USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=7 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 X(o=0,f=0) USER MOD Single : A 425 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 429 CYS SG : rot -20:sc= 0.171 USER MOD Single : A 435 ASN :FLIP amide:sc= -7.21! C(o=-7.9!,f=-7.2!) USER MOD Single : A 437 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 SER OG : rot 29:sc= 0.374 USER MOD Single : A 446 ASN : amide:sc= -0.822 K(o=-0.82,f=-11!) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 449 THR OG1 : rot -19:sc= 0.74 USER MOD Single : A 451 MET CE :methyl -145:sc= -2.95 (180deg=-3.41) USER MOD Single : A 453 LYS NZ :NH3+ 137:sc= -0.454 (180deg=-1.74!) USER MOD Single : A 454 HIS : no HD1:sc= 0.483 K(o=0.48,f=-4.7!) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 460 MET CE :methyl -160:sc= -0.0363 (180deg=-0.297) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 420 -10.423 1.426 5.730 1.00 0.00 N ATOM 67 CA PHE A 420 -9.730 0.175 5.440 1.00 0.00 C ATOM 68 C PHE A 420 -8.821 -0.224 6.598 1.00 0.00 C ATOM 69 O PHE A 420 -8.542 0.580 7.487 1.00 0.00 O ATOM 70 CB PHE A 420 -8.910 0.308 4.155 1.00 0.00 C ATOM 71 CG PHE A 420 -9.732 0.686 2.956 1.00 0.00 C ATOM 72 CD1 PHE A 420 -10.366 -0.287 2.199 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.870 2.014 2.585 1.00 0.00 C ATOM 74 CE1 PHE A 420 -11.123 0.058 1.095 1.00 0.00 C ATOM 75 CE2 PHE A 420 -10.626 2.364 1.482 1.00 0.00 C ATOM 76 CZ PHE A 420 -11.253 1.385 0.736 1.00 0.00 C ATOM 0 HA PHE A 420 -10.480 -0.604 5.305 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -8.134 1.059 4.305 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -8.405 -0.637 3.956 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -10.267 -1.326 2.475 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -9.382 2.784 3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -11.612 -0.710 0.514 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -10.726 3.403 1.204 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.844 1.657 -0.126 1.00 0.00 H new ATOM 86 N GLN A 421 -8.363 -1.472 6.580 1.00 0.00 N ATOM 87 CA GLN A 421 -7.486 -1.978 7.629 1.00 0.00 C ATOM 88 C GLN A 421 -6.165 -2.468 7.045 1.00 0.00 C ATOM 89 O GLN A 421 -6.116 -3.061 5.967 1.00 0.00 O ATOM 90 CB GLN A 421 -8.171 -3.113 8.392 1.00 0.00 C ATOM 91 CG GLN A 421 -9.595 -2.789 8.814 1.00 0.00 C ATOM 92 CD GLN A 421 -9.660 -2.072 10.148 1.00 0.00 C ATOM 93 OE1 GLN A 421 -9.740 -0.844 10.203 1.00 0.00 O ATOM 94 NE2 GLN A 421 -9.624 -2.836 11.233 1.00 0.00 N ATOM 0 H GLN A 421 -8.585 -2.150 5.851 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.277 -1.160 8.318 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -8.180 -4.006 7.767 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -7.583 -3.350 9.279 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -10.064 -2.169 8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -10.171 -3.712 8.874 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -9.557 -3.850 11.141 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -9.663 -2.409 12.159 1.00 0.00 H new ATOM 103 N PRO A 422 -5.066 -2.215 7.771 1.00 0.00 N ATOM 104 CA PRO A 422 -3.724 -2.622 7.345 1.00 0.00 C ATOM 105 C PRO A 422 -3.532 -4.134 7.400 1.00 0.00 C ATOM 106 O PRO A 422 -4.295 -4.843 8.054 1.00 0.00 O ATOM 107 CB PRO A 422 -2.806 -1.930 8.354 1.00 0.00 C ATOM 108 CG PRO A 422 -3.650 -1.740 9.567 1.00 0.00 C ATOM 109 CD PRO A 422 -5.049 -1.513 9.066 1.00 0.00 C ATOM 0 HA PRO A 422 -3.525 -2.348 6.309 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -1.929 -2.539 8.574 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.444 -0.976 7.970 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.605 -2.615 10.215 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.303 -0.890 10.155 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.792 -1.918 9.753 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -5.267 -0.451 8.950 1.00 0.00 H new ATOM 117 N GLY A 423 -2.506 -4.621 6.708 1.00 0.00 N ATOM 118 CA GLY A 423 -2.232 -6.046 6.692 1.00 0.00 C ATOM 119 C GLY A 423 -2.936 -6.759 5.555 1.00 0.00 C ATOM 120 O GLY A 423 -2.881 -7.985 5.453 1.00 0.00 O ATOM 0 H GLY A 423 -1.860 -4.054 6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.157 -6.205 6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -2.545 -6.484 7.640 1.00 0.00 H new ATOM 124 N ASP A 424 -3.601 -5.991 4.699 1.00 0.00 N ATOM 125 CA ASP A 424 -4.320 -6.557 3.564 1.00 0.00 C ATOM 126 C ASP A 424 -3.450 -6.551 2.311 1.00 0.00 C ATOM 127 O ASP A 424 -2.390 -5.927 2.283 1.00 0.00 O ATOM 128 CB ASP A 424 -5.609 -5.775 3.308 1.00 0.00 C ATOM 129 CG ASP A 424 -6.636 -5.975 4.405 1.00 0.00 C ATOM 130 OD1 ASP A 424 -6.778 -7.120 4.883 1.00 0.00 O ATOM 131 OD2 ASP A 424 -7.296 -4.986 4.786 1.00 0.00 O ATOM 0 H ASP A 424 -3.657 -4.975 4.770 1.00 0.00 H new ATOM 0 HA ASP A 424 -4.572 -7.590 3.804 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -5.376 -4.714 3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -6.035 -6.086 2.354 1.00 0.00 H new ATOM 136 N ASN A 425 -3.904 -7.251 1.277 1.00 0.00 N ATOM 137 CA ASN A 425 -3.166 -7.328 0.022 1.00 0.00 C ATOM 138 C ASN A 425 -3.708 -6.323 -0.991 1.00 0.00 C ATOM 139 O ASN A 425 -4.901 -6.315 -1.295 1.00 0.00 O ATOM 140 CB ASN A 425 -3.244 -8.743 -0.555 1.00 0.00 C ATOM 141 CG ASN A 425 -2.297 -9.703 0.139 1.00 0.00 C ATOM 142 OD1 ASN A 425 -2.111 -9.639 1.354 1.00 0.00 O ATOM 143 ND2 ASN A 425 -1.694 -10.600 -0.633 1.00 0.00 N ATOM 0 H ASN A 425 -4.780 -7.773 1.283 1.00 0.00 H new ATOM 0 HA ASN A 425 -2.124 -7.084 0.228 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -4.265 -9.114 -0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -3.010 -8.712 -1.619 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -1.046 -11.273 -0.223 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -1.879 -10.616 -1.636 1.00 0.00 H new ATOM 150 N VAL A 426 -2.823 -5.478 -1.510 1.00 0.00 N ATOM 151 CA VAL A 426 -3.212 -4.470 -2.489 