USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 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 450 THR OG1 : rot 91:sc= 1.58 USER MOD Set 1.2: A 461 THR OG1 : rot 139:sc= 0.373 USER MOD Set 2.1: A 379 CYS SG : rot -86:sc= 2.38 USER MOD Set 2.2: A 381 MET CE :methyl -137:sc= 0 (180deg=-0.0614) USER MOD Set 2.3: A 464 CYS SG : rot 147:sc= 0.592 USER MOD Single : A 375 THR OG1 : rot -126:sc= -4.01! USER MOD Single : A 382 ASN : amide:sc= -0.99 K(o=-0.99,f=-2!) USER MOD Single : A 383 MET CE :methyl 162:sc= -0.16 (180deg=-0.642) USER MOD Single : A 395 TYR OH : rot -16:sc= 1.24 USER MOD Single : A 406 CYS SG : rot 95:sc= -1.57 USER MOD Single : A 407 SER OG : rot -56:sc= 0.282 USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 TYR OH : rot 30:sc= 0 USER MOD Single : A 413 LYS NZ :NH3+ -163:sc= 0.116 (180deg=0.052) USER MOD Single : A 414 SER OG : rot 180:sc= 0 USER MOD Single : A 429 CYS SG : rot 170:sc= -1.06 USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 437 THR OG1 : rot 150:sc= -0.309 USER MOD Single : A 438 SER OG : rot -113:sc= 0.0638 USER MOD Single : A 442 CYS SG : rot -83:sc= -1.31! USER MOD Single : A 443 GLN : amide:sc= -0.498 X(o=-0.5,f=0) USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 446 MET CE :methyl -169:sc= 0 (180deg=-0.132) USER MOD Single : A 447 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 462 LYS NZ :NH3+ 154:sc= -0.0471 (180deg=-0.498) USER MOD Single : A 463 TYR OH : rot 180:sc= -0.625 USER MOD Single : A 468 SER OG : rot 180:sc= 0 USER MOD Single : A 469 TYR OH : rot 152:sc= -0.151 USER MOD Single : A 470 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : B 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 26 N PRO A 374 -0.718 15.053 -8.391 1.00 0.00 N ATOM 27 CA PRO A 374 -0.039 14.731 -7.146 1.00 0.00 C ATOM 28 C PRO A 374 -0.962 14.802 -5.935 1.00 0.00 C ATOM 29 O PRO A 374 -1.567 15.838 -5.657 1.00 0.00 O ATOM 30 CB PRO A 374 1.061 15.795 -7.047 1.00 0.00 C ATOM 31 CG PRO A 374 0.795 16.794 -8.124 1.00 0.00 C ATOM 32 CD PRO A 374 -0.539 16.463 -8.739 1.00 0.00 C ATOM 0 HA PRO A 374 0.339 13.708 -7.149 1.00 0.00 H new ATOM 0 HB2 PRO A 374 1.050 16.272 -6.067 1.00 0.00 H new ATOM 0 HB3 PRO A 374 2.046 15.345 -7.172 1.00 0.00 H new ATOM 0 HG2 PRO A 374 0.787 17.804 -7.715 1.00 0.00 H new ATOM 0 HG3 PRO A 374 1.582 16.762 -8.878 1.00 0.00 H new ATOM 0 HD2 PRO A 374 -1.337 17.084 -8.332 1.00 0.00 H new ATOM 0 HD3 PRO A 374 -0.535 16.616 -9.818 1.00 0.00 H new ATOM 40 N THR A 375 -1.061 13.686 -5.219 1.00 0.00 N ATOM 41 CA THR A 375 -1.895 13.606 -4.027 1.00 0.00 C ATOM 42 C THR A 375 -1.036 13.338 -2.797 1.00 0.00 C ATOM 43 O THR A 375 0.178 13.169 -2.910 1.00 0.00 O ATOM 44 CB THR A 375 -2.959 12.506 -4.156 1.00 0.00 C ATOM 45 OG1 THR A 375 -3.391 12.087 -2.860 1.00 0.00 O ATOM 46 CG2 THR A 375 -2.409 11.315 -4.915 1.00 0.00 C ATOM 0 H THR A 375 -0.571 12.821 -5.446 1.00 0.00 H new ATOM 0 HA THR A 375 -2.403 14.564 -3.918 1.00 0.00 H new ATOM 0 HB THR A 375 -3.806 12.914 -4.707 1.00 0.00 H new ATOM 0 HG1 THR A 375 -3.294 11.115 -2.781 1.00 0.00 H new ATOM 0 HG21 THR A 375 -3.179 10.547 -4.995 1.00 0.00 H new ATOM 0 HG22 THR A 375 -2.104 11.629 -5.913 1.00 0.00 H new ATOM 0 HG23 THR A 375 -1.548 10.911 -4.383 1.00 0.00 H new ATOM 54 N GLU A 376 -1.662 13.284 -1.625 1.00 0.00 N ATOM 55 CA GLU A 376 -0.919 13.066 -0.392 1.00 0.00 C ATOM 56 C GLU A 376 -1.180 11.702 0.250 1.00 0.00 C ATOM 57 O GLU A 376 -0.993 11.555 1.454 1.00 0.00 O ATOM 58 CB GLU A 376 -1.237 14.168 0.616 1.00 0.00 C ATOM 59 CG GLU A 376 -2.715 14.495 0.712 1.00 0.00 C ATOM 60 CD GLU A 376 -3.020 15.497 1.808 1.00 0.00 C ATOM 61 OE1 GLU A 376 -2.785 16.705 1.591 1.00 0.00 O ATOM 62 OE2 GLU A 376 -3.494 15.074 2.884 1.00 0.00 O ATOM 0 H GLU A 376 -2.670 13.387 -1.505 1.00 0.00 H new ATOM 0 HA GLU A 376 0.135 13.090 -0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -0.876 13.865 1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -0.691 15.070 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.059 14.891 -0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.275 13.578 0.897 1.00 0.00 H new ATOM 69 N VAL A 377 -1.634 10.706 -0.514 1.00 0.00 N ATOM 70 CA VAL A 377 -1.838 9.384 0.068 1.00 0.00 C ATOM 71 C VAL A 377 -1.216 8.309 -0.822 1.00 0.00 C ATOM 72 O VAL A 377 -1.551 8.183 -1.999 1.00 0.00 O ATOM 73 CB VAL A 377 -3.333 9.093 0.369 1.00 0.00 C ATOM 74 CG1 VAL A 377 -4.195 10.296 0.025 1.00 0.00 C ATOM 75 CG2 VAL A 377 -3.833 7.847 -0.350 1.00 0.00 C ATOM 0 H VAL A 377 -1.860 10.786 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 377 -1.329 9.365 1.032 1.00 0.00 H new ATOM 0 HB VAL A 377 -3.414 8.900 1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 377 -5.239 10.070 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 377 -3.877 11.153 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 377 -4.088 10.529 -1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 377 -4.883 7.684 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 377 -3.724 7.980 -1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 377 -3.249 6.984 -0.030 1.00 0.00 H new ATOM 85 N LEU A 378 -0.284 7.555 -0.247 1.00 0.00 N ATOM 86 CA LEU A 378 0.415 6.504 -0.978 1.00 0.00 C ATOM 87 C LEU A 378 -0.292 5.166 -0.831 1.00 0.00 C ATOM 88 O LEU A 378 -0.865 4.873 0.213 1.00 0.00 O ATOM 89 CB LEU A 378 1.856 6.389 -0.477 1.00 0.00 C ATOM 90 CG LEU A 378 2.931 6.606 -1.540 1.00 0.00 C ATOM 91 CD1 LEU A 378 3.949 7.630 -1.067 1.00 0.00 C ATOM 92 CD2 LEU A 378 3.616 5.292 -1.879 1.00 0.00 C ATOM 0 H LEU A 378 0.005 7.653 0.726 1.00 0.00 H new ATOM 0 HA LEU A 378 0.418 6.772 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 378 2.005 7.115 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 378 1.994 5.400 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 378 2.452 6.988 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 378 4.707 7.772 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 378 3.448 8.578 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 378 4.423 7.276 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 378 4.379 5.465 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 378 4.082 4.883 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 378 2.879 4.585 -2.260 1.00 0.00 H new ATOM 104 N CYS A 379 -0.236 4.357 -1.885 1.00 0.00 N ATOM 105 CA CYS A 379 -0.871 3.043 -1.880 1.00 0.00 C ATOM 106 C CYS A 379 0.176 1.935 -1.907 1.00 0.00 C ATOM 107 O CYS A 379 1.198 2.049 -2.586 1.00 0.00 O ATOM 108 CB CYS A 379 -1.814 2.904 -3.076 1.00 0.00 C ATOM 109 SG CYS A 379 -3.330 1.986 -2.718 1.00 0.00 S ATOM 0 H CYS A 379 0.244 4.589 -2.755 1.00 0.00 H new ATOM 0 HA CYS A 379 -1.449 2.948 -0.961 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -2.080 3.899 -3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.283 2.406 -3.887 1.00 0.00 H new ATOM 0 HG CYS A 379 -3.110 0.713 -2.862 1.00 0.00 H new ATOM 115 N LEU A 380 -0.084 0.862 -1.166 1.00 0.00 N ATOM 116 CA LEU A 380 0.840 -0.265 -1.099 1.00 0.00 C ATOM 117 C LEU A 380 0.106 -1.589 -1.291 1.00 0.00 C ATOM 118 O LEU A 380 -0.685 -2.002 -0.443 1.00 0.00 O ATOM 119 CB LEU A 380 1.577 -0.262 0.244 1.00 0.00 C ATOM 120 CG LEU A 380 1.906 1.125 0.800 1.00 0.00 C ATOM 121 CD1 LEU A 380 1.934 1.099 2.321 1.00 0.00 C ATOM 122 CD2 LEU A 380 3.234 1.619 0.249 1.00 0.00 C ATOM 0 H LEU A 380 -0.927 0.749 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 380 1.565 -0.158 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 380 0.970 -0.795 0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 380 2.506 -0.822 0.133 1.00 0.00 H new ATOM 0 HG LEU A 380 1.125 1.816 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 380 2.170 2.094 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 380 0.959 0.790 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 380 2.694 0.394 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 380 3.452 2.607 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 380 4.026 0.927 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 380 3.178 1.678 -0.838 1.00 0.00 H new ATOM 134 N MET A 381 0.376 -2.252 -2.411 1.00 0.00 N ATOM 135 CA MET A 381 -0.258 -3.529 -2.718 1.00 0.00 C ATOM 136 C MET A 381 0.784 -4.634 -2.866 1.00 0.00 C ATOM 137 O MET A 381 1.971 -4.360 -3.048 1.00 0.00 O ATOM 138 CB MET A 381 -1.083 -3.417 -4.000 1.00 0.00 C ATOM 139 CG MET A 381 -2.543 -3.078 -3.756 1.00 0.00 C ATOM 140 SD MET A 381 -2.811 -1.316 -3.483 1.00 0.00 S ATOM 141 CE MET A 381 -2.724 -0.697 -5.160 1.00 0.00 C ATOM 0 H MET A 381 1.031 -1.925 -3.122 1.00 0.00 H new ATOM 0 HA MET A 381 -0.918 -3.786 -1.890 1.00 0.00 H new ATOM 0 HB2 MET A 381 -0.643 -2.652 -4.640 1.00 0.00 H new ATOM 0 HB3 MET A 381 -1.024 -4.360 -4.544 1.00 0.00 H new ATOM 0 HG2 MET A 381 -3.135 -3.403 -4.611 1.00 0.00 H new ATOM 0 HG3 MET A 381 -2.901 -3.634 -2.890 1.00 0.00 H new ATOM 0 HE1 MET A 381 -2.136 0.221 -5.179 1.00 0.00 H new ATOM 0 HE2 MET A 381 -2.252 -1.443 -5.799 1.00 0.00 H new ATOM 0 HE3 MET A 381 -3.730 -0.491 -5.524 1.00 0.00 H new ATOM 151 N ASN A 382 0.327 -5.882 -2.789 1.00 0.00 N ATOM 152 CA ASN A 382 1.213 -7.036 -2.912 1.00 0.00 C ATOM 153 C ASN A 382 2.328 -6.979 -1.873 1.00 0.00 C ATOM 154 O ASN