.136 1.00 0.00 C ATOM 288 CG ASN A 435 3.687 -3.484 -12.645 1.00 0.00 C ATOM 289 OD1 ASN A 435 3.568 -2.664 -13.556 1.00 0.00 O ATOM 290 ND2 ASN A 435 4.850 -3.740 -12.059 1.00 0.00 N ATOM 0 H ASN A 435 0.796 -1.916 -11.169 1.00 0.00 H new ATOM 0 HA ASN A 435 0.926 -4.096 -10.669 1.00 0.00 H new ATOM 0 HB2 ASN A 435 2.779 -5.295 -11.954 1.00 0.00 H new ATOM 0 HB3 ASN A 435 1.716 -4.278 -12.905 1.00 0.00 H new ATOM 0 HD21 ASN A 435 5.692 -3.249 -12.360 1.00 0.00 H new ATOM 0 HD22 ASN A 435 4.902 -4.428 -11.308 1.00 0.00 H new ATOM 297 N LEU A 436 2.665 -3.248 -8.585 1.00 0.00 N ATOM 298 CA LEU A 436 3.466 -3.467 -7.385 1.00 0.00 C ATOM 299 C LEU A 436 2.612 -4.032 -6.256 1.00 0.00 C ATOM 300 O LEU A 436 1.853 -3.305 -5.615 1.00 0.00 O ATOM 301 CB LEU A 436 4.121 -2.158 -6.940 1.00 0.00 C ATOM 302 CG LEU A 436 4.924 -2.219 -5.640 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.231 -2.966 -5.854 1.00 0.00 C ATOM 304 CD2 LEU A 436 5.190 -0.817 -5.111 1.00 0.00 C ATOM 0 H LEU A 436 1.999 -2.479 -8.512 1.00 0.00 H new ATOM 0 HA LEU A 436 4.244 -4.192 -7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.782 -1.816 -7.737 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.341 -1.405 -6.827 1.00 0.00 H new ATOM 0 HG LEU A 436 4.337 -2.761 -4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 436 6.789 -2.999 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 436 6.019 -3.982 -6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 436 6.824 -2.453 -6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 436 5.762 -0.880 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 436 5.756 -0.251 -5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.242 -0.315 -4.918 1.00 0.00 H new ATOM 316 N GLN A 437 2.742 -5.333 -6.016 1.00 0.00 N ATOM 317 CA GLN A 437 1.983 -5.995 -4.961 1.00 0.00 C ATOM 318 C GLN A 437 2.640 -5.783 -3.602 1.00 0.00 C ATOM 319 O GLN A 437 3.860 -5.653 -3.504 1.00 0.00 O ATOM 320 CB GLN A 437 1.860 -7.491 -5.254 1.00 0.00 C ATOM 321 CG GLN A 437 3.185 -8.234 -5.189 1.00 0.00 C ATOM 322 CD GLN A 437 3.022 -9.733 -5.345 1.00 0.00 C ATOM 323 OE1 GLN A 437 3.036 -10.476 -4.363 1.00 0.00 O ATOM 324 NE2 GLN A 437 2.865 -10.186 -6.583 1.00 0.00 N ATOM 0 H GLN A 437 3.365 -5.949 -6.537 1.00 0.00 H new ATOM 0 HA GLN A 437 0.986 -5.554 -4.934 1.00 0.00 H new ATOM 0 HB2 GLN A 437 1.167 -7.937 -4.540 1.00 0.00 H new ATOM 0 HB3 GLN A 437 1.426 -7.624 -6.245 1.00 0.00 H new ATOM 0 HG2 GLN A 437 3.845 -7.861 -5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 437 3.669 -8.022 -4.236 1.00 0.00 H new ATOM 0 HE21 GLN A 437 2.860 -9.534 -7.368 1.00 0.00 H new ATOM 0 HE22 GLN A 437 2.750 -11.186 -6.749 1.00 0.00 H new ATOM 333 N GLY A 438 1.823 -5.748 -2.553 1.00 0.00 N ATOM 334 CA GLY A 438 2.343 -5.551 -1.213 1.00 0.00 C ATOM 335 C GLY A 438 1.257 -5.593 -0.157 1.00 0.00 C ATOM 336 O GLY A 438 0.068 -5.563 -0.477 1.00 0.00 O ATOM 0 H GLY A 438 0.810 -5.853 -2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 438 3.084 -6.320 -0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.856 -4.591 -1.164 1.00 0.00 H new ATOM 340 N LYS A 439 1.664 -5.665 1.106 1.00 0.00 N ATOM 341 CA LYS A 439 0.717 -5.712 2.214 1.00 0.00 C ATOM 342 C LYS A 439 0.665 -4.372 2.942 1.00 0.00 C ATOM 343 O LYS A 439 1.671 -3.669 3.039 1.00 0.00 O ATOM 344 CB LYS A 439 1.102 -6.822 3.194 1.00 0.00 C ATOM 345 CG LYS A 439 -0.087 -7.441 3.908 1.00 0.00 C ATOM 346 CD LYS A 439 0.314 -8.688 4.680 1.00 0.00 C ATOM 347 CE LYS A 439 0.477 -9.886 3.758 1.00 0.00 C ATOM 348 NZ LYS A 439 0.796 -11.128 4.514 1.00 0.00 N ATOM 0 H LYS A 439 2.644 -5.692 1.388 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.272 -5.923 1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 439 1.638 -7.603 2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 439 1.791 -6.418 3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -0.522 -6.712 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 439 -0.858 -7.694 3.180 1.00 0.00 H new ATOM 0 HD2 LYS A 439 1.249 -8.505 5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 439 -0.441 -8.908 5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 439 -0.440 -10.033 3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 439 1.270 -9.685 3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 0.899 -11.922 3.