1.00 0.00 C ATOM 152 C VAL A 426 -2.169 -4.347 -3.594 1.00 0.00 C ATOM 153 O VAL A 426 -1.032 -4.792 -3.440 1.00 0.00 O ATOM 154 CB VAL A 426 -3.409 -3.093 -1.829 1.00 0.00 C ATOM 155 CG1 VAL A 426 -4.544 -3.143 -0.817 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.119 -2.627 -1.172 1.00 0.00 C ATOM 0 H VAL A 426 -1.832 -5.471 -1.269 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.158 -4.796 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.676 -2.374 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -4.668 -2.161 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.468 -3.429 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -4.310 -3.875 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -2.277 -1.652 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -1.819 -3.345 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.335 -2.549 -1.925 1.00 0.00 H new ATOM 166 N GLU A 427 -2.564 -3.740 -4.709 1.00 0.00 N ATOM 167 CA GLU A 427 -1.663 -3.558 -5.840 1.00 0.00 C ATOM 168 C GLU A 427 -1.869 -2.192 -6.487 1.00 0.00 C ATOM 169 O GLU A 427 -2.996 -1.798 -6.787 1.00 0.00 O ATOM 170 CB GLU A 427 -1.881 -4.663 -6.876 1.00 0.00 C ATOM 171 CG GLU A 427 -1.189 -4.398 -8.203 1.00 0.00 C ATOM 172 CD GLU A 427 -2.066 -3.634 -9.176 1.00 0.00 C ATOM 173 OE1 GLU A 427 -3.218 -3.315 -8.811 1.00 0.00 O ATOM 174 OE2 GLU A 427 -1.603 -3.355 -10.301 1.00 0.00 O ATOM 0 H GLU A 427 -3.502 -3.366 -4.853 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.640 -3.613 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -1.519 -5.607 -6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.951 -4.780 -7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -0.274 -3.834 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -0.896 -5.347 -8.652 1.00 0.00 H new ATOM 181 N VAL A 428 -0.772 -1.472 -6.697 1.00 0.00 N ATOM 182 CA VAL A 428 -0.830 -0.149 -7.308 1.00 0.00 C ATOM 183 C VAL A 428 -1.631 -0.178 -8.605 1.00 0.00 C ATOM 184 O VAL A 428 -1.560 -1.142 -9.369 1.00 0.00 O ATOM 185 CB VAL A 428 0.580 0.398 -7.600 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.495 1.740 -8.310 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.381 0.516 -6.312 1.00 0.00 C ATOM 0 H VAL A 428 0.168 -1.783 -6.453 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.325 0.508 -6.593 1.00 0.00 H new ATOM 0 HB VAL A 428 1.095 -0.302 -8.259 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.501 2.111 -8.508 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -0.040 1.620 -9.252 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.037 2.452 -7.679 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.375 0.904 -6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.872 1.195 -5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.471 -0.466 -5.848 1.00 0.00 H new ATOM 197 N CYS A 429 -2.391 0.884 -8.849 1.00 0.00 N ATOM 198 CA CYS A 429 -3.206 0.981 -10.055 1.00 0.00 C ATOM 199 C CYS A 429 -2.639 2.024 -11.012 1.00 0.00 C ATOM 200 O CYS A 429 -2.870 1.963 -12.219 1.00 0.00 O ATOM 201 CB CYS A 429 -4.649 1.333 -9.693 1.00 0.00 C ATOM 202 SG CYS A 429 -5.744 1.516 -11.120 1.00 0.00 S ATOM 0 H CYS A 429 -2.460 1.690 -8.228 1.00 0.00 H new ATOM 0 HA CYS A 429 -3.191 0.012 -10.553 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -5.048 0.557 -9.039 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -4.653 2.263 -9.124 1.00 0.00 H new ATOM 0 HG CYS A 429 -5.034 1.737 -12.186 1.00 0.00 H new ATOM 208 N GLU A 430 -1.898 2.982 -10.463 1.00 0.00 N ATOM 209 CA GLU A 430 -1.301 4.040 -11.269 1.00 0.00 C ATOM 210 C GLU A 430 0.012 4.517 -10.654 1.00 0.00 C ATOM 211 O GLU A 430 0.163 4.550 -9.434 1.00 0.00 O ATOM 212 CB GLU A 430 -2.270 5.217 -11.405 1.00 0.00 C ATOM 213 CG GLU A 430 -1.727 6.358 -12.249 1.00 0.00 C ATOM 214 CD GLU A 430 -1.393 5.929 -13.664 1.00 0.00 C ATOM 215 OE1 GLU A 430 -0.501 5.071 -13.829 1.00 0.00 O ATOM 216 OE2 GLU A 430 -2.024 6.450 -14.607 1.00 0.00 O ATOM 0 H GLU A 430 -1.697 3.047 -9.465 1.00 0.00 H new ATOM 0 HA GLU A 430 -1.093 3.634 -12.259 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -3.201 4.861 -11.846 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -2.512 5.594 -10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -2.462 7.163 -12.281 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -0.832 6.762 -11.775 1.00 0.00 H new ATOM 223 N GLY A 431 0.961 4.886 -11.510 1.00 0.00 N ATOM 224 CA GLY A 431 2.249 5.355 -11.034 1.00 0.00 C ATOM 225 C GLY A 431 3.374 4.396 -11.367 1.00 0.00 C ATOM 226 O GLY A 431 3.137 3.218 -11.630 1.00 0.00 O ATOM 0 H GLY A 431 0.860 4.868 -12.525 1.00 0.00 H new ATOM 0 HA2 GLY A 431 2.463 6.329 -11.475 1.00 0.00 H new ATOM 0 HA3 GLY A 431 2.204 5.497 -9.954 1.00 0.00 H new ATOM 230 N GLU A 432 4.603 4.903 -11.359 1.00 0.00 N ATOM 231 CA GLU A 432 5.769 4.083 -11.666 1.00 0.00 C ATOM 232 C GLU A 432 5.778 2.812 -10.822 1.00 0.00 C ATOM 233 O GLU A 432 6.414 1.820 -11.180 1.00 0.00 O ATOM 234 CB GLU A 432 7.056 4.876 -11.425 1.00 0.00 C ATOM 235 CG GLU A 432 7.447 5.770 -12.590 1.00 0.00 C ATOM 236 CD GLU A 432 8.233 5.030 -13.655 1.00 0.00 C ATOM 237 OE1 GLU A 432 8.946 4.068 -13.303 1.00 0.00 O ATOM 238 OE2 GLU A 432 8.135 5.414 -14.839 1.00 0.00 O ATOM 0 H GLU A 432 4.817 5.877 -11.143 1.00 0.00 H new ATOM 0 HA GLU A 432 5.715 3.801 -12.717 1.00 0.00 H new ATOM 0 HB2 GLU A 432 6.933 5.489 -10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 432 7.870 4.179 -11.223 1.00 0.00 H new ATOM 0 HG2 GLU A 432 6.547 6.193 -13.036 1.00 0.00 H new ATOM 0 HG3 GLU A 432 8.042 6.605 -12.219 1.00 0.00 H new ATOM 245 N LEU A 433 5.067 2.848 -9.701 1.00 0.00 N ATOM 246 CA LEU A 433 4.991 1.700 -8.805 1.00 0.00 C ATOM 247 C LEU A 433 3.892 0.738 -9.244 1.00 0.00 C ATOM 248 O LEU A 433 3.417 -0.079 -8.454 1.00 0.00 O ATOM 249 CB LEU A 433 4.736 2.164 -7.370 1.00 0.00 C ATOM 250 CG LEU A 433 5.842 3.003 -6.728 1.00 0.00 C ATOM 251 CD1 LEU A 433 5.298 3.785 -5.543 1.00 0.00 C ATOM 252 CD2 LEU A 433 7.002 2.117 -6.298 1.00 0.00 C ATOM 