A 382 3.488 -7.263 -2.175 1.00 0.00 O ATOM 155 CB ASN A 382 1.808 -7.103 -4.320 1.00 0.00 C ATOM 156 CG ASN A 382 1.987 -8.528 -4.807 1.00 0.00 C ATOM 157 OD1 ASN A 382 1.276 -9.437 -4.379 1.00 0.00 O ATOM 158 ND2 ASN A 382 2.943 -8.731 -5.706 1.00 0.00 N ATOM 0 H ASN A 382 -0.654 -6.120 -2.642 1.00 0.00 H new ATOM 0 HA ASN A 382 0.624 -7.936 -2.734 1.00 0.00 H new ATOM 0 HB2 ASN A 382 1.159 -6.565 -5.011 1.00 0.00 H new ATOM 0 HB3 ASN A 382 2.773 -6.596 -4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 382 3.111 -9.669 -6.069 1.00 0.00 H new ATOM 0 HD22 ASN A 382 3.509 -7.949 -6.034 1.00 0.00 H new ATOM 165 N MET A 383 1.967 -6.611 -0.648 1.00 0.00 N ATOM 166 CA MET A 383 2.935 -6.518 0.439 1.00 0.00 C ATOM 167 C MET A 383 2.283 -6.852 1.777 1.00 0.00 C ATOM 168 O MET A 383 2.860 -6.609 2.836 1.00 0.00 O ATOM 169 CB MET A 383 3.549 -5.117 0.490 1.00 0.00 C ATOM 170 CG MET A 383 2.535 -3.998 0.318 1.00 0.00 C ATOM 171 SD MET A 383 1.890 -3.398 1.891 1.00 0.00 S ATOM 172 CE MET A 383 3.289 -2.453 2.490 1.00 0.00 C ATOM 0 H MET A 383 1.011 -6.372 -0.383 1.00 0.00 H new ATOM 0 HA MET A 383 3.726 -7.243 0.250 1.00 0.00 H new ATOM 0 HB2 MET A 383 4.060 -4.989 1.444 1.00 0.00 H new ATOM 0 HB3 MET A 383 4.305 -5.033 -0.290 1.00 0.00 H new ATOM 0 HG2 MET A 383 3.000 -3.171 -0.219 1.00 0.00 H new ATOM 0 HG3 MET A 383 1.709 -4.353 -0.297 1.00 0.00 H new ATOM 0 HE1 MET A 383 2.958 -1.770 3.272 1.00 0.00 H new ATOM 0 HE2 MET A 383 4.040 -3.132 2.895 1.00 0.00 H new ATOM 0 HE3 MET A 383 3.721 -1.882 1.668 1.00 0.00 H new ATOM 182 N VAL A 384 1.077 -7.412 1.719 1.00 0.00 N ATOM 183 CA VAL A 384 0.345 -7.781 2.926 1.00 0.00 C ATOM 184 C VAL A 384 -0.653 -8.899 2.649 1.00 0.00 C ATOM 185 O VAL A 384 -1.653 -8.693 1.960 1.00 0.00 O ATOM 186 CB VAL A 384 -0.414 -6.578 3.522 1.00 0.00 C ATOM 187 CG1 VAL A 384 0.435 -5.869 4.564 1.00 0.00 C ATOM 188 CG2 VAL A 384 -0.841 -5.613 2.426 1.00 0.00 C ATOM 0 H VAL A 384 0.587 -7.620 0.849 1.00 0.00 H new ATOM 0 HA VAL A 384 1.089 -8.126 3.644 1.00 0.00 H new ATOM 0 HB VAL A 384 -1.312 -6.952 4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 384 -0.120 -5.024 4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 384 0.680 -6.564 5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 384 1.355 -5.511 4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 384 -1.375 -4.772 2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 384 0.041 -5.247 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 384 -1.495 -6.128 1.723 1.00 0.00 H new ATOM 198 N LEU A 385 -0.378 -10.083 3.188 1.00 0.00 N ATOM 199 CA LEU A 385 -1.260 -11.230 3.004 1.00 0.00 C ATOM 200 C LEU A 385 -2.306 -11.281 4.117 1.00 0.00 C ATOM 201 O LEU A 385 -2.074 -10.772 5.213 1.00 0.00 O ATOM 202 CB LEU A 385 -0.452 -12.530 2.986 1.00 0.00 C ATOM 203 CG LEU A 385 -0.393 -13.236 1.631 1.00 0.00 C ATOM 204 CD1 LEU A 385 0.697 -12.632 0.761 1.00 0.00 C ATOM 205 CD2 LEU A 385 -0.163 -14.728 1.819 1.00 0.00 C ATOM 0 H LEU A 385 0.448 -10.273 3.755 1.00 0.00 H new ATOM 0 HA LEU A 385 -1.769 -11.121 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 385 0.566 -12.312 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -0.879 -13.216 3.718 1.00 0.00 H new ATOM 0 HG LEU A 385 -1.349 -13.096 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 385 0.724 -13.147 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 385 0.489 -11.574 0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 385 1.661 -12.740 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -0.124 -15.216 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 385 0.779 -14.888 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -0.980 -15.151 2.404 1.00 0.00 H new ATOM 217 N PRO A 386 -3.473 -11.899 3.854 1.00 0.00 N ATOM 218 CA PRO A 386 -4.548 -12.004 4.847 1.00 0.00 C ATOM 219 C PRO A 386 -4.130 -12.814 6.067 1.00 0.00 C ATOM 220 O PRO A 386 -4.660 -12.627 7.161 1.00 0.00 O ATOM 221 CB PRO A 386 -5.675 -12.712 4.090 1.00 0.00 C ATOM 222 CG PRO A 386 -5.002 -13.413 2.963 1.00 0.00 C ATOM 223 CD PRO A 386 -3.836 -12.548 2.581 1.00 0.00 C ATOM 0 HA PRO A 386 -4.835 -11.028 5.238 1.00 0.00 H new ATOM 0 HB2 PRO A 386 -6.202 -13.416 4.734 1.00 0.00 H new ATOM 0 HB3 PRO A 386 -6.414 -11.999 3.726 1.00 0.00 H new ATOM 0 HG2 PRO A 386 -4.670 -14.407 3.263 1.00 0.00 H new ATOM 0 HG3 PRO A 386 -5.683 -13.545 2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 386 -3.012 -13.137 2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 386 -4.108 -11.818 1.819 1.00 0.00 H new ATOM 231 N GLU A 387 -3.175 -13.718 5.869 1.00 0.00 N ATOM 232 CA GLU A 387 -2.680 -14.554 6.955 1.00 0.00 C ATOM 233 C GLU A 387 -1.702 -13.775 7.830 1.00 0.00 C ATOM 234 O GLU A 387 -1.179 -14.297 8.814 1.00 0.00 O ATOM 235 CB GLU A 387 -1.998 -15.803 6.395 1.00 0.00 C ATOM 236 CG GLU A 387 -2.331 -17.073 7.161 1.00 0.00 C ATOM 237 CD GLU A 387 -1.253 -18.131 7.035 1.00 0.00 C ATOM 238 OE1 GLU A 387 -0.215 -18.004 7.719 1.00 0.00 O ATOM 239 OE2 GLU A 387 -1.444 -19.085 6.252 1.00 0.00 O ATOM 0 H GLU A 387 -2.730 -13.889 4.967 1.00 0.00 H new ATOM 0 HA GLU A 387 -3.529 -14.858 7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 387 -2.290 -15.930 5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 387 -0.918 -15.654 6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 387 -2.475 -16.830 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 387 -3.275 -17.476 6.795 1.00 0.00 H new ATOM 246 N GLU A 388 -1.465 -12.520 7.458 1.00 0.00 N ATOM 247 CA GLU A 388 -0.553 -11.658 8.200 1.00 0.00 C ATOM 248 C GLU A 388 -1.312 -10.523 8.878 1.00 0.00 C ATOM 249 O GLU A 388 -0.858 -9.972 9.881 1.00 0.00 O ATOM 250 CB GLU A 388 0.512 -11.086 7.264 1.00 0.00 C ATOM 251 CG GLU A 388 1.506 -12.122 6.768 1.00 0.00 C ATOM 252 CD GLU A 388 2.773 -11.498 6.214 1.00 0.00 C ATOM 253 OE1 GLU A 388 3.653 -11.127 7.020 1.00 0.00 O ATOM 254 OE2 GLU A 388 2.885 -11.380 4.976 1.00 0.00 O ATOM 0 H GLU A 388 -1.894 -12.078 6.645 1.00 0.00 H new ATOM 0 HA GLU A 388 -0.067 -12.258 8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 388 0.021 -10.626 6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 388 1.053 -10.295 7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 388 1.764 -12.793 7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 388 1.036 -12.729 5.994 1.00 0.00 H new ATOM 261 N LEU A 389 -2.470 -10.178 8.323 1.00 0.00 N ATOM 262 CA LEU A 389 -3.294 -9.111 8.878 1.00 0.00 C ATOM 263 C LEU A 389 -4.418 -9.692 9.726 1.00 0.00 C ATOM 264 O LEU A 389 -5.516 -9.136 9.791 1.00 0.00 O ATOM 265 CB LEU A 389 -3.873 -8.237 7.759 1.00 0.00 C ATOM 266 CG LEU A 389 -2.934 -7.965 6.578 1.00 0.00 C ATOM 267 CD1 LEU A 389 -3.499 -6.868 5.689 1.00 0.00 C ATOM 268 CD2 LEU A 389 -1.544 -7.581 7.067 1.00 0.00 C ATOM 0 H LEU A 389 -2.858 -10.622 7.490 1.00 0.00 H new ATOM 0 HA LEU A 389 -2.663 -8.488 9.513 1.00 0.00 H new ATOM 0 HB2 LEU A 389 -4.776 -8.715 7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 389 -4.174 -7.281 8.188 1.00 0.00 H new ATOM 0 HG LEU A 389 -2.852 -8.882 5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 389 -2.819 -6.688 4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 389 -4.471 -7.176 5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 389 -3.612 -5.952 6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 389 -0.896 -7.393 6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 389 -1.609 -6.680 7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 389 -1.130 -8.394 7.663 1.00 0.00 H new ATOM 280 N LEU A 390 -4.132 -10.814 10.377 1.00 0.00 N ATOM 281 CA LEU A 390 -5.112 -11.482 11.221 1.00 0.00 C ATOM 282 C LEU A 390 -4.578 -11.658 12.639 1.00 0.00 C ATOM 283 O LEU A 390 -5.347 -11.760 13.595 1.00 0.00 O ATOM 284 CB LEU A 390 -5.476 -12.842 10.626 1.00 0.00 C ATOM 285 CG LEU A 390 -6.902 -12.953 10.097 1.00 0.00 C ATOM 286 CD1 LEU A 390 -7.008 -14.083 9.085 1.00 0.00 C ATOM 287 CD2 LEU A 390 -7.878 -13.165 11.243 1.00 0.00 C ATOM 0 H LEU A 390 -3.226 -11.280 10.335 1.00 0.00 H new ATOM 0 HA LEU A 390 -6.006 -10.860 11.266 1.00 0.00 H new ATOM 0 HB2 LEU A 390 -4.785 -13.063 9.813 1.00 0.00 H new ATOM 0 HB3 LEU A 390 -5.327 -13.607 11.388 1.00 0.00 H new ATOM 0 HG LEU A 390 -7.159 -12.020 9.596 1.00 0.00 H new ATOM 0 HD11 LEU A 390 -8.032 -14.148 8.718 1.00 0.00 H new ATOM 0 HD12 LEU A 390 -6.335 -13.888 8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 390 -6.733 -15.024 9.561 1.00 0.00 H new ATOM 0 HD21 LEU A 390 -8.891 -13.242 10.848 1.00 0.00 H new ATOM 0 HD22 LEU A 390 -7.624 -14.083 11.772 1.00 0.00 H new ATOM 0 HD23 LEU A 390 -7.820 -12.322 11.931 1.00 0.00 H new ATOM 299 N ASP A 391 -3.256 -11.694 12.766 1.00 0.00 N ATOM 300 CA ASP A 391 -2.615 -11.857 14.065 1.00 0.00 C ATOM 301 C ASP A 391 -2.301 -10.500 14.686 1.00 0.00 C ATOM 302 O ASP A 391 -1.982 -9.544 13.981 1.00 0.00 O ATOM 303 CB ASP A 391 -1.333 -12.677 13.925 1.00 0.00 C ATOM 304 CG ASP A 391 -1.101 -13.594 15.109 1.00 0.00 C ATOM 305 OD1 ASP A 391 -1.674 -14.704 15.122 1.00 0.00 O ATOM 306 OD2 ASP A 391 -0.348 -13.202 16.025 1.00 0.00 O ATOM 0 H ASP A 391 -2.607 -11.612 11.984 1.00 0.00 H new ATOM 0 HA ASP A 391 -3.305 -12.387 14.721 1.00 0.00 H new ATOM 0 HB2 ASP A 391 -1.383 -13.272 13.013 