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 1.685 -10.997 5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 0.027 -11.334 5.183 1.00 0.00 H new ATOM 362 N ILE A 440 -0.512 -4.027 3.452 1.00 0.00 N ATOM 363 CA ILE A 440 -0.694 -2.773 4.173 1.00 0.00 C ATOM 364 C ILE A 440 -0.215 -2.895 5.616 1.00 0.00 C ATOM 365 O ILE A 440 -0.339 -3.952 6.236 1.00 0.00 O ATOM 366 CB ILE A 440 -2.168 -2.330 4.169 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.719 -2.328 2.742 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.309 -0.951 4.798 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.218 -2.520 2.672 1.00 0.00 C ATOM 0 H ILE A 440 -1.354 -4.598 3.379 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.097 -2.022 3.656 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.746 -3.039 4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.459 -1.384 2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.233 -3.120 2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.357 -0.652 4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -1.951 -0.982 5.827 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -1.720 -0.230 4.230 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.538 -2.508 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.484 -3.477 3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.714 -1.714 3.213 1.00 0.00 H new ATOM 381 N LEU A 441 0.330 -1.806 6.146 1.00 0.00 N ATOM 382 CA LEU A 441 0.827 -1.789 7.518 1.00 0.00 C ATOM 383 C LEU A 441 -0.040 -0.895 8.399 1.00 0.00 C ATOM 384 O LEU A 441 -0.276 -1.200 9.568 1.00 0.00 O ATOM 385 CB LEU A 441 2.277 -1.305 7.550 1.00 0.00 C ATOM 386 CG LEU A 441 3.348 -2.379 7.352 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.649 -1.753 6.875 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.568 -3.157 8.641 1.00 0.00 C ATOM 0 H LEU A 441 0.439 -0.923 5.647 1.00 0.00 H new ATOM 0 HA LEU A 441 0.782 -2.806 7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.403 -0.547 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.455 -0.815 8.508 1.00 0.00 H new ATOM 0 HG LEU A 441 3.002 -3.074 6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.399 -2.532 6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.481 -1.242 5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 441 5.001 -1.035 7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.333 -3.917 8.481 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.892 -2.475 9.427 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.636 -3.638 8.939 1.00 0.00 H new ATOM 400 N SER A 442 -0.512 0.210 7.830 1.00 0.00 N ATOM 401 CA SER A 442 -1.351 1.149 8.564 1.00 0.00 C ATOM 402 C SER A 442 -2.153 2.025 7.606 1.00 0.00 C ATOM 403 O SER A 442 -1.865 2.082 6.411 1.00 0.00 O ATOM 404 CB SER A 442 -0.493 2.026 9.478 1.00 0.00 C ATOM 405 OG SER A 442 0.273 2.951 8.725 1.00 0.00 O ATOM 0 H SER A 442 -0.327 0.476 6.863 1.00 0.00 H new ATOM 0 HA SER A 442 -2.048 0.575 9.174 1.00 0.00 H new ATOM 0 HB2 SER A 442 -1.133 2.564 10.177 1.00 0.00 H new ATOM 0 HB3 SER A 442 0.171 1.398 10.072 1.00 0.00 H new ATOM 0 HG SER A 442 0.811 3.501 9.332 1.00 0.00 H new ATOM 411 N VAL A 443 -3.161 2.706 8.141 1.00 0.00 N ATOM 412 CA VAL A 443 -4.005 3.581 7.335 1.00 0.00 C ATOM 413 C VAL A 443 -4.075 4.981 7.934 1.00 0.00 C ATOM 414 O VAL A 443 -4.515 5.161 9.070 1.00 0.00 O ATOM 415 CB VAL A 443 -5.433 3.018 7.204 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.322 3.989 6.443 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.409 1.658 6.524 1.00 0.00 C ATOM 0 H VAL A 443 -3.413 2.669 9.129 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.552 3.635 6.345 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.848 2.891 8.204 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.327 3.574 6.360 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.364 4.938 6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.913 4.151 5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.426 1.275 6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -4.975 1.756 5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.809 0.966 7.115 1.00 0.00 H new ATOM 427 N