0 H LEU A 433 4.534 3.661 -9.391 1.00 0.00 H new ATOM 0 HA LEU A 433 5.945 1.175 -8.846 1.00 0.00 H new ATOM 0 HB2 LEU A 433 3.813 2.744 -7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 433 4.569 1.284 -6.749 1.00 0.00 H new ATOM 0 HG LEU A 433 6.209 3.714 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 433 6.099 4.376 -5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 433 4.501 4.448 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 433 4.903 3.092 -4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 433 7.780 2.731 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 433 6.650 1.382 -5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.409 1.602 -7.168 1.00 0.00 H new ATOM 264 N ILE A 434 3.494 0.839 -10.507 1.00 0.00 N ATOM 265 CA ILE A 434 2.454 -0.024 -11.052 1.00 0.00 C ATOM 266 C ILE A 434 2.852 -1.493 -10.956 1.00 0.00 C ATOM 267 O ILE A 434 4.016 -1.817 -10.725 1.00 0.00 O ATOM 268 CB ILE A 434 2.150 0.318 -12.522 1.00 0.00 C ATOM 269 CG1 ILE A 434 0.903 -0.431 -12.996 1.00 0.00 C ATOM 270 CG2 ILE A 434 3.344 -0.020 -13.402 1.00 0.00 C ATOM 271 CD1 ILE A 434 0.350 0.085 -14.306 1.00 0.00 C ATOM 0 H ILE A 434 3.876 1.511 -11.173 1.00 0.00 H new ATOM 0 HA ILE A 434 1.558 0.148 -10.455 1.00 0.00 H new ATOM 0 HB ILE A 434 1.958 1.388 -12.598 1.00 0.00 H new ATOM 0 HG12 ILE A 434 1.143 -1.489 -13.104 1.00 0.00 H new ATOM 0 HG13 ILE A 434 0.131 -0.356 -12.230 1.00 0.00 H new ATOM 0 HG21 ILE A 434 3.114 0.227 -14.438 1.00 0.00 H new ATOM 0 HG22 ILE A 434 4.211 0.555 -13.076 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.564 -1.085 -13.323 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -0.533 -0.492 -14.581 1.00 0.00 H new ATOM 0 HD12 ILE A 434 0.078 1.135 -14.198 1.00 0.00 H new ATOM 0 HD13 ILE A 434 1.106 -0.015 -15.085 1.00 0.00 H new ATOM 283 N ASN A 435 1.877 -2.378 -11.136 1.00 0.00 N ATOM 284 CA ASN A 435 2.126 -3.813 -11.071 1.00 0.00 C ATOM 285 C ASN A 435 2.991 -4.161 -9.864 1.00 0.00 C ATOM 286 O ASN A 435 3.831 -5.060 -9.926 1.00 0.00 O ATOM 287 CB ASN A 435 2.806 -4.293 -12.355 1.00 0.00 C ATOM 288 CG ASN A 435 4.186 -3.691 -12.538 1.00 0.00 C ATOM 289 OD1 ASN A 435 4.391 -3.010 -13.659 1.00 0.00 O flip ATOM 290 ND2 ASN A 435 5.058 -3.837 -11.681 1.00 0.00 N flip ATOM 0 H ASN A 435 0.907 -2.126 -11.328 1.00 0.00 H new ATOM 0 HA ASN A 435 1.166 -4.318 -10.966 1.00 0.00 H new ATOM 0 HB2 ASN A 435 2.886 -5.380 -12.336 1.00 0.00 H new ATOM 0 HB3 ASN A 435 2.183 -4.034 -13.211 1.00 0.00 H new ATOM 0 HD21 ASN A 435 4.857 -4.368 -10.834 1.00 0.00 H new ATOM 0 HD22 ASN A 435 5.982 -3.426 -11.818 1.00 0.00 H new ATOM 297 N LEU A 436 2.781 -3.444 -8.766 1.00 0.00 N ATOM 298 CA LEU A 436 3.541 -3.676 -7.542 1.00 0.00 C ATOM 299 C LEU A 436 2.625 -4.131 -6.410 1.00 0.00 C ATOM 300 O LEU A 436 1.833 -3.346 -5.888 1.00 0.00 O ATOM 301 CB LEU A 436 4.286 -2.405 -7.132 1.00 0.00 C ATOM 302 CG LEU A 436 5.268 -2.549 -5.969 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.344 -3.571 -6.301 1.00 0.00 C ATOM 304 CD2 LEU A 436 5.894 -1.204 -5.631 1.00 0.00 C ATOM 0 H LEU A 436 2.090 -2.696 -8.698 1.00 0.00 H new ATOM 0 HA LEU A 436 4.265 -4.467 -7.738 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.832 -2.032 -7.999 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.550 -1.645 -6.868 1.00 0.00 H new ATOM 0 HG LEU A 436 4.718 -2.902 -5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 436 7.033 -3.659 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 436 5.880 -4.538 -6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 436 6.891 -3.249 -7.187 1.00 0.00 H new ATOM 0 HD21 LEU A 436 6.590 -1.325 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 436 6.429 -0.823 -6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 436 5.112 -0.499 -5.349 1.00 0.00 H new ATOM 316 N GLN A 437 2.740 -5.401 -6.036 1.00 0.00 N ATOM 317 CA GLN A 437 1.923 -5.958 -4.965 1.00 0.00 C ATOM 318 C GLN A 437 2.626 -5.824 -3.618 1.00 0.00 C ATOM 319 O GLN A 437 3.852 -5.889 -3.537 1.00 0.00 O ATOM 320 CB GLN A 437 1.610 -7.429 -5.246 1.00 0.00 C ATOM 321 CG GLN A 437 2.832 -8.248 -5.629 1.00 0.00 C ATOM 322 CD GLN A 437 2.524 -9.726 -5.764 1.00 0.00 C ATOM 323 OE1 GLN A 437 1.415 -10.110 -6.135 1.00 0.00 O ATOM 324 NE2 GLN A 437 3.508 -10.566 -5.461 1.00 0.00 N ATOM 0 H GLN A 437 3.391 -6.063 -6.459 1.00 0.00 H new ATOM 0 HA GLN A 437 0.990 -5.396 -4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 437 1.150 -7.870 -4.361 1.00 0.00 H new ATOM 0 HB3 GLN A 437 0.876 -7.489 -6.050 1.00 0.00 H new ATOM 0 HG2 GLN A 437 3.233 -7.877 -6.572 1.00 0.00 H new ATOM 0 HG3 GLN A 437 3.608 -8.110 -4.876 1.00 0.00 H new ATOM 0 HE21 GLN A 437 4.412 -10.204 -5.157 1.00 0.00 H new ATOM 0 HE22 GLN A 437 3.359 -11.573 -5.532 1.00 0.00 H new ATOM 333 N GLY A 438 1.840 -5.634 -2.562 1.00 0.00 N ATOM 334 CA GLY A 438 2.405 -5.493 -1.233 1.00 0.00 C ATOM 335 C GLY A 438 1.356 -5.593 -0.143 1.00 0.00 C ATOM 336 O GLY A 438 0.161 -5.671 -0.427 1.00 0.00 O ATOM 0 H GLY A 438 0.823 -5.575 -2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 438 3.159 -6.264 -1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.912 -4.531 -1.157 1.00 0.00 H new ATOM 340 N LYS A 439 1.803 -5.592 1.108 1.00 0.00 N ATOM 341 CA LYS A 439 0.895 -5.683 2.246 1.00 0.00 C ATOM 342 C LYS A 439 0.797 -4.345 2.971 1.00 0.00 C ATOM 343 O LYS A 439 1.798 -3.650 3.149 1.00 0.00 O ATOM 344 CB LYS A 439 1.368 -6.768 3.216 1.00 0.00 C ATOM 345 CG LYS A 439 0.236 -7.442 3.972 1.00 0.00 C ATOM 346 CD LYS A 439 0.727 -8.069 5.266 1.00 0.00 C ATOM 347 CE LYS A 439 -0.096 -9.293 5.639 1.00 0.00 C ATOM 348 NZ LYS A 439 0.652 -10.210 6.543 1.00 0.00 N ATOM 0 H LYS A 439 2.789 -5.529 1.360 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.094 -5.946 1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 439 1.923 -7.524 2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 439 2.060 -6.326 3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -0.542 -6.711 4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 