1.00 0.00 H new ATOM 0 HB3 ASP A 391 -0.483 -12.002 13.819 1.00 0.00 H new ATOM 311 N ASP A 392 -2.392 -10.425 16.010 1.00 0.00 N ATOM 312 CA ASP A 392 -2.124 -9.183 16.729 1.00 0.00 C ATOM 313 C ASP A 392 -0.646 -8.811 16.659 1.00 0.00 C ATOM 314 O ASP A 392 -0.295 -7.631 16.605 1.00 0.00 O ATOM 315 CB ASP A 392 -2.562 -9.313 18.188 1.00 0.00 C ATOM 316 CG ASP A 392 -4.070 -9.302 18.343 1.00 0.00 C ATOM 317 OD1 ASP A 392 -4.719 -8.409 17.761 1.00 0.00 O ATOM 318 OD2 ASP A 392 -4.601 -10.187 19.047 1.00 0.00 O ATOM 0 H ASP A 392 -2.650 -11.210 16.608 1.00 0.00 H new ATOM 0 HA ASP A 392 -2.697 -8.388 16.251 1.00 0.00 H new ATOM 0 HB2 ASP A 392 -2.164 -10.239 18.603 1.00 0.00 H new ATOM 0 HB3 ASP A 392 -2.134 -8.495 18.767 1.00 0.00 H new ATOM 323 N GLU A 393 0.218 -9.822 16.654 1.00 0.00 N ATOM 324 CA GLU A 393 1.658 -9.597 16.600 1.00 0.00 C ATOM 325 C GLU A 393 2.087 -9.203 15.193 1.00 0.00 C ATOM 326 O GLU A 393 2.790 -8.211 15.002 1.00 0.00 O ATOM 327 CB GLU A 393 2.408 -10.855 17.043 1.00 0.00 C ATOM 328 CG GLU A 393 3.913 -10.666 17.132 1.00 0.00 C ATOM 329 CD GLU A 393 4.649 -11.284 15.958 1.00 0.00 C ATOM 330 OE1 GLU A 393 4.278 -12.404 15.548 1.00 0.00 O ATOM 331 OE2 GLU A 393 5.596 -10.649 15.450 1.00 0.00 O ATOM 0 H GLU A 393 -0.054 -10.804 16.687 1.00 0.00 H new ATOM 0 HA GLU A 393 1.903 -8.781 17.279 1.00 0.00 H new ATOM 0 HB2 GLU A 393 2.031 -11.169 18.017 1.00 0.00 H new ATOM 0 HB3 GLU A 393 2.192 -11.662 16.343 1.00 0.00 H new ATOM 0 HG2 GLU A 393 4.140 -9.601 17.178 1.00 0.00 H new ATOM 0 HG3 GLU A 393 4.277 -11.110 18.059 1.00 0.00 H new ATOM 338 N GLU A 394 1.657 -9.988 14.214 1.00 0.00 N ATOM 339 CA GLU A 394 1.993 -9.726 12.820 1.00 0.00 C ATOM 340 C GLU A 394 1.484 -8.353 12.390 1.00 0.00 C ATOM 341 O GLU A 394 2.146 -7.644 11.631 1.00 0.00 O ATOM 342 CB GLU A 394 1.400 -10.811 11.918 1.00 0.00 C ATOM 343 CG GLU A 394 2.218 -11.075 10.664 1.00 0.00 C ATOM 344 CD GLU A 394 3.291 -12.123 10.880 1.00 0.00 C ATOM 345 OE1 GLU A 394 4.003 -12.042 11.903 1.00 0.00 O ATOM 346 OE2 GLU A 394 3.420 -13.025 10.025 1.00 0.00 O ATOM 0 H GLU A 394 1.074 -10.812 14.359 1.00 0.00 H new ATOM 0 HA GLU A 394 3.079 -9.739 12.723 1.00 0.00 H new ATOM 0 HB2 GLU A 394 1.313 -11.737 12.487 1.00 0.00 H new ATOM 0 HB3 GLU A 394 0.391 -10.519 11.628 1.00 0.00 H new ATOM 0 HG2 GLU A 394 1.554 -11.400 9.863 1.00 0.00 H new ATOM 0 HG3 GLU A 394 2.683 -10.146 10.336 1.00 0.00 H new ATOM 353 N TYR A 395 0.305 -7.986 12.883 1.00 0.00 N ATOM 354 CA TYR A 395 -0.299 -6.703 12.562 1.00 0.00 C ATOM 355 C TYR A 395 0.571 -5.545 13.044 1.00 0.00 C ATOM 356 O TYR A 395 1.027 -4.727 12.245 1.00 0.00 O ATOM 357 CB TYR A 395 -1.682 -6.614 13.202 1.00 0.00 C ATOM 358 CG TYR A 395 -2.518 -5.482 12.668 1.00 0.00 C ATOM 359 CD1 TYR A 395 -2.850 -5.419 11.324 1.00 0.00 C ATOM 360 CD2 TYR A 395 -2.975 -4.477 13.507 1.00 0.00 C ATOM 361 CE1 TYR A 395 -3.613 -4.385 10.828 1.00 0.00 C ATOM 362 CE2 TYR A 395 -3.741 -3.439 13.021 1.00 0.00 C ATOM 363 CZ TYR A 395 -4.057 -3.396 11.680 1.00 0.00 C ATOM 364 OH TYR A 395 -4.820 -2.359 11.191 1.00 0.00 O ATOM 0 H TYR A 395 -0.252 -8.566 13.511 1.00 0.00 H new ATOM 0 HA TYR A 395 -0.389 -6.629 11.478 1.00 0.00 H new ATOM 0 HB2 TYR A 395 -2.210 -7.554 13.039 1.00 0.00 H new ATOM 0 HB3 TYR A 395 -1.568 -6.495 14.279 1.00 0.00 H new ATOM 0 HD1 TYR A 395 -2.505 -6.193 10.655 1.00 0.00 H new ATOM 0 HD2 TYR A 395 -2.727 -4.508 14.558 1.00 0.00 H new ATOM 0 HE1 TYR A 395 -3.862 -4.349 9.778 1.00 0.00 H new ATOM 0 HE2 TYR A 395 -4.091 -2.664 13.687 1.00 0.00 H new ATOM 0 HH TYR A 395 -4.742 -2.328 10.215 1.00 0.00 H new ATOM 374 N GLU A 396 0.792 -5.483 14.354 1.00 0.00 N ATOM 375 CA GLU A 396 1.601 -4.420 14.947 1.00 0.00 C ATOM 376 C GLU A 396 2.985 -4.352 14.308 1.00 0.00 C ATOM 377 O GLU A 396 3.620 -3.298 14.293 1.00 0.00 O ATOM 378 CB GLU A 396 1.732 -4.635 16.457 1.00 0.00 C ATOM 379 CG GLU A 396 0.528 -4.148 17.247 1.00 0.00 C ATOM 380 CD GLU A 396 0.883 -3.060 18.242 1.00 0.00 C ATOM 381 OE1 GLU A 396 1.889 -3.222 18.967 1.00 0.00 O ATOM 382 OE2 GLU A 396 0.157 -2.046 18.298 1.00 0.00 O ATOM 0 H GLU A 396 0.423 -6.156 15.026 1.00 0.00 H new ATOM 0 HA GLU A 396 1.096 -3.472 14.761 1.00 0.00 H new ATOM 0 HB2 GLU A 396 1.879 -5.697 16.653 1.00 0.00 H new ATOM 0 HB3 GLU A 396 2.623 -4.118 16.813 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.226 -3.771 16.556 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.082 -4.989 17.778 1.00 0.00 H new ATOM 389 N GLU A 397 3.447 -5.481 13.779 1.00 0.00 N ATOM 390 CA GLU A 397 4.756 -5.547 13.139 1.00 0.00 C ATOM 391 C GLU A 397 4.778 -4.734 11.849 1.00 0.00 C ATOM 392 O GLU A 397 5.702 -3.956 11.610 1.00 0.00 O ATOM 393 CB GLU A 397 5.127 -7.003 12.837 1.00 0.00 C ATOM 394 CG GLU A 397 5.758 -7.754 14.005 1.00 0.00 C ATOM 395 CD GLU A 397 5.812 -6.945 15.289 1.00 0.00 C ATOM 396 OE1 GLU A 397 6.769 -6.159 15.455 1.00 0.00 O ATOM 397 OE2 GLU A 397 4.900 -7.099 16.127 1.00 0.00 O ATOM 0 H GLU A 397 2.934 -6.363 13.781 1.00 0.00 H new ATOM 0 HA GLU A 397 5.487 -5.123 13.828 1.00 0.00 H new ATOM 0 HB2 GLU A 397 4.229 -7.535 12.523 1.00 0.00 H new ATOM 0 HB3 GLU A 397 5.819 -7.020 11.995 1.00 0.00 H new ATOM 0 HG2 GLU A 397 5.194 -8.669 14.185 1.00 0.00 H new ATOM 0 HG3 GLU A 397 6.770 -8.052 13.730 1.00 0.00 H new ATOM 404 N ILE A 398 3.754 -4.918 11.021 1.00 0.00 N ATOM 405 CA ILE A 398 3.659 -4.208 9.751 1.00 0.00 C ATOM 406 C ILE A 398 3.325 -2.735 9.956 1.00 0.00 C ATOM 407 O ILE A 398 4.007 -1.863 9.431 1.00 0.00 O ATOM 408 CB ILE A 398 2.596 -4.839 8.833 1.00 0.00 C ATOM 409 CG1 ILE A 398 2.911 -6.315 8.600 1.00 0.00 C ATOM 410 CG2 ILE A 398 2.520 -4.090 7.510 1.00 0.00 C ATOM 411 CD1 ILE A 398 1.717 -7.116 8.141 1.00 0.00 C ATOM 0 H ILE A 398 2.978 -5.553 11.207 1.00 0.00 H new ATOM 0 HA ILE A 398 4.637 -4.289 9.277 1.00 0.00 H new ATOM 0 HB ILE A 398 1.624 -4.765 9.321 1.00 0.00 H new ATOM 0 HG12 ILE A 398 3.703 -6.397 7.855 1.00 0.00 H new ATOM 0 HG13 ILE A 398 3.296 -6.747 9.524 1.00 0.00 H new ATOM 0 HG21 ILE A 398 1.764 -4.550 6.874 1.00 0.00 H new ATOM 0 HG22 ILE A 398 2.254 -3.049 7.696 1.00 0.00 H new ATOM 0 HG23 ILE A 398 3.488 -4.133 7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 398 2.011 -8.155 7.994 1.00 0.00 H new ATOM 0 HD12 ILE A 398 0.932 -7.064 8.895 1.00 0.00 H new ATOM 0 HD13 ILE A 398 1.345 -6.708 7.201 1.00 0.00 H new ATOM 423 N VAL A 399 2.268 -2.466 10.712 1.00 0.00 N ATOM 424 CA VAL A 399 1.849 -1.092 10.978 1.00 0.00 C ATOM 425 C VAL A 399 3.019 -0.232 11.454 1.00 0.00 C ATOM 426 O VAL A 399 3.190 0.899 11.002 1.00 0.00 O ATOM 427 CB VAL A 399 0.728 -1.041 12.034 1.00 0.00 C ATOM 428 CG1 VAL A 399 0.213 0.381 12.197 1.00 0.00 C ATOM 429 CG2 VAL A 399 -0.405 -1.985 11.659 1.00 0.00 C ATOM 0 H VAL A 399 1.685 -3.178 11.152 1.00 0.00 H new ATOM 0 HA VAL A 399 1.473 -0.693 10.036 1.00 0.00 H new ATOM 0 HB VAL A 399 1.140 -1.367 12.989 1.00 0.00 H new ATOM 0 HG11 VAL A 399 -0.578 0.398 12.947 1.00 0.00 H new ATOM 0 HG12 VAL A 399 1.029 1.029 12.516 1.00 0.00 H new ATOM 0 HG13 VAL A 399 -0.182 0.736 11.245 1.00 0.00 H new ATOM 0 HG21 VAL A 399 -1.187 -1.934 12.417 1.00 0.00 H new ATOM 0 HG22 VAL A 399 -0.817 -1.693 10.693 1.00 0.00 H new ATOM 0 HG23 VAL A 399 -0.024 -3.004 11.598 1.00 0.00 H new ATOM 439 N GLU A 400 3.824 -0.776 12.362 1.00 0.00 N ATOM 440 CA GLU A 400 4.970 -0.050 12.903 1.00 0.00 C ATOM 441 C GLU A 400 6.049 0.169 11.845 1.00 0.00 C ATOM 442 O GLU A 400 6.507 1.293 11.641 1.00 0.00 O ATOM 443 CB GLU A 400 5.558 -0.804 14.098 1.00 0.00 C ATOM 444 CG GLU A 400 6.242 0.100 15.110 1.00 0.00 C ATOM 445 CD GLU A 400 7.702 -0.252 15.314 1.00 0.00 C ATOM 446 OE1 GLU A 400 8.400 -0.496 14.308 1.00 0.00 O ATOM 447 OE2 GLU A 400 8.148 -0.286 16.480 1.00 0.00 O ATOM 0 H GLU A 400 3.705 -1.716 12.739 1.00 0.00 H new ATOM 0 HA GLU A 400 4.616 0.928 13.229 1.00 0.00 H new ATOM 0 HB2 GLU A 400 4.761 -1.356 14.596 1.00 0.00 H new ATOM 0 HB3 GLU A 400 6.277 -1.539 13.735 1.00 0.00 H new ATOM 0 HG2 GLU A 400 6.165 1.135 14.777 1.00 0.00 H new ATOM 0 HG3 GLU A 400 5.719 0.032 16.064 1.00 0.00 H new ATOM 454 N ASP A 401 6.455 -0.908 11.178 1.00 0.00 N ATOM 455 CA ASP A 401 7.488 -0.829 10.147 1.00 0.00 C ATOM 456 C ASP A 401 7.065 0.099 9.011 1.00 0.00 C ATOM 457 O ASP A 401 7.744 1.082 8.715 1.00 0.00 O ATOM 458 CB ASP A 401 7.793 -2.222 9.593 1.00 0.00 C ATOM 459 CG ASP A 401 8.799 -2.975 10.441 1.00 0.00 C ATOM 460 OD1 ASP A 401 9.809 -2.363 10.848 1.00 0.00 O ATOM 461 OD2 ASP A 401 8.578 -4.178 10.697 1.00 0.00 O ATOM 0 H ASP A 401 6.085 -1.846 11.332 1.00 0.00 H new ATOM 0 HA ASP A 401 8.388 -0.420 10.607 1.00 0.00 H new ATOM 0 HB2 ASP A 401 6.869 -2.797 9.535 1.00 0.00 H new ATOM 0 HB3 ASP A 401 8.176 -2.130 8.577 1.00 0.00 H new ATOM 466 N VAL A 402 5.944 -0.230 8.375 1.00 0.00 N ATOM 467 CA VAL A 402 5.414 0.563 7.271 1.00 0.00 C ATOM 468 C VAL A 402 5.337 2.044 7.644 1.00 0.00 C ATOM 469 O VAL A 402 5.562 2.916 6.802 1.00 0.00 O ATOM 470 CB VAL A 402 4.018 0.048 6.843 1.00 0.00 C ATOM 471 CG1 VAL A 402 3.214 1.133 6.135 1.00 0.00 C ATOM 472 CG2 VAL A 402 4.161 -1.176 5.951 1.00 0.00 C ATOM 0 H VAL A 402 5.381 -1.048 8.609 1.00 0.00 H new ATOM 0 HA VAL A 402 6.098 0.456 6.429 1.00 0.00 H new ATOM 0 HB VAL