ASP A 444 -3.640 5.971 7.162 1.00 0.00 N ATOM 428 CA ASP A 444 -3.655 7.357 7.615 1.00 0.00 C ATOM 429 C ASP A 444 -4.551 8.210 6.723 1.00 0.00 C ATOM 430 O ASP A 444 -4.091 8.801 5.747 1.00 0.00 O ATOM 431 CB ASP A 444 -2.236 7.927 7.627 1.00 0.00 C ATOM 432 CG ASP A 444 -1.508 7.639 8.925 1.00 0.00 C ATOM 433 OD1 ASP A 444 -1.145 6.467 9.155 1.00 0.00 O ATOM 434 OD2 ASP A 444 -1.301 8.587 9.713 1.00 0.00 O ATOM 0 H ASP A 444 -3.273 5.839 6.220 1.00 0.00 H new ATOM 0 HA ASP A 444 -4.055 7.378 8.629 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.671 7.505 6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -2.279 9.005 7.469 1.00 0.00 H new ATOM 439 N GLY A 445 -5.835 8.269 7.065 1.00 0.00 N ATOM 440 CA GLY A 445 -6.776 9.052 6.285 1.00 0.00 C ATOM 441 C GLY A 445 -6.603 8.847 4.793 1.00 0.00 C ATOM 442 O GLY A 445 -6.839 7.755 4.278 1.00 0.00 O ATOM 0 H GLY A 445 -6.240 7.788 7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.793 8.782 6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.648 10.108 6.521 1.00 0.00 H new ATOM 446 N ASN A 446 -6.191 9.902 4.097 1.00 0.00 N ATOM 447 CA ASN A 446 -5.990 9.833 2.654 1.00 0.00 C ATOM 448 C ASN A 446 -4.705 9.082 2.319 1.00 0.00 C ATOM 449 O ASN A 446 -4.586 8.475 1.255 1.00 0.00 O ATOM 450 CB ASN A 446 -5.940 11.241 2.057 1.00 0.00 C ATOM 451 CG ASN A 446 -7.069 12.121 2.559 1.00 0.00 C ATOM 452 OD1 ASN A 446 -8.163 11.640 2.853 1.00 0.00 O ATOM 453 ND2 ASN A 446 -6.807 13.420 2.657 1.00 0.00 N ATOM 0 H ASN A 446 -5.990 10.814 4.508 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.831 9.291 2.221 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -4.985 11.704 2.304 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -5.990 11.174 0.970 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -7.528 14.062 2.987 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -5.885 13.775 2.402 1.00 0.00 H new ATOM 460 N LYS A 447 -3.744 9.126 3.236 1.00 0.00 N ATOM 461 CA LYS A 447 -2.468 8.448 3.041 1.00 0.00 C ATOM 462 C LYS A 447 -2.487 7.059 3.672 1.00 0.00 C ATOM 463 O LYS A 447 -3.061 6.862 4.743 1.00 0.00 O ATOM 464 CB LYS A 447 -1.330 9.277 3.643 1.00 0.00 C ATOM 465 CG LYS A 447 -0.964 10.498 2.816 1.00 0.00 C ATOM 466 CD LYS A 447 -1.856 11.682 3.147 1.00 0.00 C ATOM 467 CE LYS A 447 -1.493 12.297 4.490 1.00 0.00 C ATOM 468 NZ LYS A 447 -2.436 13.382 4.877 1.00 0.00 N ATOM 0 H LYS A 447 -3.825 9.625 4.122 1.00 0.00 H new ATOM 0 HA LYS A 447 -2.303 8.339 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.616 9.599 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.449 8.645 3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.077 10.763 2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.051 10.260 1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -1.767 12.436 2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -2.897 11.361 3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -1.497 11.522 5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -0.480 12.696 4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -2.154 13.775 5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -2.414 14.134 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -3.399 12.996 4.946 1.00 0.00 H new ATOM 482 N ILE A 448 -1.857 6.101 3.001 1.00 0.00 N ATOM 483 CA ILE A 448 -1.801 4.732 3.497 1.00 0.00 C ATOM 484 C ILE A 448 -0.371 4.202 3.485 1.00 0.00 C ATOM 485 O ILE A 448 0.215 3.985 2.423 1.00 0.00 O ATOM 486 CB ILE A 448 -2.692 3.793 2.662 1.00 0.00 C ATOM 487 CG1 ILE A 448 -4.006 4.489 2.301 1.00 0.00 C ATOM 488 CG2 ILE A 448 -2.960 2.503 3.422 1.00 0.00 C ATOM 489 CD1 ILE A 448 -5.008 4.512 3.434 1.00 0.00 C ATOM 0 H ILE A 448 -1.378 6.248 2.112 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.170 4.752 4.522 1.00 0.00 H new ATOM 0 HB ILE A 448 -2.169 3.545 1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -3.793 5.513 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.451 3.985 1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.591 1.850 2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -2.015 2.002 3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.466 2.732 4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -5.915 5.020 