439 -0.217 -8.209 3.344 1.00 0.00 H new ATOM 0 HD2 LYS A 439 1.774 -8.352 5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 439 0.675 -7.335 6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 439 -1.018 -8.976 6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 439 -0.381 -9.829 4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 0.057 -11.031 6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 1.520 -10.533 6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 0.902 -9.707 7.418 1.00 0.00 H new ATOM 362 N ILE A 440 -0.414 -3.991 3.389 1.00 0.00 N ATOM 363 CA ILE A 440 -0.641 -2.738 4.098 1.00 0.00 C ATOM 364 C ILE A 440 -0.141 -2.821 5.536 1.00 0.00 C ATOM 365 O ILE A 440 -0.140 -3.893 6.144 1.00 0.00 O ATOM 366 CB ILE A 440 -2.134 -2.359 4.107 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.705 -2.413 2.688 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.325 -0.975 4.708 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.216 -2.465 2.646 1.00 0.00 C ATOM 0 H ILE A 440 -1.253 -4.554 3.249 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.082 -1.969 3.565 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.673 -3.079 4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.364 -1.538 2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.305 -3.289 2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.385 -0.721 4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -1.951 -0.968 5.732 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -1.776 -0.242 4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.550 -2.502 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.564 -3.354 3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.624 -1.576 3.128 1.00 0.00 H new ATOM 381 N LEU A 441 0.283 -1.684 6.076 1.00 0.00 N ATOM 382 CA LEU A 441 0.784 -1.627 7.445 1.00 0.00 C ATOM 383 C LEU A 441 -0.140 -0.795 8.329 1.00 0.00 C ATOM 384 O LEU A 441 -0.471 -1.194 9.446 1.00 0.00 O ATOM 385 CB LEU A 441 2.196 -1.038 7.467 1.00 0.00 C ATOM 386 CG LEU A 441 3.342 -2.037 7.304 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.561 -1.356 6.701 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.691 -2.671 8.643 1.00 0.00 C ATOM 0 H LEU A 441 0.290 -0.789 5.587 1.00 0.00 H new ATOM 0 HA LEU A 441 0.814 -2.643 7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.271 -0.296 6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.333 -0.509 8.410 1.00 0.00 H new ATOM 0 HG LEU A 441 3.018 -2.825 6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.367 -2.082 6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.304 -0.950 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 441 4.887 -0.548 7.355 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.508 -3.379 8.508 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.996 -1.895 9.345 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.819 -3.194 9.036 1.00 0.00 H new ATOM 400 N SER A 442 -0.555 0.360 7.820 1.00 0.00 N ATOM 401 CA SER A 442 -1.441 1.249 8.565 1.00 0.00 C ATOM 402 C SER A 442 -2.272 2.107 7.616 1.00 0.00 C ATOM 403 O SER A 442 -1.967 2.213 6.427 1.00 0.00 O ATOM 404 CB SER A 442 -0.629 2.144 9.502 1.00 0.00 C ATOM 405 OG SER A 442 -0.354 1.485 10.726 1.00 0.00 O ATOM 0 H SER A 442 -0.293 0.703 6.896 1.00 0.00 H new ATOM 0 HA SER A 442 -2.118 0.634 9.158 1.00 0.00 H new ATOM 0 HB2 SER A 442 0.307 2.427 9.020 1.00 0.00 H new ATOM 0 HB3 SER A 442 -1.178 3.065 9.697 1.00 0.00 H new ATOM 0 HG SER A 442 -0.320 0.517 10.576 1.00 0.00 H new ATOM 411 N VAL A 443 -3.324 2.719 8.150 1.00 0.00 N ATOM 412 CA VAL A 443 -4.199 3.570 7.352 1.00 0.00 C ATOM 413 C VAL A 443 -4.314 4.963 7.959 1.00 0.00 C ATOM 414 O VAL A 443 -4.782 5.124 9.087 1.00 0.00 O ATOM 415 CB VAL A 443 -5.608 2.961 7.223 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.552 3.938 6.539 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.551 1.642 6.466 1.00 0.00 C ATOM 0 H VAL A 443 -3.591 2.642 9.131 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.751 3.644 6.361 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.992 2.763 8.224 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.542 3.490 6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.616 4.854 7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -6.175 4.171 5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.555 1.226 6.384 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.146 1.812 5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.911 0.942 7.003 1.00 0.00 H new ATOM 427 N ASP A 444 -3.884 5.969 7.205 1.00 0.00 N ATOM 428 CA ASP A 444 -3.940 7.350 7.668 1.00 0.00 C ATOM 429 C ASP A 444 -4.830 8.192 6.759 1.00 0.00 C ATOM 430 O ASP A 444 -4.367 8.751 5.765 1.00 0.00 O ATOM 431 CB ASP A 444 -2.533 7.949 7.722 1.00 0.00 C ATOM 432 CG ASP A 444 -1.571 7.094 8.522 1.00 0.00 C ATOM 433 OD1 ASP A 444 -1.610 7.164 9.769 1.00 0.00 O ATOM 434 OD2 ASP A 444 -0.779 6.354 7.902 1.00 0.00 O ATOM 0 H ASP A 444 -3.493 5.853 6.270 1.00 0.00 H new ATOM 0 HA ASP A 444 -4.368 7.355 8.671 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -2.152 8.067 6.708 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -2.582 8.945 8.162 1.00 0.00 H new ATOM 439 N GLY A 445 -6.110 8.278 7.107 1.00 0.00 N ATOM 440 CA GLY A 445 -7.045 9.053 6.312 1.00 0.00 C ATOM 441 C GLY A 445 -6.857 8.837 4.823 1.00 0.00 C ATOM 442 O GLY A 445 -7.212 7.785 4.292 1.00 0.00 O ATOM 0 H GLY A 445 -6.516 7.825 7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -8.064 8.783 6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.922 10.112 6.541 1.00 0.00 H new ATOM 446 N ASN A 446 -6.299 9.836 4.147 1.00 0.00 N ATOM 447 CA ASN A 446 -6.068 9.751 2.710 1.00 0.00 C ATOM 448 C ASN A 446 -4.764 9.018 2.411 1.00 0.00 C ATOM 449 O ASN A 446 -4.652 8.307 1.412 1.00 0.00 O ATOM 450 CB ASN A 446 -6.030 11.152 2.095 1.00 0.00 C ATOM 451 CG ASN A 446 -5.325 12.156 2.986 1.00 0.00 C ATOM 452 OD1 ASN A 446 -4.309 11.844 3.608 1.00 0.00 O ATOM 453 ND2 ASN A 446 -5.862 