A 402 3.473 -0.231 7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 402 2.240 0.736 5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 402 3.077 1.981 6.806 1.00 0.00 H new ATOM 0 HG13 VAL A 402 3.749 1.459 5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 402 3.173 -1.529 5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 402 4.732 -0.913 5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 402 4.680 -1.964 6.496 1.00 0.00 H new ATOM 482 N ARG A 403 5.024 2.324 8.906 1.00 0.00 N ATOM 483 CA ARG A 403 4.931 3.702 9.379 1.00 0.00 C ATOM 484 C ARG A 403 6.318 4.301 9.589 1.00 0.00 C ATOM 485 O ARG A 403 6.530 5.493 9.365 1.00 0.00 O ATOM 486 CB ARG A 403 4.134 3.771 10.684 1.00 0.00 C ATOM 487 CG ARG A 403 3.575 5.153 10.980 1.00 0.00 C ATOM 488 CD ARG A 403 2.734 5.156 12.246 1.00 0.00 C ATOM 489 NE ARG A 403 1.308 5.273 11.954 1.00 0.00 N ATOM 490 CZ ARG A 403 0.446 5.929 12.727 1.00 0.00 C ATOM 491 NH1 ARG A 403 0.865 6.529 13.834 1.00 0.00 N ATOM 492 NH2 ARG A 403 -0.836 5.986 12.393 1.00 0.00 N ATOM 0 H ARG A 403 4.831 1.618 9.617 1.00 0.00 H new ATOM 0 HA ARG A 403 4.413 4.282 8.615 1.00 0.00 H new ATOM 0 HB2 ARG A 403 3.311 3.057 10.636 1.00 0.00 H new ATOM 0 HB3 ARG A 403 4.776 3.463 11.509 1.00 0.00 H new ATOM 0 HG2 ARG A 403 4.395 5.863 11.085 1.00 0.00 H new ATOM 0 HG3 ARG A 403 2.969 5.489 10.139 1.00 0.00 H new ATOM 0 HD2 ARG A 403 2.916 4.238 12.804 1.00 0.00 H new ATOM 0 HD3 ARG A 403 3.043 5.984 12.885 1.00 0.00 H new ATOM 0 HE ARG A 403 0.952 4.826 11.109 1.00 0.00 H new ATOM 0 HH11 ARG A 403 1.850 6.488 14.095 1.00 0.00 H new ATOM 0 HH12 ARG A 403 0.202 7.031 14.424 1.00 0.00 H new ATOM 0 HH21 ARG A 403 -1.162 5.527 11.543 1.00 0.00 H new ATOM 0 HH22 ARG A 403 -1.496 6.489 12.986 1.00 0.00 H new ATOM 506 N ASP A 404 7.258 3.466 10.021 1.00 0.00 N ATOM 507 CA ASP A 404 8.625 3.913 10.263 1.00 0.00 C ATOM 508 C ASP A 404 9.294 4.346 8.963 1.00 0.00 C ATOM 509 O ASP A 404 9.919 5.405 8.899 1.00 0.00 O ATOM 510 CB ASP A 404 9.442 2.802 10.926 1.00 0.00 C ATOM 511 CG ASP A 404 9.773 3.114 12.372 1.00 0.00 C ATOM 512 OD1 ASP A 404 8.849 3.089 13.212 1.00 0.00 O ATOM 513 OD2 ASP A 404 10.957 3.384 12.664 1.00 0.00 O ATOM 0 H ASP A 404 7.098 2.477 10.211 1.00 0.00 H new ATOM 0 HA ASP A 404 8.584 4.771 10.934 1.00 0.00 H new ATOM 0 HB2 ASP A 404 8.885 1.866 10.877 1.00 0.00 H new ATOM 0 HB3 ASP A 404 10.367 2.652 10.368 1.00 0.00 H new ATOM 518 N GLU A 405 9.157 3.522 7.929 1.00 0.00 N ATOM 519 CA GLU A 405 9.747 3.822 6.631 1.00 0.00 C ATOM 520 C GLU A 405 9.064 5.028 6.002 1.00 0.00 C ATOM 521 O GLU A 405 9.720 5.901 5.434 1.00 0.00 O ATOM 522 CB GLU A 405 9.635 2.614 5.700 1.00 0.00 C ATOM 523 CG GLU A 405 10.867 2.397 4.837 1.00 0.00 C ATOM 524 CD GLU A 405 12.093 2.037 5.651 1.00 0.00 C ATOM 525 OE1 GLU A 405 11.958 1.249 6.611 1.00 0.00 O ATOM 526 OE2 GLU A 405 13.190 2.542 5.330 1.00 0.00 O ATOM 0 H GLU A 405 8.643 2.642 7.966 1.00 0.00 H new ATOM 0 HA GLU A 405 10.802 4.054 6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 405 9.458 1.720 6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 405 8.767 2.743 5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 405 10.667 1.603 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 405 11.069 3.302 4.264 1.00 0.00 H new ATOM 533 N CYS A 406 7.742 5.071 6.107 1.00 0.00 N ATOM 534 CA CYS A 406 6.966 6.173 5.556 1.00 0.00 C ATOM 535 C CYS A 406 7.358 7.488 6.222 1.00 0.00 C ATOM 536 O CYS A 406 7.301 8.552 5.603 1.00 0.00 O ATOM 537 CB CYS A 406 5.472 5.915 5.749 1.00 0.00 C ATOM 538 SG CYS A 406 4.731 4.886 4.459 1.00 0.00 S ATOM 0 H CYS A 406 7.184 4.353 6.570 1.00 0.00 H new ATOM 0 HA CYS A 406 7.179 6.245 4.489 1.00 0.00 H new ATOM 0 HB2 CYS A 406 5.318 5.435 6.715 1.00 0.00 H new ATOM 0 HB3 CYS A 406 4.950 6.871 5.782 1.00 0.00 H new ATOM 0 HG CYS A 406 4.724 3.645 4.845 1.00 0.00 H new ATOM 544 N SER A 407 7.759 7.405 7.487 1.00 0.00 N ATOM 545 CA SER A 407 8.164 8.583 8.245 1.00 0.00 C ATOM 546 C SER A 407 9.662 8.841 8.100 1.00 0.00 C ATOM 547 O SER A 407 10.300 9.378 9.005 1.00 0.00 O ATOM 548 CB SER A 407 7.804 8.412 9.722 1.00 0.00 C ATOM 549 OG SER A 407 7.880 9.649 10.412 1.00 0.00 O ATOM 0 H SER A 407 7.812 6.531 8.010 1.00 0.00 H new ATOM 0 HA SER A 407 7.628 9.443 7.843 1.00 0.00 H new ATOM 0 HB2 SER A 407 6.797 8.004 9.809 1.00 0.00 H new ATOM 0 HB3 SER A 407 8.480 7.692 10.183 1.00 0.00 H new ATOM 0 HG SER A 407 8.775 10.031 10.300 1.00 0.00 H new ATOM 555 N LYS A 408 10.217 8.455 6.954 1.00 0.00 N ATOM 556 CA LYS A 408 11.640 8.648 6.690 1.00 0.00 C ATOM 557 C LYS A 408 11.839 9.625 5.539 1.00 0.00 C ATOM 558 O LYS A 408 12.933 10.155 5.341 1.00 0.00 O ATOM 559 CB LYS A 408 12.312 7.313 6.363 1.00 0.00 C ATOM 560 CG LYS A 408 12.594 6.455 7.585 1.00 0.00 C ATOM 561 CD LYS A 408 13.943 5.763 7.481 1.00 0.00 C ATOM 562 CE LYS A 408 14.826 6.080 8.678 1.00 0.00 C ATOM 563 NZ LYS A 408 16.263 6.172 8.299 1.00 0.00 N ATOM 0 H LYS A 408 9.704 8.007 6.195 1.00 0.00 H new ATOM 0 HA LYS A 408 12.100 9.061 7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 408 11.675 6.754 5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 408 13.250 7.506 5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 408 12.571 7.076 8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 408 11.808 5.708 7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 408 13.796 4.685 7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 408 14.444 6.076 6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 408 14.507 7.022 9.125 1.00 0.00 H new ATOM 0 HE3 LYS A 408 14.699 5.308 9.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 16.831 6.389 9.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 16.574 5.265 7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 16.388 6.926 7.594 1.00 0.00 H new ATOM 577 N TYR A 409 10.772 9.856 4.783 1.00 0.00 N ATOM 578 CA TYR A 409 10.817 10.771 3.651 1.00 0.00 C ATOM 579 C TYR A 409 10.099 12.072 3.988 1.00 0.00 C ATOM 580 O TYR A 409 10.215 13.062 3.267 1.00 0.00 O ATOM 581 CB TYR A 409 10.179 10.126 2.419 1.00 0.00 C ATOM 582 CG TYR A 409 10.491 8.654 2.274 1.00 0.00 C ATOM 583 CD1 TYR A 409 11.727 8.230 1.802 1.00 0.00 C ATOM 584 CD2 TYR A 409 9.550 7.687 2.609 1.00 0.00 C ATOM 585 CE1 TYR A 409 12.018 6.886 1.670 1.00 0.00 C ATOM 586 CE2 TYR A 409 9.835 6.340 2.479 1.00 0.00 C ATOM 587 CZ TYR A 409 11.069 5.946 2.009 1.00 0.00 C ATOM 588 OH TYR A 409 11.355 4.606 1.880 1.00 0.00 O ATOM 0 H TYR A 409 9.862 9.420 4.935 1.00 0.00 H new ATOM 0 HA TYR A 409 11.861 10.994 3.431 1.00 0.00 H new ATOM 0 HB2 TYR A 409 9.098 10.256 2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 409 10.521 10.651 1.527 1.00 0.00 H new ATOM 0 HD1 TYR A 409 12.473 8.964 1.534 1.00 0.00 H new ATOM 0 HD2 TYR A 409 8.581 7.992 2.976 1.00 0.00 H new ATOM 0 HE1 TYR A 409 12.984 6.574 1.303 1.00 0.00 H new ATOM 0 HE2 TYR A 409 9.094 5.600 2.745 1.00 0.00 H new ATOM 0 HH TYR A 409 12.316 4.462 2.011 1.00 0.00 H new ATOM 598 N GLY A 410 9.358 12.059 5.092 1.00 0.00 N ATOM 599 CA GLY A 410 8.630 13.241 5.509 1.00 0.00 C ATOM 600 C GLY A 410 7.671 12.964 6.650 1.00 0.00 C ATOM 601 O GLY A 410 8.007 12.250 7.594 1.00 0.00 O ATOM 0 H GLY A 410 9.250 11.250 5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 410 9.339 14.011 5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 410 8.074 13.639 4.660 1.00 0.00 H new ATOM 605 N LEU A 411 6.473 13.534 6.560 1.00 0.00 N ATOM 606 CA LEU A 411 5.458 13.352 7.591 1.00 0.00 C ATOM 607 C LEU A 411 4.260 12.573 7.054 1.00 0.00 C ATOM 608 O LEU A 411 3.770 12.845 5.958 1.00 0.00 O ATOM 609 CB LEU A 411 4.998 14.713 8.123 1.00 0.00 C ATOM 610 CG LEU A 411 4.808 14.799 9.639 1.00 0.00 C ATOM 611 CD1 LEU A 411 3.773 13.789 10.110 1.00 0.00 C ATOM 612 CD2 LEU A 411 6.133 14.579 10.349 1.00 0.00 C ATOM 0 H LEU A 411 6.182 14.126 5.782 1.00 0.00 H new ATOM 0 HA LEU A 411 5.902 12.778 8.404 1.00 0.00 H new ATOM 0 HB2 LEU A 411 5.727 15.466 7.823 1.00 0.00 H new ATOM 0 HB3 LEU A 411 4.055 14.972 7.641 1.00 0.00 H new ATOM 0 HG LEU A 411 4.444 15.796 9.885 1.00 0.00 H new ATOM 0 HD11 LEU A 411 3.654 13.867 11.191 1.00 0.00 H new ATOM 0 HD12 LEU A 411 2.819 13.992 9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 411 4.104 12.783 9.854 1.00 0.00 H new ATOM 0 HD21 LEU A 411 5.983 14.643 11.427 1.00 0.00 H new ATOM 0 HD22 LEU A 411 6.523 13.593 10.095 1.00 0.00 H new ATOM 0 HD23 LEU A 411 6.845 15.343 10.036 1.00 0.00 H new ATOM 624 N VAL A 412 3.795 11.605 7.837 1.00 0.00 N ATOM 625 CA VAL A 412 2.648 10.790 7.453 1.00 0.00 C ATOM 626 C VAL A 412 1.547 10.885 8.510 1.00 0.00 C ATOM 627 O VAL A 412 1.773 10.584 9.682 1.00 0.00 O ATOM 628 CB VAL A 412 3.049 9.311 7.243 1.00 0.00 C ATOM 629 CG1 VAL A 412 3.728 8.752 8.483 1.00 0.00 C ATOM 630 CG2 VAL A 412 1.838 8.469 6.866 1.00 0.00 C ATOM 0 H VAL A 412 4.196 11.365 8.744 1.00 0.00 H new ATOM 0 HA VAL A 412 2.271 11.178 6.506 1.00 0.00 H new ATOM 0 HB VAL A 412 3.761 9.270 6.419 1.00 0.00 H new ATOM 0 HG11 VAL A 412 4.000 7.711 8.311 1.00 0.00 H new ATOM 0 HG12 VAL A 412 4.626 9.331 8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 412 3.045 8.813 9.330 1.00 0.00 H new ATOM 0 HG21 VAL A 412 2.145 7.433 6.724 1.00 0.00 H new ATOM 0 HG22 VAL A 412 1.096 8.521 7.663 1.00 0.00 H new ATOM 0 HG23 VAL A 412 1.404 8.849 5.941 1.00 0.00 H new ATOM 640 N LYS A 413 0.359 11.315 8.090 1.00 0.00 N ATOM 641 CA LYS A 413 -0.770 11.461 9.004 1.00 0.00 C ATOM 642 C LYS A 413 -1.066 10.154 9.730 1.00 0.00 C ATOM 643 O LYS A 413 -0.796 10.021 10.924 1.00 0.00 O ATOM 644 CB LYS A 413 -2.015 11.927 8.247 1.00 0.00 C ATOM 645 CG LYS A 413 -1.947 13.373 7.790 1.00 0.00 C ATOM 646 CD LYS A 413 -3.119 13.722 6.892 1.00 0.00 C ATOM 647 CE LYS A 413 -4.104 14.643 7.592 1.00 0.00 C ATOM 648 NZ LYS A 413 -5.309 13.909 8.067 1.00 0.00 N ATOM 0 H LYS A 413 0.154 11.568 7.123 1.00 0.00 H new ATOM 0 HA LYS A 413 -0.500 12.212 9.746 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -2.161 11.287 7.377 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -2.888 11.798 8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -1.943 14.031 8.659 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -1.013 13.544 7.255 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -2.753 14.202 5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -3.628 12.808 6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -3.614 15.122 8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -4.408 15.436 6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -6.070 14.587 8.