3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -5.250 3.490 3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.582 5.042 4.286 1.00 0.00 H new ATOM 501 N THR A 449 0.187 3.992 4.674 1.00 0.00 N ATOM 502 CA THR A 449 1.547 3.485 4.801 1.00 0.00 C ATOM 503 C THR A 449 1.586 1.969 4.650 1.00 0.00 C ATOM 504 O THR A 449 0.982 1.242 5.440 1.00 0.00 O ATOM 505 CB THR A 449 2.166 3.871 6.158 1.00 0.00 C ATOM 506 OG1 THR A 449 2.062 5.285 6.359 1.00 0.00 O ATOM 507 CG2 THR A 449 3.626 3.450 6.226 1.00 0.00 C ATOM 0 H THR A 449 -0.283 4.166 5.562 1.00 0.00 H new ATOM 0 HA THR A 449 2.130 3.941 4.001 1.00 0.00 H new ATOM 0 HB THR A 449 1.618 3.351 6.944 1.00 0.00 H new ATOM 0 HG1 THR A 449 2.456 5.522 7.224 1.00 0.00 H new ATOM 0 HG21 THR A 449 4.042 3.733 7.193 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.699 2.370 6.102 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.185 3.945 5.432 1.00 0.00 H new ATOM 515 N ILE A 450 2.301 1.498 3.634 1.00 0.00 N ATOM 516 CA ILE A 450 2.419 0.067 3.382 1.00 0.00 C ATOM 517 C ILE A 450 3.847 -0.307 3.001 1.00 0.00 C ATOM 518 O ILE A 450 4.723 0.553 2.914 1.00 0.00 O ATOM 519 CB ILE A 450 1.465 -0.388 2.263 1.00 0.00 C ATOM 520 CG1 ILE A 450 1.943 0.141 0.909 1.00 0.00 C ATOM 521 CG2 ILE A 450 0.047 0.082 2.551 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.330 -0.580 -0.272 1.00 0.00 C ATOM 0 H ILE A 450 2.807 2.086 2.972 1.00 0.00 H new ATOM 0 HA ILE A 450 2.147 -0.440 4.308 1.00 0.00 H new ATOM 0 HB ILE A 450 1.465 -1.477 2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.707 1.203 0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.028 0.052 0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.615 -0.248 1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.291 -0.339 3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 450 0.030 1.170 2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.714 -0.153 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.588 -1.638 -0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.246 -0.469 -0.243 1.00 0.00 H new ATOM 534 N MET A 451 4.074 -1.597 2.773 1.00 0.00 N ATOM 535 CA MET A 451 5.396 -2.085 2.398 1.00 0.00 C ATOM 536 C MET A 451 5.296 -3.126 1.288 1.00 0.00 C ATOM 537 O MET A 451 4.691 -4.186 1.451 1.00 0.00 O ATOM 538 CB MET A 451 6.106 -2.685 3.614 1.00 0.00 C ATOM 539 CG MET A 451 7.205 -3.670 3.251 1.00 0.00 C ATOM 540 SD MET A 451 8.531 -3.712 4.472 1.00 0.00 S ATOM 541 CE MET A 451 9.363 -2.165 4.122 1.00 0.00 C ATOM 0 H MET A 451 3.360 -2.322 2.841 1.00 0.00 H new ATOM 0 HA MET A 451 5.977 -1.240 2.028 1.00 0.00 H new ATOM 0 HB2 MET A 451 6.534 -1.878 4.209 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.371 -3.189 4.242 1.00 0.00 H new ATOM 0 HG2 MET A 451 6.776 -4.667 3.152 1.00 0.00 H new ATOM 0 HG3 MET A 451 7.620 -3.404 2.279 1.00 0.00 H new ATOM 0 HE1 MET A 451 10.430 -2.346 3.996 1.00 0.00 H new ATOM 0 HE2 MET A 451 8.958 -1.733 3.207 1.00 0.00 H new ATOM 0 HE3 MET A 451 9.208 -1.473 4.950 1.00 0.00 H new ATOM 551 N PRO A 452 5.903 -2.820 0.132 1.00 0.00 N ATOM 552 CA PRO A 452 5.896 -3.717 -1.028 1.00 0.00 C ATOM 553 C PRO A 452 6.743 -4.964 -0.801 1.00 0.00 C ATOM 554 O PRO A 452 7.573 -5.007 0.108 1.00 0.00 O ATOM 555 CB PRO A 452 6.497 -2.858 -2.144 1.00 0.00 C ATOM 556 CG PRO A 452 7.338 -1.852 -1.437 1.00 0.00 C ATOM 557 CD PRO A 452 6.643 -1.574 -0.133 1.00 0.00 C ATOM 0 HA PRO A 452 4.896 -4.089 -1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.093 -3.460 -2.830 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.718 -2.377 -2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.345 -2.234 -1.269 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.437 -0.942 -2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.355 -1.352 0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 452 5.973 -0.717 -0.209 1.00 0.00 H new ATOM 565 N LYS A 453 6.530 -5.978 -1.632 1.00 0.00 N ATOM 566 CA LYS A 453 7.274 -7.227 -1.524 1.00 0.00 C ATOM 567 C LYS A 453 8.242 -7.386 -2.692 1.00 0.00 C ATOM 568 O LYS A 453 7.959 -8.103 -3.653 1.00 0.00 O ATOM 569 CB LYS A 453 6.312 -8.416 -1.480 1.00 0.00 C ATOM 570 CG LYS A 453 5.461 -8.463 -0.223 1.00 0.00 C ATOM 571 CD LYS A 453 6.277 -8.887 0.987 1.00 0.00 C ATOM 572 CE LYS A 