13.369 3.051 1.00 0.00 N ATOM 0 H ASN A 446 -5.999 10.714 4.571 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.890 9.189 2.268 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -5.524 11.109 1.130 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -7.049 11.491 1.906 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -5.431 14.087 3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -6.705 13.583 2.518 1.00 0.00 H new ATOM 460 N LYS A 447 -3.778 9.194 3.285 1.00 0.00 N ATOM 461 CA LYS A 447 -2.482 8.549 3.118 1.00 0.00 C ATOM 462 C LYS A 447 -2.483 7.156 3.741 1.00 0.00 C ATOM 463 O LYS A 447 -3.001 6.959 4.841 1.00 0.00 O ATOM 464 CB LYS A 447 -1.379 9.401 3.751 1.00 0.00 C ATOM 465 CG LYS A 447 -1.168 10.735 3.057 1.00 0.00 C ATOM 466 CD LYS A 447 -0.544 11.758 3.991 1.00 0.00 C ATOM 467 CE LYS A 447 -1.602 12.503 4.789 1.00 0.00 C ATOM 468 NZ LYS A 447 -1.009 13.259 5.927 1.00 0.00 N ATOM 0 H LYS A 447 -3.853 9.779 4.117 1.00 0.00 H new ATOM 0 HA LYS A 447 -2.289 8.451 2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.625 9.580 4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.444 8.841 3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -0.526 10.596 2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -2.123 11.111 2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 447 0.143 11.258 4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 447 0.044 12.470 3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -2.133 13.192 4.133 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -2.337 11.793 5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -1.763 13.753 6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -0.524 12.599 6.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -0.326 13.954 5.564 1.00 0.00 H new ATOM 482 N ILE A 448 -1.899 6.196 3.033 1.00 0.00 N ATOM 483 CA ILE A 448 -1.831 4.823 3.518 1.00 0.00 C ATOM 484 C ILE A 448 -0.401 4.296 3.478 1.00 0.00 C ATOM 485 O ILE A 448 0.148 4.038 2.407 1.00 0.00 O ATOM 486 CB ILE A 448 -2.734 3.888 2.692 1.00 0.00 C ATOM 487 CG1 ILE A 448 -4.123 4.507 2.518 1.00 0.00 C ATOM 488 CG2 ILE A 448 -2.835 2.524 3.358 1.00 0.00 C ATOM 489 CD1 ILE A 448 -5.062 4.214 3.667 1.00 0.00 C ATOM 0 H ILE A 448 -1.466 6.343 2.121 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.182 4.836 4.550 1.00 0.00 H new ATOM 0 HB ILE A 448 -2.290 3.756 1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -4.020 5.587 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.565 4.135 1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.477 1.875 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -1.842 2.082 3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.259 2.637 4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -6.027 4.683 3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -5.195 3.136 3.763 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.641 4.611 4.591 1.00 0.00 H new ATOM 501 N THR A 449 0.198 4.136 4.654 1.00 0.00 N ATOM 502 CA THR A 449 1.564 3.639 4.755 1.00 0.00 C ATOM 503 C THR A 449 1.607 2.120 4.636 1.00 0.00 C ATOM 504 O THR A 449 1.003 1.408 5.439 1.00 0.00 O ATOM 505 CB THR A 449 2.218 4.057 6.086 1.00 0.00 C ATOM 506 OG1 THR A 449 1.871 5.411 6.398 1.00 0.00 O ATOM 507 CG2 THR A 449 3.731 3.920 6.012 1.00 0.00 C ATOM 0 H THR A 449 -0.242 4.344 5.550 1.00 0.00 H new ATOM 0 HA THR A 449 2.122 4.081 3.930 1.00 0.00 H new ATOM 0 HB THR A 449 1.848 3.397 6.871 1.00 0.00 H new ATOM 0 HG1 THR A 449 1.571 5.868 5.584 1.00 0.00 H new ATOM 0 HG21 THR A 449 4.171 4.221 6.963 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.993 2.883 5.803 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.116 4.558 5.217 1.00 0.00 H new ATOM 515 N ILE A 450 2.324 1.630 3.631 1.00 0.00 N ATOM 516 CA ILE A 450 2.446 0.194 3.409 1.00 0.00 C ATOM 517 C ILE A 450 3.881 -0.188 3.061 1.00 0.00 C ATOM 518 O ILE A 450 4.758 0.670 2.973 1.00 0.00 O ATOM 519 CB ILE A 450 1.512 -0.283 2.282 1.00 0.00 C ATOM 520 CG1 ILE A 450 2.006 0.231 0.928 1.00 0.00 C ATOM 521 CG2 ILE A 450 0.087 0.182 2.543 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.435 -0.525 -0.251 1.00 0.00 C ATOM 0 H ILE A 450 2.829 2.206 2.957 1.00 0.00 H new ATOM 0 HA ILE A 450 2.158 -0.295 4.340 1.00 0.00 H new ATOM 0 HB ILE A 450 1.520 -1.373 2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.747 1.286 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.094 0.166 0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.562 -0.163 1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.262 -0.228 3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 450 0.062 1.271 2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.829 -0.106 -1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.716 -1.576 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.348 -0.439 -0.247 1.00 0.00 H new ATOM 534 N MET A 451 4.111 -1.482 2.863 1.00 0.00 N ATOM 535 CA MET A 451 5.439 -1.978 2.522 1.00 0.00 C ATOM 536 C MET A 451 5.366 -2.984 1.377 1.00 0.00 C ATOM 537 O MET A 451 4.756 -4.048 1.492 1.00 0.00 O ATOM 538 CB MET A 451 6.095 -2.624 3.743 1.00 0.00 C ATOM 539 CG MET A 451 7.389 -3.355 3.422 1.00 0.00 C ATOM 540 SD MET A 451 8.833 -2.278 3.501 1.00 0.00 S ATOM 541 CE MET A 451 9.618 -2.650 1.935 1.00 0.00 C ATOM 0 H MET A 451 3.395 -2.205 2.933 1.00 0.00 H new ATOM 0 HA MET A 451 6.044 -1.131 2.200 1.00 0.00 H new ATOM 0 HB2 MET A 451 6.297 -1.853 4.487 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.393 -3.326 4.194 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.518 -4.181 4.121 1.00 0.00 H new ATOM 0 HG3 MET A 451 7.319 -3.789 2.425 1.00 0.00 H new ATOM 0 HE1 MET A 451 10.701 -2.612 2.053 1.00 0.00 H new ATOM 0 HE2 MET A 451 9.323 -3.647 1.608 1.00 0.00 H new ATOM 0 HE3 MET A 451 9.308 -1.918 1.190 1.00 0.00 H new ATOM 551 N PRO A 452 6.001 -2.643 0.246 1.00 0.00 N ATOM 552 CA PRO A 452 6.022 -3.503 -0.940 1.00 0.00 C ATOM 553 C PRO A 452 6.862 -4.758 -0.732 1.00 0.00 C ATOM 554 O PRO A 452 7.873 -4.731 -0.029 1.00 0.00 O