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -5.625 13.247 7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -5.075 13.379 8.931 1.00 0.00 H new ATOM 662 N SER A 414 -1.621 9.191 9.003 1.00 0.00 N ATOM 663 CA SER A 414 -1.958 7.897 9.581 1.00 0.00 C ATOM 664 C SER A 414 -1.785 6.784 8.555 1.00 0.00 C ATOM 665 O SER A 414 -1.217 6.998 7.486 1.00 0.00 O ATOM 666 CB SER A 414 -3.396 7.908 10.102 1.00 0.00 C ATOM 667 OG SER A 414 -3.501 7.200 11.325 1.00 0.00 O ATOM 0 H SER A 414 -1.847 9.283 8.013 1.00 0.00 H new ATOM 0 HA SER A 414 -1.279 7.709 10.413 1.00 0.00 H new ATOM 0 HB2 SER A 414 -3.727 8.937 10.244 1.00 0.00 H new ATOM 0 HB3 SER A 414 -4.058 7.460 9.361 1.00 0.00 H new ATOM 0 HG SER A 414 -4.429 7.223 11.638 1.00 0.00 H new ATOM 673 N ILE A 415 -2.272 5.593 8.892 1.00 0.00 N ATOM 674 CA ILE A 415 -2.176 4.445 8.000 1.00 0.00 C ATOM 675 C ILE A 415 -3.406 3.551 8.125 1.00 0.00 C ATOM 676 O ILE A 415 -3.835 3.223 9.232 1.00 0.00 O ATOM 677 CB ILE A 415 -0.917 3.602 8.291 1.00 0.00 C ATOM 678 CG1 ILE A 415 0.350 4.440 8.113 1.00 0.00 C ATOM 679 CG2 ILE A 415 -0.880 2.374 7.391 1.00 0.00 C ATOM 680 CD1 ILE A 415 1.628 3.662 8.334 1.00 0.00 C ATOM 0 H ILE A 415 -2.738 5.399 9.779 1.00 0.00 H new ATOM 0 HA ILE A 415 -2.112 4.840 6.986 1.00 0.00 H new ATOM 0 HB ILE A 415 -0.959 3.269 9.328 1.00 0.00 H new ATOM 0 HG12 ILE A 415 0.359 4.859 7.107 1.00 0.00 H new ATOM 0 HG13 ILE A 415 0.321 5.279 8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 415 0.014 1.790 7.609 1.00 0.00 H new ATOM 0 HG22 ILE A 415 -1.765 1.764 7.572 1.00 0.00 H new ATOM 0 HG23 ILE A 415 -0.863 2.688 6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 415 2.484 4.321 8.191 1.00 0.00 H new ATOM 0 HD12 ILE A 415 1.641 3.265 9.349 1.00 0.00 H new ATOM 0 HD13 ILE A 415 1.681 2.839 7.622 1.00 0.00 H new ATOM 692 N GLU A 416 -3.968 3.160 6.986 1.00 0.00 N ATOM 693 CA GLU A 416 -5.141 2.295 6.972 1.00 0.00 C ATOM 694 C GLU A 416 -4.769 0.903 6.475 1.00 0.00 C ATOM 695 O GLU A 416 -4.445 0.717 5.301 1.00 0.00 O ATOM 696 CB GLU A 416 -6.239 2.894 6.092 1.00 0.00 C ATOM 697 CG GLU A 416 -7.592 2.976 6.778 1.00 0.00 C ATOM 698 CD GLU A 416 -8.421 1.722 6.586 1.00 0.00 C ATOM 699 OE1 GLU A 416 -8.905 1.499 5.457 1.00 0.00 O ATOM 700 OE2 GLU A 416 -8.589 0.965 7.565 1.00 0.00 O ATOM 0 H GLU A 416 -3.630 3.428 6.062 1.00 0.00 H new ATOM 0 HA GLU A 416 -5.519 2.213 7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -5.938 3.894 5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -6.336 2.294 5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -7.445 3.150 7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -8.141 3.833 6.388 1.00 0.00 H new ATOM 707 N ILE A 417 -4.817 -0.069 7.377 1.00 0.00 N ATOM 708 CA ILE A 417 -4.475 -1.448 7.041 1.00 0.00 C ATOM 709 C ILE A 417 -5.542 -2.420 7.544 1.00 0.00 C ATOM 710 O ILE A 417 -5.542 -2.785 8.720 1.00 0.00 O ATOM 711 CB ILE A 417 -3.105 -1.835 7.637 1.00 0.00 C ATOM 712 CG1 ILE A 417 -2.048 -0.814 7.215 1.00 0.00 C ATOM 713 CG2 ILE A 417 -2.701 -3.239 7.209 1.00 0.00 C ATOM 714 CD1 ILE A 417 -0.695 -1.029 7.859 1.00 0.00 C ATOM 0 H ILE A 417 -5.090 0.071 8.350 1.00 0.00 H new ATOM 0 HA ILE A 417 -4.424 -1.515 5.954 1.00 0.00 H new ATOM 0 HB ILE A 417 -3.185 -1.831 8.724 1.00 0.00 H new ATOM 0 HG12 ILE A 417 -1.934 -0.851 6.132 1.00 0.00 H new ATOM 0 HG13 ILE A 417 -2.403 0.186 7.464 1.00 0.00 H new ATOM 0 HG21 ILE A 417 -1.732 -3.487 7.643 1.00 0.00 H new ATOM 0 HG22 ILE A 417 -3.447 -3.954 7.556 1.00 0.00 H new ATOM 0 HG23 ILE A 417 -2.634 -3.283 6.122 1.00 0.00 H new ATOM 0 HD11 ILE A 417 -0.000 -0.265 7.510 1.00 0.00 H new ATOM 0 HD12 ILE A 417 -0.793 -0.962 8.943 1.00 0.00 H new ATOM 0 HD13 ILE A 417 -0.316 -2.015 7.589 1.00 0.00 H new ATOM 726 N PRO A 418 -6.474 -2.841 6.659 1.00 0.00 N ATOM 727 CA PRO A 418 -7.545 -3.777 7.008 1.00 0.00 C ATOM 728 C PRO A 418 -7.108 -4.841 8.012 1.00 0.00 C ATOM 729 O PRO A 418 -5.954 -5.272 8.014 1.00 0.00 O ATOM 730 CB PRO A 418 -7.871 -4.415 5.663 1.00 0.00 C ATOM 731 CG PRO A 418 -7.616 -3.340 4.659 1.00 0.00 C ATOM 732 CD PRO A 418 -6.570 -2.421 5.246 1.00 0.00 C ATOM 0 HA PRO A 418 -8.385 -3.279 7.492 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -7.244 -5.287 5.477 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -8.907 -4.753 5.626 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -7.269 -3.767 3.718 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -8.532 -2.791 4.442 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -5.614 -2.526 4.733 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -6.865 -1.375 5.160 1.00 0.00 H new ATOM 740 N ARG A 419 -8.043 -5.266 8.857 1.00 0.00 N ATOM 741 CA ARG A 419 -7.759 -6.272 9.870 1.00 0.00 C ATOM 742 C ARG A 419 -8.973 -7.171 10.095 1.00 0.00 C ATOM 743 O ARG A 419 -9.697 -7.011 11.079 1.00 0.00 O ATOM 744 CB ARG A 419 -7.350 -5.601 11.183 1.00 0.00 C ATOM 745 CG ARG A 419 -6.609 -6.526 12.134 1.00 0.00 C ATOM 746 CD ARG A 419 -7.489 -6.947 13.299 1.00 0.00 C ATOM 747 NE ARG A 419 -7.639 -8.396 13.375 1.00 0.00 N ATOM 748 CZ ARG A 419 -7.921 -9.051 14.497 1.00 0.00 C ATOM 749 NH1 ARG A 419 -8.078 -8.386 15.635 1.00 0.00 N ATOM 750 NH2 ARG A 419 -8.046 -10.372 14.483 1.00 0.00 N ATOM 0 H ARG A 419 -9.005 -4.927 8.858 1.00 0.00 H new ATOM 0 HA ARG A 419 -6.934 -6.890 9.517 1.00 0.00 H new ATOM 0 HB2 ARG A 419 -6.719 -4.741 10.960 1.00 0.00 H new ATOM 0 HB3 ARG A 419 -8.242 -5.221 11.681 1.00 0.00 H new ATOM 0 HG2 ARG A 419 -6.271 -7.410 11.594 1.00 0.00 H new ATOM 0 HG3 ARG A 419 -5.719 -6.024 12.512 1.00 0.00 H new ATOM 0 HD2 ARG A 419 -7.059 -6.578 14.230 1.00 0.00 H new ATOM 0 HD3 ARG A 419 -8.471 -6.486 13.197 1.00 0.00 H new ATOM 0 HE ARG A 419 -7.521 -8.937 12.519 1.00 0.00 H new ATOM 0 HH11 ARG A 419 -7.982 -7.371 15.650 1.00 0.00 H new ATOM 0 HH12 ARG A 419 -8.294 -8.890 16.495 1.00 0.00 H new ATOM 0 HH21 ARG A 419 -7.926 -10.886 13.610 1.00 0.00 H new ATOM 0 HH22 ARG A 419 -8.262 -10.873 15.345 1.00 0.00 H new ATOM 764 N PRO A 420 -9.215 -8.128 9.179 1.00 0.00 N ATOM 765 CA PRO A 420 -10.348 -9.053 9.283 1.00 0.00 C ATOM 766 C PRO A 420 -10.414 -9.730 10.649 1.00 0.00 C ATOM 767 O PRO A 420 -9.402 -10.215 11.155 1.00 0.00 O ATOM 768 CB PRO A 420 -10.062 -10.089 8.196 1.00 0.00 C ATOM 769 CG PRO A 420 -9.214 -9.379 7.198 1.00 0.00 C ATOM 770 CD PRO A 420 -8.400 -8.380 7.973 1.00 0.00 C ATOM 0 HA PRO A 420 -11.303 -8.542 9.165 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -9.546 -10.958 8.605 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -10.985 -10.451 7.743 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -8.569 -10.079 6.668 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -9.829 -8.882 6.448 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -7.417 -8.776 8.229 1.00 0.00 H new ATOM 0 HD3 PRO A 420 -8.237 -7.466 7.401 1.00 0.00 H new ATOM 778 N VAL A 421 -11.605 -9.763 11.246 1.00 0.00 N ATOM 779 CA VAL A 421 -11.769 -10.391 12.550 1.00 0.00 C ATOM 780 C VAL A 421 -11.943 -11.893 12.415 1.00 0.00 C ATOM 781 O VAL A 421 -13.046 -12.382 12.179 1.00 0.00 O ATOM 782 CB VAL A 421 -12.953 -9.807 13.342 1.00 0.00 C ATOM 783 CG1 VAL A 421 -13.037 -10.451 14.718 1.00 0.00 C ATOM 784 CG2 VAL A 421 -12.824 -8.295 13.457 1.00 0.00 C ATOM 0 H VAL A 421 -12.458 -9.367 10.851 1.00 0.00 H new ATOM 0 HA VAL A 421 -10.856 -10.179 13.106 1.00 0.00 H new ATOM 0 HB VAL A 421 -13.875 -10.028 12.804 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.879 -10.028 15.267 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.178 -11.526 14.608 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -12.114 -10.260 15.266 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -13.670 -7.899 14.020 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -11.897 -8.047 13.973 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -12.813 -7.854 12.460 1.00 0.00 H new ATOM 794 N ASP A 