453 5.619 -8.445 2.286 1.00 0.00 C ATOM 573 NZ LYS A 453 6.549 -8.555 3.444 1.00 0.00 N ATOM 0 H LYS A 453 5.847 -5.959 -2.389 1.00 0.00 H new ATOM 0 HA LYS A 453 7.849 -7.199 -0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.657 -8.375 -2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 453 6.886 -9.340 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.023 -7.481 -0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.635 -9.159 -0.368 1.00 0.00 H new ATOM 0 HD2 LYS A 453 6.393 -9.971 0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 453 7.277 -8.459 0.921 1.00 0.00 H new ATOM 0 HE2 LYS A 453 5.280 -7.414 2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 453 4.735 -9.055 2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 6.064 -8.245 4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 6.853 -9.544 3.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 7.381 -7.953 3.279 1.00 0.00 H new ATOM 587 N HIS A 454 9.386 -6.714 -2.603 1.00 0.00 N ATOM 588 CA HIS A 454 10.397 -6.783 -3.652 1.00 0.00 C ATOM 589 C HIS A 454 11.779 -7.043 -3.059 1.00 0.00 C ATOM 590 O HIS A 454 11.931 -7.153 -1.843 1.00 0.00 O ATOM 591 CB HIS A 454 10.412 -5.486 -4.461 1.00 0.00 C ATOM 592 CG HIS A 454 10.896 -5.663 -5.868 1.00 0.00 C ATOM 593 ND1 HIS A 454 12.171 -5.329 -6.273 1.00 0.00 N ATOM 594 CD2 HIS A 454 10.268 -6.144 -6.966 1.00 0.00 C ATOM 595 CE1 HIS A 454 12.305 -5.595 -7.560 1.00 0.00 C ATOM 596 NE2 HIS A 454 11.165 -6.091 -8.004 1.00 0.00 N ATOM 0 H HIS A 454 9.636 -6.116 -1.815 1.00 0.00 H new ATOM 0 HA HIS A 454 10.143 -7.612 -4.313 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.405 -5.069 -4.482 1.00 0.00 H new ATOM 0 HB3 HIS A 454 11.048 -4.759 -3.955 1.00 0.00 H new ATOM 0 HD2 HIS A 454 9.251 -6.503 -7.016 1.00 0.00 H new ATOM 0 HE1 HIS A 454 13.196 -5.434 -8.149 1.00 0.00 H new ATOM 0 HE2 HIS A 454 10.981 -6.387 -8.963 1.00 0.00 H new ATOM 604 N GLU A 455 12.781 -7.140 -3.927 1.00 0.00 N ATOM 605 CA GLU A 455 14.149 -7.388 -3.487 1.00 0.00 C ATOM 606 C GLU A 455 14.925 -6.080 -3.360 1.00 0.00 C ATOM 607 O GLU A 455 15.752 -5.922 -2.461 1.00 0.00 O ATOM 608 CB GLU A 455 14.861 -8.322 -4.467 1.00 0.00 C ATOM 609 CG GLU A 455 14.417 -9.771 -4.359 1.00 0.00 C ATOM 610 CD GLU A 455 15.245 -10.563 -3.365 1.00 0.00 C ATOM 611 OE1 GLU A 455 16.482 -10.612 -3.531 1.00 0.00 O ATOM 612 OE2 GLU A 455 14.657 -11.132 -2.423 1.00 0.00 O ATOM 0 H GLU A 455 12.672 -7.051 -4.937 1.00 0.00 H new ATOM 0 HA GLU A 455 14.108 -7.863 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 455 14.684 -7.971 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 455 15.936 -8.266 -4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 455 13.369 -9.805 -4.061 1.00 0.00 H new ATOM 0 HG3 GLU A 455 14.485 -10.242 -5.340 1.00 0.00 H new ATOM 619 N ASP A 456 14.653 -5.147 -4.265 1.00 0.00 N ATOM 620 CA ASP A 456 15.325 -3.852 -4.254 1.00 0.00 C ATOM 621 C ASP A 456 14.841 -2.999 -3.086 1.00 0.00 C ATOM 622 O ASP A 456 15.604 -2.691 -2.170 1.00 0.00 O ATOM 623 CB ASP A 456 15.083 -3.118 -5.574 1.00 0.00 C ATOM 624 CG ASP A 456 15.879 -1.831 -5.674 1.00 0.00 C ATOM 625 OD1 ASP A 456 15.589 -0.892 -4.903 1.00 0.00 O ATOM 626 OD2 ASP A 456 16.792 -1.763 -6.523 1.00 0.00 O ATOM 0 H ASP A 456 13.972 -5.263 -5.016 1.00 0.00 H new ATOM 0 HA ASP A 456 16.394 -4.025 -4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 456 15.349 -3.772 -6.404 1.00 0.00 H new ATOM 0 HB3 ASP A 456 14.021 -2.894 -5.673 1.00 0.00 H new ATOM 631 N LEU A 457 13.568 -2.619 -3.126 1.00 0.00 N ATOM 632 CA LEU A 457 12.982 -1.799 -2.071 1.00 0.00 C ATOM 633 C LEU A 457 13.228 -2.419 -0.699 1.00 0.00 C ATOM 634 O LEU A 457 12.717 -3.496 -0.392 1.00 0.00 O ATOM 635 CB LEU A 457 11.479 -1.631 -2.305 1.00 0.00 C ATOM 636 CG LEU A 457 11.077 -0.912 -3.593 1.00 0.00 C ATOM 637 CD1 LEU A 457 9.642 -1.248 -3.966 1.00 0.00 C ATOM 638 CD2 LEU A 457 11.252 0.592 -3.442 1.00 0.00 C ATOM 0 H LEU A 457 12.923 -2.865 -3.877 1.00 0.00 H new ATOM 0 HA LEU A 457 13.460 -0.820 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 457 11.019 -2.619 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 457 11.059 -1.084 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 457 11.730 -1.255 