ATOM 555 CB PRO A 452 6.650 -2.611 -2.014 1.00 0.00 C ATOM 556 CG PRO A 452 7.474 -1.628 -1.256 1.00 0.00 C ATOM 557 CD PRO A 452 6.747 -1.390 0.039 1.00 0.00 C ATOM 0 HA PRO A 452 5.027 -3.867 -1.197 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.262 -3.193 -2.703 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.886 -2.111 -2.610 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.476 -2.016 -1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.588 -0.700 -1.816 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.439 -1.194 0.858 1.00 0.00 H new ATOM 0 HD3 PRO A 452 6.079 -0.531 -0.027 1.00 0.00 H new ATOM 565 N LYS A 453 6.439 -5.857 -1.346 1.00 0.00 N ATOM 566 CA LYS A 453 7.154 -7.123 -1.230 1.00 0.00 C ATOM 567 C LYS A 453 8.153 -7.290 -2.370 1.00 0.00 C ATOM 568 O LYS A 453 7.884 -7.990 -3.347 1.00 0.00 O ATOM 569 CB LYS A 453 6.165 -8.292 -1.228 1.00 0.00 C ATOM 570 CG LYS A 453 5.304 -8.358 0.021 1.00 0.00 C ATOM 571 CD LYS A 453 5.998 -9.120 1.137 1.00 0.00 C ATOM 572 CE LYS A 453 5.791 -10.620 1.000 1.00 0.00 C ATOM 573 NZ LYS A 453 6.828 -11.247 0.135 1.00 0.00 N ATOM 0 H LYS A 453 5.604 -5.897 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 453 7.703 -7.117 -0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.518 -8.211 -2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 453 6.719 -9.226 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.073 -7.348 0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.355 -8.840 -0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 453 7.065 -8.896 1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 453 5.614 -8.785 2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 453 5.814 -11.081 1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 453 4.803 -10.813 0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 7.150 -12.136 0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 6.425 -11.444 -0.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 7.635 -10.599 0.035 1.00 0.00 H new ATOM 587 N HIS A 454 9.308 -6.645 -2.238 1.00 0.00 N ATOM 588 CA HIS A 454 10.348 -6.724 -3.257 1.00 0.00 C ATOM 589 C HIS A 454 11.731 -6.542 -2.637 1.00 0.00 C ATOM 590 O HIS A 454 11.993 -5.543 -1.967 1.00 0.00 O ATOM 591 CB HIS A 454 10.117 -5.666 -4.336 1.00 0.00 C ATOM 592 CG HIS A 454 10.723 -6.018 -5.660 1.00 0.00 C ATOM 593 ND1 HIS A 454 12.064 -6.296 -5.824 1.00 0.00 N ATOM 594 CD2 HIS A 454 10.163 -6.139 -6.886 1.00 0.00 C ATOM 595 CE1 HIS A 454 12.302 -6.570 -7.094 1.00 0.00 C ATOM 596 NE2 HIS A 454 11.165 -6.483 -7.760 1.00 0.00 N ATOM 0 H HIS A 454 9.547 -6.062 -1.436 1.00 0.00 H new ATOM 0 HA HIS A 454 10.300 -7.713 -3.713 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.045 -5.518 -4.464 1.00 0.00 H new ATOM 0 HB3 HIS A 454 10.531 -4.717 -3.997 1.00 0.00 H new ATOM 0 HD2 HIS A 454 9.122 -5.992 -7.132 1.00 0.00 H new ATOM 0 HE1 HIS A 454 13.263 -6.822 -7.516 1.00 0.00 H new ATOM 0 HE2 HIS A 454 11.050 -6.645 -8.760 1.00 0.00 H new ATOM 604 N GLU A 455 12.609 -7.514 -2.864 1.00 0.00 N ATOM 605 CA GLU A 455 13.963 -7.460 -2.326 1.00 0.00 C ATOM 606 C GLU A 455 14.611 -6.110 -2.618 1.00 0.00 C ATOM 607 O GLU A 455 15.350 -5.572 -1.792 1.00 0.00 O ATOM 608 CB GLU A 455 14.815 -8.585 -2.916 1.00 0.00 C ATOM 609 CG GLU A 455 16.261 -8.564 -2.448 1.00 0.00 C ATOM 610 CD GLU A 455 17.038 -9.785 -2.899 1.00 0.00 C ATOM 611 OE1 GLU A 455 16.732 -10.895 -2.415 1.00 0.00 O ATOM 612 OE2 GLU A 455 17.953 -9.631 -3.735 1.00 0.00 O ATOM 0 H GLU A 455 12.407 -8.347 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 455 13.902 -7.588 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 455 14.370 -9.544 -2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 455 14.793 -8.514 -4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 455 16.749 -7.667 -2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 455 16.286 -8.504 -1.360 1.00 0.00 H new ATOM 619 N ASP A 456 14.330 -5.568 -3.798 1.00 0.00 N ATOM 620 CA ASP A 456 14.885 -4.281 -4.200 1.00 0.00 C ATOM 621 C ASP A 456 14.501 -3.189 -3.206 1.00 0.00 C ATOM 622 O ASP A 456 15.364 -2.568 -2.585 1.00 0.00 O ATOM 623 CB ASP A 456 14.397 -3.906 -5.601 1.00 0.00 C ATOM 624 CG ASP A 456 15.190 -2.763 -6.203 1.00 0.00 C ATOM 625 OD1 ASP A 456 15.783 -1.980 -5.431 1.00 0.00 O ATOM 626 OD2 ASP A 456 15.218 -2.651 -7.446 1.00 0.00 O ATOM 0 H ASP A 456 13.721 -6.000 -4.493 1.00 0.00 H new ATOM 0 HA ASP A 456 15.971 -4.370 -4.213 1.00 0.00 H new ATOM 0 HB2 ASP A 456 14.468 -4.777 -6.253 1.00 0.00 H new ATOM 0 HB3 ASP A 456 13.344 -3.629 -5.554 1.00 0.00 H new ATOM 631 N LEU A 457 13.200 -2.960 -3.060 1.00 0.00 N ATOM 632 CA LEU A 457 12.701 -1.942 -2.142 1.00 0.00 C ATOM 633 C LEU A 457 12.702 -2.457 -0.706 1.00 0.00 C ATOM 634 O LEU A 457 11.745 -3.091 -0.261 1.00 0.00 O ATOM 635 CB LEU A 457 11.288 -1.515 -2.542 1.00 0.00 C ATOM 636 CG LEU A 457 11.169 -0.722 -3.844 1.00 0.00 C ATOM 637 CD1 LEU A 457 9.742 -0.764 -4.366 1.00 0.00 C ATOM 638 CD2 LEU A 457 11.621 0.716 -3.635 1.00 0.00 C ATOM 0 H LEU A 457 12.472 -3.465 -3.565 1.00 0.00 H new ATOM 0 HA LEU A 457 13.364 -1.079 -2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 457 10.670 -2.409 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 457 10.870 -0.914 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 457 11.819 -1.182 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 457 9.677 -0.194 -5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 457 9.454 -1.798 -4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 457 9.071 -0.330 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 457 11.530 1.266 -4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 457 10.997 1.187 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 457 12.661 0.727 -3.308 1.00 0.00 H new ATOM 650 N LYS A 458 13.782 -2.178 0.016 1.00 0.00 N ATOM 651 CA LYS A 458 13.907 -2.609 1.404 1.00 0.00 C ATOM 652 C LYS A 458 13.129 -1.683 2.333 1.00 0.00 C ATOM 653 O LYS A 458 12.508 -2.134 3.296 1.00 0.00 O ATOM 654 CB LYS