422 -10.845 -12.626 12.571 1.00 0.00 N ATOM 795 CA ASP A 422 -10.881 -14.074 12.442 1.00 0.00 C ATOM 796 C ASP A 422 -11.428 -14.426 11.069 1.00 0.00 C ATOM 797 O ASP A 422 -11.864 -15.550 10.817 1.00 0.00 O ATOM 798 CB ASP A 422 -11.745 -14.697 13.541 1.00 0.00 C ATOM 799 CG ASP A 422 -10.968 -14.928 14.823 1.00 0.00 C ATOM 800 OD1 ASP A 422 -10.248 -14.004 15.255 1.00 0.00 O ATOM 801 OD2 ASP A 422 -11.080 -16.034 15.393 1.00 0.00 O ATOM 0 H ASP A 422 -9.925 -12.241 12.786 1.00 0.00 H new ATOM 0 HA ASP A 422 -9.873 -14.474 12.551 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -12.594 -14.045 13.746 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -12.150 -15.646 13.188 1.00 0.00 H new ATOM 806 N GLY A 423 -11.391 -13.431 10.188 1.00 0.00 N ATOM 807 CA GLY A 423 -11.892 -13.587 8.845 1.00 0.00 C ATOM 808 C GLY A 423 -13.198 -12.844 8.646 1.00 0.00 C ATOM 809 O GLY A 423 -14.051 -13.273 7.868 1.00 0.00 O ATOM 0 H GLY A 423 -11.014 -12.505 10.391 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -11.152 -13.219 8.135 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -12.039 -14.646 8.632 1.00 0.00 H new ATOM 813 N VAL A 424 -13.359 -11.722 9.354 1.00 0.00 N ATOM 814 CA VAL A 424 -14.580 -10.931 9.251 1.00 0.00 C ATOM 815 C VAL A 424 -14.444 -9.798 8.233 1.00 0.00 C ATOM 816 O VAL A 424 -14.901 -9.917 7.098 1.00 0.00 O ATOM 817 CB VAL A 424 -15.016 -10.353 10.617 1.00 0.00 C ATOM 818 CG1 VAL A 424 -16.020 -9.219 10.441 1.00 0.00 C ATOM 819 CG2 VAL A 424 -15.612 -11.449 11.488 1.00 0.00 C ATOM 0 H VAL A 424 -12.663 -11.347 9.998 1.00 0.00 H new ATOM 0 HA VAL A 424 -15.353 -11.618 8.905 1.00 0.00 H new ATOM 0 HB VAL A 424 -14.131 -9.949 11.108 1.00 0.00 H new ATOM 0 HG11 VAL A 424 -16.308 -8.833 11.419 1.00 0.00 H new ATOM 0 HG12 VAL A 424 -15.567 -8.420 9.854 1.00 0.00 H new ATOM 0 HG13 VAL A 424 -16.904 -9.593 9.924 1.00 0.00 H new ATOM 0 HG21 VAL A 424 -15.915 -11.028 12.447 1.00 0.00 H new ATOM 0 HG22 VAL A 424 -16.481 -11.878 10.989 1.00 0.00 H new ATOM 0 HG23 VAL A 424 -14.868 -12.228 11.653 1.00 0.00 H new ATOM 874 N GLY A 428 -11.817 -6.539 0.765 1.00 0.00 N ATOM 875 CA GLY A 428 -10.753 -6.295 -0.189 1.00 0.00 C ATOM 876 C GLY A 428 -9.388 -6.395 0.459 1.00 0.00 C ATOM 877 O GLY A 428 -8.434 -5.752 0.021 1.00 0.00 O ATOM 0 HA2 GLY A 428 -10.823 -7.015 -1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -10.877 -5.305 -0.627 1.00 0.00 H new ATOM 881 N CYS A 429 -9.305 -7.204 1.515 1.00 0.00 N ATOM 882 CA CYS A 429 -8.058 -7.399 2.246 1.00 0.00 C ATOM 883 C CYS A 429 -6.908 -7.726 1.297 1.00 0.00 C ATOM 884 O CYS A 429 -7.105 -8.364 0.262 1.00 0.00 O ATOM 885 CB CYS A 429 -8.222 -8.515 3.280 1.00 0.00 C ATOM 886 SG CYS A 429 -6.676 -9.320 3.758 1.00 0.00 S ATOM 0 H CYS A 429 -10.093 -7.737 1.883 1.00 0.00 H new ATOM 0 HA CYS A 429 -7.818 -6.468 2.760 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -8.693 -8.102 4.172 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -8.901 -9.268 2.880 1.00 0.00 H new ATOM 0 HG CYS A 429 -6.888 -10.093 4.782 1.00 0.00 H new ATOM 892 N GLY A 430 -5.709 -7.284 1.660 1.00 0.00 N ATOM 893 CA GLY A 430 -4.542 -7.527 0.832 1.00 0.00 C ATOM 894 C GLY A 430 -3.981 -6.244 0.251 1.00 0.00 C ATOM 895 O GLY A 430 -2.899 -6.238 -0.336 1.00 0.00 O ATOM 0 H GLY A 430 -5.524 -6.760 2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -3.774 -8.023 1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -4.807 -8.206 0.022 1.00 0.00 H new ATOM 899 N LYS A 431 -4.727 -5.155 0.418 1.00 0.00 N ATOM 900 CA LYS A 431 -4.310 -3.851 -0.087 1.00 0.00 C ATOM 901 C LYS A 431 -4.371 -2.804 1.019 1.00 0.00 C ATOM 902 O LYS A 431 -5.451 -2.447 1.488 1.00 0.00 O ATOM 903 CB LYS A 431 -5.204 -3.423 -1.252 1.00 0.00 C ATOM 904 CG LYS A 431 -5.406 -4.506 -2.301 1.00 0.00 C ATOM 905 CD LYS A 431 -6.871 -4.651 -2.677 1.00 0.00 C ATOM 906 CE LYS A 431 -7.327 -3.521 -3.586 1.00 0.00 C ATOM 907 NZ LYS A 431 -8.686 -3.769 -4.142 1.00 0.00 N ATOM 0 H LYS A 431 -5.626 -5.151 0.901 1.00 0.00 H new ATOM 0 HA LYS A 431 -3.281 -3.934 -0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -6.176 -3.123 -0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -4.768 -2.545 -1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -4.823 -4.266 -3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -5.031 -5.456 -1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -7.027 -5.607 -3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -7.480 -4.661 -1.773 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -7.328 -2.585 -3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -6.616 -3.404 -4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -8.960 -2.976 -4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -8.679 -4.649 -4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -9.369 -3.855 -3.363 1.00 0.00 H new ATOM 921 N ILE A 432 -3.207 -2.313 1.434 1.00 0.00 N ATOM 922 CA ILE A 432 -3.141 -1.306 2.486 1.00 0.00 C ATOM 923 C ILE A 432 -2.398 -0.069 1.999 1.00 0.00 C ATOM 924 O ILE A 432 -1.680 -0.123 1.001 1.00 0.00 O ATOM 925 CB ILE A 432 -2.484 -1.867 3.767 1.00 0.00 C ATOM 926 CG1 ILE A 432 -0.965 -2.003 3.601 1.00 0.00 C ATOM 927 CG2 ILE A 432 -3.108 -3.211 4.094 1.00 0.00 C ATOM 928 CD1 ILE A 432 -0.226 -2.417 4.855 1.00 0.00 C ATOM 0 H ILE A 432 -2.301 -2.595 1.060 1.00 0.00 H new ATOM 0 HA ILE A 432 -4.163 -1.021 2.736 1.00 0.00 H new ATOM 0 HB ILE A 432 -2.659 -1.172 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 432 -0.763 -2.734 2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 432 -0.564 -1.049 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 432 -2.650 -3.615 4.997 1.00 0.00 H new ATOM 0 HG22 ILE A 432 -4.179 -3.086 4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 432 -2.944 -3.900 3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 432 0.841 -2.487 4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 432 -0.392 -1.676 5.637 1.00 0.00 H new ATOM 0 HD13 ILE A 432 -0.594 -3.387 5.191 1.00 0.00 H new ATOM 940 N PHE A 433 -2.570 1.044 2.700 1.00 0.00 N ATOM 941 CA PHE A 433 -1.927 2.289 2.298 1.00 0.00 C ATOM 942 C PHE A 433 -1.680 3.208 3.487 1.00 0.00 C ATOM 943 O PHE A 433 -1.946 2.843 4.631 1.00 0.00 O ATOM 944 CB PHE A 433 -2.778 3.009 1.253 1.00 0.00 C ATOM 945 CG PHE A 433 -4.258 2.887 1.474 1.00 0.00 C ATOM 946 CD1 PHE A 433 -4.858 3.478 2.573 1.00 0.00 C ATOM 947 CD2 PHE A 433 -5.049 2.194 0.573 1.00 0.00 C ATOM 948 CE1 PHE A 433 -6.221 3.379 2.770 1.00 0.00 C ATOM 949 CE2 PHE A 433 -6.413 2.094 0.762 1.00 0.00 C ATOM 950 CZ PHE A 433 -7.001 2.686 1.861 1.00 0.00 C ATOM 0 H PHE A 433 -3.143 1.111 3.541 1.00 0.00 H new ATOM 0 HA PHE A 433 -0.959 2.034 1.867 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -2.509 4.065 1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -2.535 2.612 0.267 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -4.254 4.022 3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 433 -4.594 1.726 -0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -6.678 3.842 3.632 1.00 0.00 H new ATOM 0 HE2 PHE A 433 -7.019 1.553 0.050 1.00 0.00 H new ATOM 0 HZ PHE A 433 -8.068 2.609 2.011 1.00 0.00 H new ATOM 960 N VAL A 434 -1.178 4.410 3.204 1.00 0.00 N ATOM 961 CA VAL A 434 -0.884 5.379 4.252 1.00 0.00 C ATOM 962 C VAL A 434 -1.287 6.791 3.845 1.00 0.00 C ATOM 963 O VAL A 434 -1.145 7.184 2.685 1.00 0.00 O ATOM 964 CB VAL A 434 0.618 5.387 4.618 1.00 0.00 C ATOM 965 CG1 VAL A 434 1.135 3.975 4.807 1.00 0.00 C ATOM 966 CG2 VAL A 434 1.436 6.112 3.561 1.00 0.00 C ATOM 0 H VAL A 434 -0.968 4.733 2.259 1.00 0.00 H new ATOM 0 HA VAL A 434 -1.468 5.070 5.119 1.00 0.00 H new ATOM 0 HB VAL A 434 0.726 5.924 5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 434 2.194 4.007 5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 434 0.581 3.489 5.610 1.00 0.00 H new ATOM 0 HG13 VAL A 434 1.002 3.412 3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 434 2.488 6.102 3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 434 1.315 5.612 2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 434 1.092 7.143 3.479 1.00 0.00 H new ATOM 976 N GLU A 435 -1.802 7.542 4.807 1.00 0.00 N ATOM 977 CA GLU A 435 -2.197 8.919 4.573 1.00 0.00 C ATOM 978 C GLU A 435 -1.047 9.848 4.933 1.00 0.00 C ATOM 979 O GLU A 435 -0.679 9.966 6.101 1.00 0.00 O ATOM 980 CB GLU A 435 -3.433 9.275 5.398 1.00 0.00 C ATOM 981 CG GLU A 435 -4.193 10.474 4.858 1.00 0.00 C ATOM 982 CD GLU A 435 -5.219 11.010 5.839 1.00 0.00 C ATOM 983 OE1 GLU A 435 -5.357 10.425 6.934 1.00 0.00 O ATOM 984 OE2 GLU A 435 -5.883 12.016 5.512 1.00 0.00 O ATOM 0 H GLU A 435 -1.956 7.217 5.761 1.00 0.00 H new ATOM 0 HA GLU A 435 -2.444 9.037 3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 435 -4.101 8.414 5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 435 -3.129 9.479 6.425 1.00 0.00 H new ATOM 0 HG2 GLU A 435 -3.486 11.265 4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 435 -4.694 10.194 3.932 1.00 0.00 H new ATOM 991 N PHE A 436 -0.491 10.506 3.926 1.00 0.00 N ATOM 992 CA PHE A 436 0.628 11.420 4.132 1.00 0.00 C ATOM 993 C PHE A 436 0.132 12.820 4.485 1.00 0.00 C ATOM 994 O PHE A 436 -1.059 13.023 4.725 1.00 0.00 O ATOM 995 CB PHE A 436 1.486 11.490 2.866 1.00 