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 457 9.374 -0.727 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 457 9.548 -2.323 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 457 8.975 -0.935 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 457 10.961 1.087 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 457 10.625 0.951 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 457 12.296 0.817 -3.223 1.00 0.00 H new ATOM 650 N LYS A 458 14.012 -1.730 0.123 1.00 0.00 N ATOM 651 CA LYS A 458 14.324 -2.210 1.464 1.00 0.00 C ATOM 652 C LYS A 458 13.701 -1.307 2.524 1.00 0.00 C ATOM 653 O LYS A 458 14.205 -1.208 3.643 1.00 0.00 O ATOM 654 CB LYS A 458 15.840 -2.278 1.664 1.00 0.00 C ATOM 655 CG LYS A 458 16.459 -3.580 1.185 1.00 0.00 C ATOM 656 CD LYS A 458 17.768 -3.871 1.899 1.00 0.00 C ATOM 657 CE LYS A 458 18.352 -5.208 1.469 1.00 0.00 C ATOM 658 NZ LYS A 458 19.521 -5.597 2.305 1.00 0.00 N ATOM 0 H LYS A 458 14.443 -0.837 -0.116 1.00 0.00 H new ATOM 0 HA LYS A 458 13.904 -3.210 1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 458 16.306 -1.447 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 458 16.065 -2.146 2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 458 15.761 -4.400 1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 458 16.634 -3.527 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 458 18.483 -3.076 1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 458 17.603 -3.874 2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 458 17.584 -5.979 1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 458 18.656 -5.152 0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 19.890 -6.513 1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 20.264 -4.875 2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 19.226 -5.675 3.299 1.00 0.00 H new ATOM 672 N ASP A 459 12.603 -0.652 2.165 1.00 0.00 N ATOM 673 CA ASP A 459 11.909 0.241 3.086 1.00 0.00 C ATOM 674 C ASP A 459 10.422 0.316 2.754 1.00 0.00 C ATOM 675 O ASP A 459 9.988 -0.142 1.698 1.00 0.00 O ATOM 676 CB ASP A 459 12.527 1.640 3.036 1.00 0.00 C ATOM 677 CG ASP A 459 12.207 2.458 4.271 1.00 0.00 C ATOM 678 OD1 ASP A 459 12.600 2.037 5.379 1.00 0.00 O ATOM 679 OD2 ASP A 459 11.564 3.519 4.130 1.00 0.00 O ATOM 0 H ASP A 459 12.174 -0.722 1.242 1.00 0.00 H new ATOM 0 HA ASP A 459 12.018 -0.160 4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 459 13.608 1.553 2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 459 12.163 2.164 2.152 1.00 0.00 H new ATOM 684 N MET A 460 9.647 0.896 3.664 1.00 0.00 N ATOM 685 CA MET A 460 8.208 1.031 3.467 1.00 0.00 C ATOM 686 C MET A 460 7.885 2.285 2.661 1.00 0.00 C ATOM 687 O MET A 460 8.719 3.181 2.527 1.00 0.00 O ATOM 688 CB MET A 460 7.490 1.079 4.817 1.00 0.00 C ATOM 689 CG MET A 460 7.613 2.419 5.524 1.00 0.00 C ATOM 690 SD MET A 460 9.181 2.604 6.393 1.00 0.00 S ATOM 691 CE MET A 460 8.630 2.567 8.097 1.00 0.00 C ATOM 0 H MET A 460 9.990 1.280 4.544 1.00 0.00 H new ATOM 0 HA MET A 460 7.859 0.162 2.909 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.434 0.853 4.666 1.00 0.00 H new ATOM 0 HB3 MET A 460 7.894 0.299 5.462 1.00 0.00 H new ATOM 0 HG2 MET A 460 7.510 3.222 4.794 1.00 0.00 H new ATOM 0 HG3 MET A 460 6.793 2.527 6.234 1.00 0.00 H new ATOM 0 HE1 MET A 460 9.489 2.671 8.760 1.00 0.00 H new ATOM 0 HE2 MET A 460 7.935 3.388 8.273 1.00 0.00 H new ATOM 0 HE3 MET A 460 8.130 1.619 8.297 1.00 0.00 H new ATOM 701 N LEU A 461 6.670 2.342 2.126 1.00 0.00 N ATOM 702 CA LEU A 461 6.236 3.486 1.333 1.00 0.00 C ATOM 703 C LEU A 461 4.847 3.950 1.760 1.00 0.00 C ATOM 704 O LEU A 461 4.171 3.280 2.539 1.00 0.00 O ATOM 705 CB LEU A 461 6.232 3.128 -0.155 1.00 0.00 C ATOM 706 CG LEU A 461 7.592 2.797 -0.769 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.082 1.442 -0.282 1.00 0.00 C ATOM 708 CD2 LEU A 461 7.511 2.823 -2.289 1.00 0.00 C ATOM 0 H LEU A 461 5.968 1.609 2.227 1.00 0.00 H new ATOM 0 HA LEU A 461 6.939 4.302 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.572 2.273 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 461 5.800 3.962 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 461 8.308 3.555 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.051 1.223 