A 458 15.380 -2.643 1.817 1.00 0.00 C ATOM 655 CG LYS A 458 15.659 -3.554 3.000 1.00 0.00 C ATOM 656 CD LYS A 458 15.504 -2.817 4.320 1.00 0.00 C ATOM 657 CE LYS A 458 16.183 -3.564 5.458 1.00 0.00 C ATOM 658 NZ LYS A 458 16.285 -2.728 6.687 1.00 0.00 N ATOM 0 H LYS A 458 14.584 -1.655 -0.337 1.00 0.00 H new ATOM 0 HA LYS A 458 13.489 -3.612 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 458 15.979 -2.971 0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 458 15.703 -1.632 2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 458 14.977 -4.404 2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 458 16.670 -3.954 2.922 1.00 0.00 H new ATOM 0 HD2 LYS A 458 15.931 -1.818 4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 458 14.445 -2.692 4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 458 15.623 -4.472 5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 458 17.180 -3.874 5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 16.753 -3.272 7.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 16.841 -1.874 6.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 15.332 -2.454 7.000 1.00 0.00 H new ATOM 672 N ASP A 459 13.165 -0.389 2.038 1.00 0.00 N ATOM 673 CA ASP A 459 12.461 0.600 2.846 1.00 0.00 C ATOM 674 C ASP A 459 10.963 0.567 2.561 1.00 0.00 C ATOM 675 O ASP A 459 10.531 0.091 1.512 1.00 0.00 O ATOM 676 CB ASP A 459 13.013 2.000 2.574 1.00 0.00 C ATOM 677 CG ASP A 459 14.186 2.344 3.471 1.00 0.00 C ATOM 678 OD1 ASP A 459 15.240 1.685 3.348 1.00 0.00 O ATOM 679 OD2 ASP A 459 14.051 3.271 4.296 1.00 0.00 O ATOM 0 H ASP A 459 13.674 0.000 1.245 1.00 0.00 H new ATOM 0 HA ASP A 459 12.619 0.354 3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 459 13.324 2.069 1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 459 12.221 2.734 2.719 1.00 0.00 H new ATOM 684 N MET A 460 10.175 1.074 3.504 1.00 0.00 N ATOM 685 CA MET A 460 8.725 1.103 3.354 1.00 0.00 C ATOM 686 C MET A 460 8.282 2.340 2.580 1.00 0.00 C ATOM 687 O MET A 460 9.047 3.293 2.423 1.00 0.00 O ATOM 688 CB MET A 460 8.048 1.076 4.726 1.00 0.00 C ATOM 689 CG MET A 460 8.262 2.345 5.534 1.00 0.00 C ATOM 690 SD MET A 460 9.737 2.269 6.569 1.00 0.00 S ATOM 691 CE MET A 460 9.199 1.127 7.840 1.00 0.00 C ATOM 0 H MET A 460 10.516 1.470 4.380 1.00 0.00 H new ATOM 0 HA MET A 460 8.426 0.219 2.792 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.978 0.917 4.591 1.00 0.00 H new ATOM 0 HB3 MET A 460 8.428 0.226 5.293 1.00 0.00 H new ATOM 0 HG2 MET A 460 8.343 3.194 4.855 1.00 0.00 H new ATOM 0 HG3 MET A 460 7.390 2.522 6.163 1.00 0.00 H new ATOM 0 HE1 MET A 460 9.829 1.241 8.722 1.00 0.00 H new ATOM 0 HE2 MET A 460 8.163 1.339 8.104 1.00 0.00 H new ATOM 0 HE3 MET A 460 9.277 0.105 7.468 1.00 0.00 H new ATOM 701 N LEU A 461 7.045 2.320 2.098 1.00 0.00 N ATOM 702 CA LEU A 461 6.500 3.441 1.339 1.00 0.00 C ATOM 703 C LEU A 461 5.082 3.768 1.794 1.00 0.00 C ATOM 704 O LEU A 461 4.475 3.016 2.556 1.00 0.00 O ATOM 705 CB LEU A 461 6.508 3.122 -0.157 1.00 0.00 C ATOM 706 CG LEU A 461 7.882 2.884 -0.785 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.400 1.500 -0.426 1.00 0.00 C ATOM 708 CD2 LEU A 461 7.813 3.054 -2.296 1.00 0.00 C ATOM 0 H LEU A 461 6.399 1.540 2.219 1.00 0.00 H new ATOM 0 HA LEU A 461 7.130 4.312 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.897 2.235 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 461 6.026 3.944 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 461 8.576 3.624 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.379 1.348 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.487 1.414 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.707 0.745 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 461 8.799 2.881 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 461 7.105 2.337 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.485 4.066 -2.534 1.00 0.00 H new ATOM 720 N GLU A 462 4.558 4.894 1.319 1.00 0.00 N ATOM 721 CA GLU A 462 3.210 5.319 1.676 1.00 0.00 C ATOM 722 C GLU A 462 2.463 5.844 0.453 1.00 0.00 C ATOM 723 O GLU A 462 2.912 6.781 -0.208 1.00 0.00 O ATOM 724 CB GLU A 462 3.262 6.400 2.758 1.00 0.00 C ATOM 725 CG GLU A 462 2.035 7.295 2.783 1.00 0.00 C ATOM 726 CD GLU A 462 1.807 7.935 4.139 1.00 0.00 C ATOM 727 OE1 GLU A 462 2.537 8.892 4.473 1.00 0.00 O ATOM 728 OE2 GLU A 462 0.900 7.479 4.866 1.00 0.00 O ATOM 0 H GLU A 462 5.047 5.528 0.686 1.00 0.00 H new ATOM 0 HA GLU A 462 2.674 4.452 2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 462 3.373 5.923 3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 462 4.148 7.016 2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 462 2.144 8.076 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 462 1.157 6.710 2.510 1.00 0.00 H new ATOM 735 N PHE A 463 1.321 5.233 0.157 1.00 0.00 N ATOM 736 CA PHE A 463 0.512 5.637 -0.987 1.00 0.00 C ATOM 737 C PHE A 463 -0.936 5.882 -0.570 1.00 0.00 C ATOM 738 O PHE A 463 -1.440 5.296 0.388 1.00 0.00 O ATOM 739 CB PHE A 463 0.565 4.566 -2.079 1.00 0.00 C ATOM 740 CG PHE A 463 1.917 3.930 -2.230 1.00 0.00 C ATOM 741 CD1 PHE A 463 3.004 4.676 -2.656 1.00 0.00 C ATOM 742 CD2 PHE A 463 2.101 2.587 -1.945 1.00 0.00 C ATOM 743 CE1 PHE A 463 4.250 4.094 -2.796 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.345 2.000 -2.083 1.00 0.00 C ATOM 745 CZ PHE A 463 4.420 2.754 -2.509 1.00 0.00 C ATOM 0 H PHE A 463 0.935 4.456 0.693 1.00 0.00 H new ATOM 0 HA PHE A 463 0.921 6.568 -1.379 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.169 3.792 -1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.274 5.013 -3.030 1.00 0.00 H new ATOM 0 HD1 PHE A 463 2.876 5.724 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 463 1.264 1.992 -1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 463 5.089 4.686 -3.129 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.476 0.952 -1.858 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.392 2.297 -2.618 1.00 0.00 H new ATOM 755 N PRO A 464 -1.620 6.771 -1.305 1.00 0.00 N