0.00 C ATOM 996 CG PHE A 436 2.860 10.903 3.008 1.00 0.00 C ATOM 997 CD1 PHE A 436 3.044 9.638 3.545 1.00 0.00 C ATOM 998 CD2 PHE A 436 3.969 11.616 2.587 1.00 0.00 C ATOM 999 CE1 PHE A 436 4.312 9.098 3.658 1.00 0.00 C ATOM 1000 CE2 PHE A 436 5.236 11.084 2.699 1.00 0.00 C ATOM 1001 CZ PHE A 436 5.410 9.822 3.234 1.00 0.00 C ATOM 0 H PHE A 436 -0.796 10.425 2.956 1.00 0.00 H new ATOM 0 HA PHE A 436 1.226 11.041 4.961 1.00 0.00 H new ATOM 0 HB2 PHE A 436 0.965 10.971 2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 436 1.580 12.533 2.564 1.00 0.00 H new ATOM 0 HD1 PHE A 436 2.189 9.069 3.878 1.00 0.00 H new ATOM 0 HD2 PHE A 436 3.840 12.602 2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 436 4.444 8.111 4.077 1.00 0.00 H new ATOM 0 HE2 PHE A 436 6.092 11.653 2.369 1.00 0.00 H new ATOM 0 HZ PHE A 436 6.401 9.403 3.321 1.00 0.00 H new ATOM 1011 N THR A 437 1.051 13.782 4.517 1.00 0.00 N ATOM 1012 CA THR A 437 0.706 15.160 4.852 1.00 0.00 C ATOM 1013 C THR A 437 1.073 16.123 3.728 1.00 0.00 C ATOM 1014 O THR A 437 0.650 17.279 3.730 1.00 0.00 O ATOM 1015 CB THR A 437 1.412 15.618 6.143 1.00 0.00 C ATOM 1016 OG1 THR A 437 2.783 15.928 5.865 1.00 0.00 O ATOM 1017 CG2 THR A 437 1.340 14.544 7.218 1.00 0.00 C ATOM 0 H THR A 437 2.040 13.632 4.315 1.00 0.00 H new ATOM 0 HA THR A 437 -0.374 15.178 5.001 1.00 0.00 H new ATOM 0 HB THR A 437 0.901 16.508 6.511 1.00 0.00 H new ATOM 0 HG1 THR A 437 3.091 16.627 6.478 1.00 0.00 H new ATOM 0 HG21 THR A 437 1.846 14.895 8.117 1.00 0.00 H new ATOM 0 HG22 THR A 437 0.297 14.330 7.449 1.00 0.00 H new ATOM 0 HG23 THR A 437 1.826 13.637 6.859 1.00 0.00 H new ATOM 1025 N SER A 438 1.859 15.646 2.767 1.00 0.00 N ATOM 1026 CA SER A 438 2.279 16.484 1.647 1.00 0.00 C ATOM 1027 C SER A 438 2.703 15.639 0.450 1.00 0.00 C ATOM 1028 O SER A 438 3.160 14.507 0.604 1.00 0.00 O ATOM 1029 CB SER A 438 3.428 17.399 2.075 1.00 0.00 C ATOM 1030 OG SER A 438 4.683 16.802 1.801 1.00 0.00 O ATOM 0 H SER A 438 2.216 14.691 2.740 1.00 0.00 H new ATOM 0 HA SER A 438 1.427 17.093 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 438 3.353 18.352 1.551 1.00 0.00 H new ATOM 0 HB3 SER A 438 3.349 17.614 3.141 1.00 0.00 H new ATOM 0 HG SER A 438 5.136 16.592 2.644 1.00 0.00 H new ATOM 1036 N VAL A 439 2.558 16.210 -0.743 1.00 0.00 N ATOM 1037 CA VAL A 439 2.910 15.515 -1.975 1.00 0.00 C ATOM 1038 C VAL A 439 4.398 15.627 -2.285 1.00 0.00 C ATOM 1039 O VAL A 439 4.881 15.047 -3.258 1.00 0.00 O ATOM 1040 CB VAL A 439 2.106 16.056 -3.168 1.00 0.00 C ATOM 1041 CG1 VAL A 439 0.626 16.079 -2.832 1.00 0.00 C ATOM 1042 CG2 VAL A 439 2.591 17.442 -3.566 1.00 0.00 C ATOM 0 H VAL A 439 2.198 17.154 -0.881 1.00 0.00 H new ATOM 0 HA VAL A 439 2.664 14.465 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 439 2.260 15.392 -4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 439 0.065 16.464 -3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 439 0.289 15.068 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 439 0.459 16.722 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 439 2.006 17.803 -4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 439 2.471 18.125 -2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 439 3.643 17.393 -3.847 1.00 0.00 H new ATOM 1052 N PHE A 440 5.122 16.369 -1.457 1.00 0.00 N ATOM 1053 CA PHE A 440 6.554 16.538 -1.655 1.00 0.00 C ATOM 1054 C PHE A 440 7.275 15.309 -1.136 1.00 0.00 C ATOM 1055 O PHE A 440 8.122 14.723 -1.816 1.00 0.00 O ATOM 1056 CB PHE A 440 7.055 17.790 -0.932 1.00 0.00 C ATOM 1057 CG PHE A 440 8.012 18.609 -1.751 1.00 0.00 C ATOM 1058 CD1 PHE A 440 7.546 19.460 -2.739 1.00 0.00 C ATOM 1059 CD2 PHE A 440 9.377 18.526 -1.530 1.00 0.00 C ATOM 1060 CE1 PHE A 440 8.425 20.215 -3.494 1.00 0.00 C ATOM 1061 CE2 PHE A 440 10.260 19.277 -2.281 1.00 0.00 C ATOM 1062 CZ PHE A 440 9.784 20.122 -3.264 1.00 0.00 C ATOM 0 H PHE A 440 4.743 16.860 -0.647 1.00 0.00 H new ATOM 0 HA PHE A 440 6.757 16.659 -2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 440 6.201 18.409 -0.658 1.00 0.00 H new ATOM 0 HB3 PHE A 440 7.544 17.494 -0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 440 6.484 19.535 -2.922 1.00 0.00 H new ATOM 0 HD2 PHE A 440 9.755 17.867 -0.762 1.00 0.00 H new ATOM 0 HE1 PHE A 440 8.050 20.876 -4.262 1.00 0.00 H new ATOM 0 HE2 PHE A 440 11.322 19.203 -2.100 1.00 0.00 H new ATOM 0 HZ PHE A 440 10.473 20.709 -3.852 1.00 0.00 H new ATOM 1072 N ASP A 441 6.910 14.915 0.074 1.00 0.00 N ATOM 1073 CA ASP A 441 7.488 13.743 0.702 1.00 0.00 C ATOM 1074 C ASP A 441 6.815 12.495 0.152 1.00 0.00 C ATOM 1075 O ASP A 441 7.415 11.422 0.098 1.00 0.00 O ATOM 1076 CB ASP A 441 7.322 13.818 2.220 1.00 0.00 C ATOM 1077 CG ASP A 441 7.734 15.166 2.780 1.00 0.00 C ATOM 1078 OD1 ASP A 441 8.808 15.670 2.387 1.00 0.00 O ATOM 1079 OD2 ASP A 441 6.983 15.718 3.612 1.00 0.00 O ATOM 0 H ASP A 441 6.212 15.395 0.642 1.00 0.00 H new ATOM 0 HA ASP A 441 8.554 13.702 0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 441 6.281 13.622 2.479 1.00 0.00 H new ATOM 0 HB3 ASP A 441 7.919 13.035 2.687 1.00 0.00 H new ATOM 1084 N CYS A 442 5.556 12.651 -0.261 1.00 0.00 N ATOM 1085 CA CYS A 442 4.793 11.549 -0.832 1.00 0.00 C ATOM 1086 C CYS A 442 5.446 11.079 -2.125 1.00 0.00 C ATOM 1087 O CYS A 442 5.581 9.881 -2.369 1.00 0.00 O ATOM 1088 CB CYS A 442 3.350 11.980 -1.101 1.00 0.00 C ATOM 1089 SG CYS A 442 2.212 10.607 -1.396 1.00 0.00 S ATOM 0 H CYS A 442 5.046 13.533 -0.209 1.00 0.00 H new ATOM 0 HA CYS A 442 4.783 10.726 -0.118 1.00 0.00 H new ATOM 0 HB2 CYS A 442 2.991 12.559 -0.250 1.00 0.00 H new ATOM 0 HB3 CYS A 442 3.335 12.642 -1.967 1.00 0.00 H new ATOM 0 HG CYS A 442 2.291 10.238 -2.640 1.00 0.00 H new ATOM 1095 N GLN A 443 5.855 12.039 -2.947 1.00 0.00 N ATOM 1096 CA GLN A 443 6.505 11.739 -4.215 1.00 0.00 C ATOM 1097 C GLN A 443 7.865 11.094 -3.978 1.00 0.00 C ATOM 1098 O GLN A 443 8.182 10.056 -4.561 1.00 0.00 O ATOM 1099 CB GLN A 443 6.670 13.018 -5.037 1.00 0.00 C ATOM 1100 CG GLN A 443 6.667 12.785 -6.538 1.00 0.00 C ATOM 1101 CD GLN A 443 7.487 13.817 -7.289 1.00 0.00 C ATOM 1102 OE1 GLN A 443 8.061 13.526 -8.338 1.00 0.00 O ATOM 1103 NE2 GLN A 443 7.546 15.032 -6.755 1.00 0.00 N ATOM 0 H GLN A 443 5.747 13.035 -2.756 1.00 0.00 H new ATOM 0 HA GLN A 443 5.878 11.039 -4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 443 5.865 13.708 -4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 443 7.605 13.502 -4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 443 7.060 11.790 -6.749 1.00 0.00 H new ATOM 0 HG3 GLN A 443 5.640 12.806 -6.903 1.00 0.00 H new ATOM 0 HE21 GLN A 443 7.055 15.230 -5.883 1.00 0.00 H new ATOM 0 HE22 GLN A 443 8.083 15.766 -7.217 1.00 0.00 H new ATOM 1112 N LYS A 444 8.664 11.717 -3.116 1.00 0.00 N ATOM 1113 CA LYS A 444 9.991 11.203 -2.796 1.00 0.00 C ATOM 1114 C LYS A 444 9.899 9.878 -2.041 1.00 0.00 C ATOM 1115 O LYS A 444 10.897 9.176 -1.879 1.00 0.00 O ATOM 1116 CB LYS A 444 10.767 12.226 -1.964 1.00 0.00 C ATOM 1117 CG LYS A 444 12.265 11.969 -1.925 1.00 0.00 C ATOM 1118 CD LYS A 444 12.933 12.740 -0.798 1.00 0.00 C ATOM 1119 CE LYS A 444 13.584 14.015 -1.307 1.00 0.00 C ATOM 1120 NZ LYS A 444 14.948 14.205 -0.743 1.00 0.00 N ATOM 0 H LYS A 444 8.415 12.577 -2.628 1.00 0.00 H new ATOM 0 HA LYS A 444 10.520 11.027 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 444 10.588 13.222 -2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 444 10.380 12.222 -0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 444 12.449 10.902 -1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 444 12.710 12.257 -2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 444 12.194 12.987 -0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 444 13.685 12.111 -0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 444 13.642 13.984 -2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 444 12.961 14.870 -1.