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.179 1.459 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.367 0.671 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 461 8.488 2.585 -2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 461 6.781 2.087 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.205 3.815 -2.620 1.00 0.00 H new ATOM 720 N GLU A 462 4.428 5.101 1.242 1.00 0.00 N ATOM 721 CA GLU A 462 3.119 5.653 1.570 1.00 0.00 C ATOM 722 C GLU A 462 2.376 6.078 0.306 1.00 0.00 C ATOM 723 O GLU A 462 2.834 6.951 -0.432 1.00 0.00 O ATOM 724 CB GLU A 462 3.267 6.848 2.514 1.00 0.00 C ATOM 725 CG GLU A 462 4.116 6.555 3.740 1.00 0.00 C ATOM 726 CD GLU A 462 5.587 6.846 3.514 1.00 0.00 C ATOM 727 OE1 GLU A 462 5.907 7.968 3.066 1.00 0.00 O ATOM 728 OE2 GLU A 462 6.418 5.954 3.783 1.00 0.00 O ATOM 0 H GLU A 462 4.975 5.668 0.595 1.00 0.00 H new ATOM 0 HA GLU A 462 2.539 4.876 2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 462 3.710 7.680 1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 462 2.277 7.170 2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 462 3.756 7.152 4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 462 3.995 5.508 4.019 1.00 0.00 H new ATOM 735 N PHE A 463 1.228 5.455 0.065 1.00 0.00 N ATOM 736 CA PHE A 463 0.422 5.767 -1.110 1.00 0.00 C ATOM 737 C PHE A 463 -1.011 6.107 -0.711 1.00 0.00 C ATOM 738 O PHE A 463 -1.533 5.626 0.295 1.00 0.00 O ATOM 739 CB PHE A 463 0.426 4.587 -2.085 1.00 0.00 C ATOM 740 CG PHE A 463 1.746 3.875 -2.159 1.00 0.00 C ATOM 741 CD1 PHE A 463 2.796 4.409 -2.888 1.00 0.00 C ATOM 742 CD2 PHE A 463 1.937 2.672 -1.500 1.00 0.00 C ATOM 743 CE1 PHE A 463 4.013 3.757 -2.958 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.151 2.015 -1.566 1.00 0.00 C ATOM 745 CZ PHE A 463 4.190 2.557 -2.297 1.00 0.00 C ATOM 0 H PHE A 463 0.835 4.732 0.667 1.00 0.00 H new ATOM 0 HA PHE A 463 0.860 6.636 -1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.345 3.877 -1.786 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.160 4.946 -3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 463 2.662 5.346 -3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 463 1.128 2.242 -0.928 1.00 0.00 H new ATOM 0 HE1 PHE A 463 4.824 4.185 -3.528 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.287 1.078 -1.046 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.139 2.044 -2.352 1.00 0.00 H new ATOM 755 N PRO A 464 -1.664 6.957 -1.518 1.00 0.00 N ATOM 756 CA PRO A 464 -3.045 7.381 -1.271 1.00 0.00 C ATOM 757 C PRO A 464 -4.046 6.251 -1.489 1.00 0.00 C ATOM 758 O PRO A 464 -3.834 5.375 -2.326 1.00 0.00 O ATOM 759 CB PRO A 464 -3.263 8.495 -2.297 1.00 0.00 C ATOM 760 CG PRO A 464 -2.302 8.193 -3.394 1.00 0.00 C ATOM 761 CD PRO A 464 -1.103 7.569 -2.734 1.00 0.00 C ATOM 0 HA PRO A 464 -3.196 7.698 -0.239 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -4.290 8.502 -2.661 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -3.072 9.476 -1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.743 7.514 -4.124 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -2.024 9.100 -3.930 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.631 6.826 -3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.343 8.313 -2.496 1.00 0.00 H new ATOM 769 N ALA A 465 -5.137 6.280 -0.731 1.00 0.00 N ATOM 770 CA ALA A 465 -6.172 5.259 -0.844 1.00 0.00 C ATOM 771 C ALA A 465 -6.647 5.117 -2.286 1.00 0.00 C ATOM 772 O ALA A 465 -7.293 4.131 -2.641 1.00 0.00 O ATOM 773 CB ALA A 465 -7.343 5.592 0.070 1.00 0.00 C ATOM 0 H ALA A 465 -5.327 6.999 -0.033 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.744 4.306 -0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -8.109 4.822 -0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -6.997 5.636 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.763 6.557 -0.213 1.00 0.00 H new ATOM 779 N GLN A 466 -6.325 6.107 -3.111 1.00 0.00 N ATOM 780 CA GLN A 466 -6.721 6.091 -4.514 1.00 0.00 C ATOM 781 C GLN A 466 -5.697 5.343 -5.360 1.00 0.00 C ATOM 782 O GLN A 466 -6.039 4.747 -6.381 1.00 0.00 O ATOM 783 CB GLN A 466 -6.885 7.520 -5.036 1.00 0.00 C ATOM 784 CG GLN A 466 -6.867 7.620 -6.552 1.00 0.00 C ATOM 785 CD GLN A 466 -7.545 8.876 -7.063 1.00 