ATOM 756 CA PRO A 464 -3.018 7.115 -1.032 1.00 0.00 C ATOM 757 C PRO A 464 -3.971 5.969 -1.352 1.00 0.00 C ATOM 758 O PRO A 464 -3.749 5.209 -2.295 1.00 0.00 O ATOM 759 CB PRO A 464 -3.280 8.303 -1.961 1.00 0.00 C ATOM 760 CG PRO A 464 -2.303 8.135 -3.074 1.00 0.00 C ATOM 761 CD PRO A 464 -1.082 7.507 -2.462 1.00 0.00 C ATOM 0 HA PRO A 464 -3.184 7.336 0.022 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -4.306 8.298 -2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -3.132 9.251 -1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.714 7.503 -3.862 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -2.061 9.095 -3.529 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.578 6.841 -3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.354 8.258 -2.157 1.00 0.00 H new ATOM 769 N ALA A 465 -5.033 5.849 -0.561 1.00 0.00 N ATOM 770 CA ALA A 465 -6.021 4.797 -0.763 1.00 0.00 C ATOM 771 C ALA A 465 -6.430 4.701 -2.229 1.00 0.00 C ATOM 772 O ALA A 465 -6.873 3.650 -2.691 1.00 0.00 O ATOM 773 CB ALA A 465 -7.241 5.043 0.113 1.00 0.00 C ATOM 0 H ALA A 465 -5.231 6.468 0.225 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.568 3.848 -0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -7.971 4.250 -0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -6.941 5.052 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.687 6.004 -0.145 1.00 0.00 H new ATOM 779 N GLN A 466 -6.279 5.805 -2.954 1.00 0.00 N ATOM 780 CA GLN A 466 -6.635 5.844 -4.367 1.00 0.00 C ATOM 781 C GLN A 466 -5.574 5.149 -5.215 1.00 0.00 C ATOM 782 O GLN A 466 -5.896 4.374 -6.114 1.00 0.00 O ATOM 783 CB GLN A 466 -6.807 7.291 -4.831 1.00 0.00 C ATOM 784 CG GLN A 466 -7.018 7.429 -6.330 1.00 0.00 C ATOM 785 CD GLN A 466 -7.769 8.692 -6.701 1.00 0.00 C ATOM 786 OE1 GLN A 466 -8.992 8.684 -6.838 1.00 0.00 O ATOM 787 NE2 GLN A 466 -7.038 9.789 -6.866 1.00 0.00 N ATOM 0 H GLN A 466 -5.913 6.683 -2.586 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.579 5.314 -4.493 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -7.657 7.732 -4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -5.925 7.863 -4.543 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -6.050 7.426 -6.831 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -7.569 6.563 -6.697 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -6.026 9.751 -6.743 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -7.489 10.669 -7.116 1.00 0.00 H new ATOM 796 N GLU A 467 -4.309 5.433 -4.921 1.00 0.00 N ATOM 797 CA GLU A 467 -3.202 4.835 -5.658 1.00 0.00 C ATOM 798 C GLU A 467 -3.184 3.320 -5.479 1.00 0.00 C ATOM 799 O GLU A 467 -2.791 2.581 -6.383 1.00 0.00 O ATOM 800 CB GLU A 467 -1.871 5.430 -5.194 1.00 0.00 C ATOM 801 CG GLU A 467 -1.477 6.695 -5.939 1.00 0.00 C ATOM 802 CD GLU A 467 -0.951 6.411 -7.333 1.00 0.00 C ATOM 803 OE1 GLU A 467 -1.774 6.288 -8.264 1.00 0.00 O ATOM 804 OE2 GLU A 467 0.284 6.311 -7.492 1.00 0.00 O ATOM 0 H GLU A 467 -4.026 6.073 -4.179 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.342 5.057 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.933 5.650 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -1.086 4.685 -5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -2.341 7.355 -6.008 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -0.715 7.226 -5.368 1.00 0.00 H new ATOM 811 N LEU A 468 -3.612 2.864 -4.307 1.00 0.00 N ATOM 812 CA LEU A 468 -3.645 1.436 -4.007 1.00 0.00 C ATOM 813 C LEU A 468 -5.020 0.849 -4.307 1.00 0.00 C ATOM 814 O LEU A 468 -6.043 1.391 -3.887 1.00 0.00 O ATOM 815 CB LEU A 468 -3.283 1.195 -2.541 1.00 0.00 C ATOM 816 CG LEU A 468 -1.831 1.478 -2.152 1.00 0.00 C ATOM 817 CD1 LEU A 468 -1.706 1.652 -0.646 1.00 0.00 C ATOM 818 CD2 LEU A 468 -0.921 0.361 -2.640 1.00 0.00 C ATOM 0 H LEU A 468 -3.941 3.462 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 468 -2.912 0.939 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -3.931 1.814 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.507 0.156 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.521 2.407 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.666 1.853 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -2.328 2.487 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -2.035 0.741 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 468 0.108 0.579 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.230 -0.583 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -0.988 0.285 -3.725 1.00 0.00 H new ATOM 830 N ARG A 469 -5.037 -0.263 -5.034 1.00 0.00 N ATOM 831 CA ARG A 469 -6.287 -0.925 -5.389 1.00 0.00 C ATOM 832 C ARG A 469 -6.447 -2.233 -4.619 1.00 0.00 C ATOM 833 O ARG A 469 -5.467 -2.915 -4.321 1.00 0.00 O ATOM 834 CB ARG A 469 -6.335 -1.197 -6.893 1.00 0.00 C ATOM 835 CG ARG A 469 -7.351 -2.257 -7.288 1.00 0.00 C ATOM 836 CD ARG A 469 -8.775 -1.776 -7.059 1.00 0.00 C ATOM 837 NE ARG A 469 -9.308 -1.071 -8.222 1.00 0.00 N ATOM 838 CZ ARG A 469 -9.846 -1.684 -9.270 1.00 0.00 C ATOM 839 NH1 ARG A 469 -9.922 -3.007 -9.302 1.00 0.00 N ATOM 840 NH2 ARG A 469 -10.309 -0.972 -10.290 1.00 0.00 N ATOM 0 H ARG A 469 -4.200 -0.725 -5.389 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.110 -0.262 -5.120 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -6.569 -0.269 -7.414 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -5.346 -1.510 -7.229 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -7.218 -2.517 -8.338 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -7.175 -3.164 -6.710 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -9.413 -2.629 -6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -8.800 -1.116 -6.192 1.00 0.00 H new ATOM 0 HE ARG A 469 -9.265 -0.052 -8.230 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -9.567 -3.557 -8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -10.336 -3.475 -10.108 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -10.252 0.046 -10.269 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -10.722 -1.443 -11.095 1.00 0.00 H new