0.00 C ATOM 786 OE1 GLN A 466 -8.210 9.586 -6.309 1.00 0.00 O ATOM 787 NE2 GLN A 466 -7.379 9.157 -8.350 1.00 0.00 N ATOM 0 H GLN A 466 -5.791 6.930 -2.833 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.677 5.572 -4.590 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -7.825 7.928 -4.665 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -6.086 8.140 -4.630 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -5.835 7.602 -6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -7.362 6.746 -6.976 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -6.819 8.540 -8.939 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -7.811 9.990 -8.750 1.00 0.00 H new ATOM 796 N GLU A 467 -4.440 5.378 -4.929 1.00 0.00 N ATOM 797 CA GLU A 467 -3.366 4.704 -5.649 1.00 0.00 C ATOM 798 C GLU A 467 -3.295 3.229 -5.262 1.00 0.00 C ATOM 799 O GLU A 467 -2.707 2.416 -5.977 1.00 0.00 O ATOM 800 CB GLU A 467 -2.025 5.383 -5.363 1.00 0.00 C ATOM 801 CG GLU A 467 -1.816 6.670 -6.143 1.00 0.00 C ATOM 802 CD GLU A 467 -1.446 6.420 -7.592 1.00 0.00 C ATOM 803 OE1 GLU A 467 -1.067 5.276 -7.920 1.00 0.00 O ATOM 804 OE2 GLU A 467 -1.537 7.369 -8.399 1.00 0.00 O ATOM 0 H GLU A 467 -4.140 5.866 -4.085 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.579 4.773 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.957 5.599 -4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -1.218 4.689 -5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -2.727 7.267 -6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -1.030 7.255 -5.667 1.00 0.00 H new ATOM 811 N LEU A 468 -3.897 2.891 -4.127 1.00 0.00 N ATOM 812 CA LEU A 468 -3.902 1.515 -3.644 1.00 0.00 C ATOM 813 C LEU A 468 -5.262 0.863 -3.873 1.00 0.00 C ATOM 814 O LEU A 468 -6.299 1.428 -3.525 1.00 0.00 O ATOM 815 CB LEU A 468 -3.548 1.475 -2.156 1.00 0.00 C ATOM 816 CG LEU A 468 -2.067 1.643 -1.814 1.00 0.00 C ATOM 817 CD1 LEU A 468 -1.886 1.857 -0.319 1.00 0.00 C ATOM 818 CD2 LEU A 468 -1.271 0.434 -2.282 1.00 0.00 C ATOM 0 H LEU A 468 -4.388 3.551 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.153 0.956 -4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -4.109 2.260 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.889 0.524 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.691 2.524 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.826 1.975 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -2.424 2.754 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -2.278 0.996 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -0.219 0.571 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.648 -0.463 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.374 0.326 -3.362 1.00 0.00 H new ATOM 830 N ARG A 469 -5.249 -0.331 -4.458 1.00 0.00 N ATOM 831 CA ARG A 469 -6.481 -1.060 -4.732 1.00 0.00 C ATOM 832 C ARG A 469 -6.284 -2.559 -4.520 1.00 0.00 C ATOM 833 O ARG A 469 -5.170 -3.071 -4.632 1.00 0.00 O ATOM 834 CB ARG A 469 -6.949 -0.794 -6.163 1.00 0.00 C ATOM 835 CG ARG A 469 -5.836 -0.883 -7.195 1.00 0.00 C ATOM 836 CD ARG A 469 -5.468 -2.328 -7.493 1.00 0.00 C ATOM 837 NE ARG A 469 -4.939 -2.490 -8.845 1.00 0.00 N ATOM 838 CZ ARG A 469 -4.472 -3.640 -9.318 1.00 0.00 C ATOM 839 NH1 ARG A 469 -4.467 -4.723 -8.553 1.00 0.00 N ATOM 840 NH2 ARG A 469 -4.008 -3.708 -10.559 1.00 0.00 N ATOM 0 H ARG A 469 -4.399 -0.813 -4.751 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.244 -0.709 -4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -7.729 -1.510 -6.420 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -7.399 0.198 -6.211 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -6.150 -0.389 -8.115 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -4.957 -0.350 -6.831 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -4.727 -2.670 -6.770 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -6.348 -2.959 -7.370 1.00 0.00 H new ATOM 0 HE ARG A 469 -4.928 -1.676 -9.459 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -4.823 -4.675 -7.598 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -4.108 -5.605 -8.919 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -4.010 -2.877 -11.150 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -3.649 -4.591 -10.922 1.00 0.00 H new