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 444 15.358 15.086 -1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 444 14.890 14.261 0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 444 15.551 13.402 -1.014 1.00 0.00 H new ATOM 1134 N ALA A 445 8.696 9.543 -1.582 1.00 0.00 N ATOM 1135 CA ALA A 445 8.475 8.304 -0.843 1.00 0.00 C ATOM 1136 C ALA A 445 8.282 7.126 -1.790 1.00 0.00 C ATOM 1137 O ALA A 445 8.971 6.112 -1.685 1.00 0.00 O ATOM 1138 CB ALA A 445 7.271 8.444 0.077 1.00 0.00 C ATOM 0 H ALA A 445 7.859 10.113 -1.709 1.00 0.00 H new ATOM 0 HA ALA A 445 9.361 8.110 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 445 7.119 7.512 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 445 7.447 9.254 0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 445 6.384 8.667 -0.516 1.00 0.00 H new ATOM 1144 N MET A 446 7.338 7.266 -2.717 1.00 0.00 N ATOM 1145 CA MET A 446 7.053 6.211 -3.681 1.00 0.00 C ATOM 1146 C MET A 446 8.276 5.923 -4.548 1.00 0.00 C ATOM 1147 O MET A 446 8.501 4.785 -4.961 1.00 0.00 O ATOM 1148 CB MET A 446 5.852 6.597 -4.556 1.00 0.00 C ATOM 1149 CG MET A 446 6.231 7.218 -5.894 1.00 0.00 C ATOM 1150 SD MET A 446 4.794 7.752 -6.842 1.00 0.00 S ATOM 1151 CE MET A 446 4.112 6.173 -7.342 1.00 0.00 C ATOM 0 H MET A 446 6.759 8.099 -2.820 1.00 0.00 H new ATOM 0 HA MET A 446 6.805 5.303 -3.131 1.00 0.00 H new ATOM 0 HB2 MET A 446 5.248 5.708 -4.738 1.00 0.00 H new ATOM 0 HB3 MET A 446 5.226 7.300 -4.006 1.00 0.00 H new ATOM 0 HG2 MET A 446 6.886 8.072 -5.721 1.00 0.00 H new ATOM 0 HG3 MET A 446 6.799 6.494 -6.479 1.00 0.00 H new ATOM 0 HE1 MET A 446 3.338 6.332 -8.092 1.00 0.00 H new ATOM 0 HE2 MET A 446 4.903 5.552 -7.763 1.00 0.00 H new ATOM 0 HE3 MET A 446 3.680 5.673 -6.475 1.00 0.00 H new ATOM 1161 N GLN A 447 9.063 6.961 -4.820 1.00 0.00 N ATOM 1162 CA GLN A 447 10.264 6.816 -5.636 1.00 0.00 C ATOM 1163 C GLN A 447 11.268 5.889 -4.960 1.00 0.00 C ATOM 1164 O GLN A 447 12.196 5.390 -5.597 1.00 0.00 O ATOM 1165 CB GLN A 447 10.902 8.183 -5.888 1.00 0.00 C ATOM 1166 CG GLN A 447 11.031 8.532 -7.362 1.00 0.00 C ATOM 1167 CD GLN A 447 10.423 9.880 -7.697 1.00 0.00 C ATOM 1168 OE1 GLN A 447 10.715 10.884 -7.048 1.00 0.00 O ATOM 1169 NE2 GLN A 447 9.570 9.908 -8.715 1.00 0.00 N ATOM 0 H GLN A 447 8.891 7.910 -4.488 1.00 0.00 H new ATOM 0 HA GLN A 447 9.976 6.377 -6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 447 10.306 8.950 -5.393 1.00 0.00 H new ATOM 0 HB3 GLN A 447 11.891 8.203 -5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 447 12.085 8.534 -7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 447 10.545 7.760 -7.958 1.00 0.00 H new ATOM 0 HE21 GLN A 447 9.357 9.051 -9.226 1.00 0.00 H new ATOM 0 HE22 GLN A 447 9.128 10.786 -8.986 1.00 0.00 H new ATOM 1178 N GLY A 448 11.074 5.667 -3.664 1.00 0.00 N ATOM 1179 CA GLY A 448 11.963 4.800 -2.915 1.00 0.00 C ATOM 1180 C GLY A 448 11.264 3.552 -2.413 1.00 0.00 C ATOM 1181 O GLY A 448 11.901 2.659 -1.853 1.00 0.00 O ATOM 0 H GLY A 448 10.314 6.074 -3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 448 12.804 4.513 -3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 448 12.373 5.349 -2.068 1.00 0.00 H new ATOM 1185 N LEU A 449 9.950 3.492 -2.611 1.00 0.00 N ATOM 1186 CA LEU A 449 9.162 2.344 -2.175 1.00 0.00 C ATOM 1187 C LEU A 449 8.711 1.504 -3.368 1.00 0.00 C ATOM 1188 O LEU A 449 8.082 0.459 -3.200 1.00 0.00 O ATOM 1189 CB LEU A 449 7.940 2.808 -1.376 1.00 0.00 C ATOM 1190 CG LEU A 449 8.250 3.530 -0.060 1.00 0.00 C ATOM 1191 CD1 LEU A 449 6.971 4.054 0.574 1.00 0.00 C ATOM 1192 CD2 LEU A 449 8.980 2.603 0.901 1.00 0.00 C ATOM 0 H LEU A 449 9.409 4.225 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 449 9.794 1.727 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 449 7.347 3.473 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 449 7.319 1.939 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 449 8.899 4.378 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 449 7.210 4.564 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 449 6.487 4.753 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 449 6.298 3.221 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 449 9.191 3.134 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 449 8.356 1.735 1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 449 9.916 2.275 0.450 1.00 0.00 H new ATOM 1204 N THR A 450 9.036 1.967 -4.573 1.00 0.00 N ATOM 1205 CA THR A 450 8.661 1.259 -5.793 1.00 0.00 C ATOM 1206 C THR A 450 9.674 0.166 -6.134 1.00 0.00 C ATOM 1207 O THR A 450 10.832 0.452 -6.435 1.00 0.00 O ATOM 1208 CB THR A 450 8.540 2.224 -6.991 1.00 0.00 C ATOM 1209 OG1 THR A 450 7.486 3.166 -6.757 1.00 0.00 O ATOM 1210 CG2 THR A 450 8.263 1.461 -8.280 1.00 0.00 C ATOM 0 H THR A 450 9.558 2.829 -4.730 1.00 0.00 H new ATOM 0 HA THR A 450 7.690 0.802 -5.604 1.00 0.00 H new ATOM 0 HB THR A 450 9.487 2.753 -7.097 1.00 0.00 H new ATOM 0 HG1 THR A 450 7.849 3.960 -6.311 1.00 0.00 H new ATOM 0 HG21 THR A 450 8.182 2.164 -9.109 1.00 0.00 H new ATOM 0 HG22 THR A 450 9.079 0.765 -8.473 1.00 0.00 H new ATOM 0 HG23 THR A 450 7.329 0.907 -8.182 1.00 0.00 H new ATOM 1218 N GLY A 451 9.225 -1.086 -6.083 1.00 0.00 N ATOM 1219 CA GLY A 451 10.098 -2.203 -6.396 1.00 0.00 C ATOM 1220 C GLY A 451 10.984 -2.597 -5.231 1.00 0.00 C ATOM 1221 O GLY A 451 12.104 -3.071 -5.426 1.00 0.00 O ATOM 0 H GLY A 451 8.272 -1.346 -5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 451 9.493 -3.060 -6.693 1.00 0.00 H new ATOM 0 HA3 GLY A 451 10.723 -1.942 -7.250 1.00 0.00 H new ATOM 1225 N ARG A 452 10.483 -2.397 -4.017 1.00 0.00 N ATOM 1226 CA ARG A 452 11.234 -2.738 -2.816 1.00 0.00 C ATOM 1227 C ARG A 452 10.544 -3.859 -2.049 1.00 0.00 C ATOM 1228 O ARG A 452 9.744 -3.605 -1.149 1.00 0.00 O ATOM 1229 CB ARG A 452 11.394 -1.508 -1.920 1.00 0.00 C ATOM 1230 CG ARG A 452 12.354 -0.470 -2.476 1.00 0.00 C ATOM 1231 CD ARG A 452 13.796 -0.950 -2.413 1.00 0.00 C ATOM 1232 NE ARG A 452 14.155 -1.434 -1.082 1.00 0.00 N ATOM 1233 CZ ARG A 452 15.034 -0.827 -0.289 1.00 0.00 C ATOM 1234 NH1 ARG A 452 15.637 0.285 -0.689 1.00 0.00 N ATOM 1235 NH2 ARG A 452 15.310 -1.333 0.905 1.00 0.00 N ATOM 0 H ARG A 452 9.560 -2.001 -3.839 1.00 0.00 H new ATOM 0 HA ARG A 452 12.222 -3.084 -3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 452 10.418 -1.046 -1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 452 11.746 -1.827 -0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 452 12.090 -0.246 -3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 452 12.254 0.458 -1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 452 13.945 -1.748 -3.141 1.00 0.00 H new ATOM 0 HD3 ARG A 452 14.462 -0.134 -2.694 1.00 0.00 H new ATOM 0 HE ARG A 452 13.707 -2.285 -0.742 1.00 0.00 H new ATOM 0 HH11 ARG A 452 15.427 0.677 -1.607 1.00 0.00 H new ATOM 0 HH12 ARG A 452 16.310 0.748 -0.079 1.00 0.00 H new ATOM 0 HH21 ARG A 452 14.848 -2.188 1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 452 15.984 -0.867 1.513 1.00 0.00 H new ATOM 1249 N LYS A 453 10.860 -5.097 -2.428 1.00 0.00 N ATOM 1250 CA LYS A 453 10.287 -6.286 -1.797 1.00 0.00 C ATOM 1251 C LYS A 453 10.065 -6.084 -0.301 1.00 0.00 C ATOM 1252 O LYS A 453 11.011 -5.857 0.452 1.00 0.00 O ATOM 1253 CB LYS A 453 11.203 -7.490 -2.024 1.00 0.00 C ATOM 1254 CG LYS A 453 10.784 -8.364 -3.194 1.00 0.00 C ATOM 1255 CD LYS A 453 11.938 -8.603 -4.152 1.00 0.00 C ATOM 1256 CE LYS A 453 11.445 -8.827 -5.572 1.00 0.00 C ATOM 1257 NZ LYS A 453 12.412 -8.315 -6.583 1.00 0.00 N ATOM 0 H LYS A 453 11.519 -5.304 -3.179 1.00 0.00 H new ATOM 0 HA LYS A 453 9.316 -6.468 -2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 453 12.220 -7.135 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 453 11.223 -8.096 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 453 10.415 -9.320 -2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 453 9.960 -7.890 -3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 453 12.613 -7.748 -4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 453 12.511 -9.470 -3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 453 11.279 -9.892 -5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 453 10.484 -8.331 -5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 12.039 -8.487 -7.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 12.551 -7.294 -6.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 13.322 -8.807 -6.473 1.00 0.00 H new ATOM 1271 N PHE A 454 8.807 -6.170 0.120 1.00 0.00 N ATOM 1272 CA PHE A 454 8.454 -6.000 1.526 1.00 0.00 C ATOM 1273 C PHE A 454 8.770 -7.264 2.317 1.00 0.00 C ATOM 1274 O PHE A 454 9.195 -7.198 3.470 1.00 0.00 O ATOM 1275 CB PHE A 454 6.970 -5.654 1.660 1.00 0.00 C ATOM 1276 CG PHE A 454 6.555 -5.303 3.061 1.00 0.00 C ATOM 1277 CD1 PHE A 454 6.908 -4.084 3.618 1.00 0.00 C ATOM 1278 CD2 PHE A 454 5.810 -6.192 3.819 1.00 0.00 C ATOM 1279 CE1 PHE A 454 6.525 -3.759 4.906 1.00 0.00 C ATOM 1280 CE2 PHE A 454 5.425 -5.873 5.108 1.00 0.00 C ATOM 1281 CZ PHE A 454 5.783 -4.653 5.651 1.00 0.00 C ATOM 0 H PHE A 454 8.014 -6.357 -0.493 1.00 0.00 H new ATOM 0 HA PHE A 454 9.047 -5.181 1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 454 6.741 -4.816 1.002 1.00 0.00 H new ATOM 0 HB3 PHE A 454 6.376 -6.501 1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 454 7.488 -3.380 3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 454 5.527 -7.145 3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 454 6.806 -2.806 5.329 1.00 0.00 H new ATOM 0 HE2 PHE A 454 4.846 -6.575 5.689 1.00 0.00 H new ATOM 0 HZ PHE A 454 5.482 -4.400 6.657 1.00 0.00 H new ATOM 1291 N ALA A 455 8.559 -8.416 1.686 1.00 0.00 N ATOM 1292 CA ALA A 455 8.821 -9.700 2.325 1.00 0.00 C ATOM 1293 C ALA A 455 9.011 -10.800 1.284 1.00 0.00 C ATOM 1294 O ALA A 455 8.186 -11.706 1.167 1.00 0.00 O ATOM 1295 CB ALA A 455 7.689 -10.057 3.276 1.00 0.00 C ATOM 0 H ALA A 455 8.207 -8.485 0.731 1.00 0.00 H new ATOM 0 HA ALA A 455 9.745 -9.614 2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 455 7.898 -11.018 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 455 7.603 -9.288 4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 455 6.753 -10.121 2.720 1.00 0.00 H new ATOM 1301 N ASN A 456 10.105 -10.709 0.531 1.00 0.00 N ATOM 1302 CA ASN A 456 10.414 -11.691 -0.505 1.00 0.00 C ATOM 1303 C ASN A 456 9.318 -11.731 -1.568 1.00 0.00 C ATOM 1304 O ASN A 456 9.055 -12.775 -2.164 1.00 0.00 O ATOM 1305 CB ASN A 456 10.600 -13.080 0.112 1.00 0.00 C ATOM 1306 CG ASN A 456 12.040 -13.351 0.499 1.00 0.00 C ATOM 1307 OD1 ASN A 456 12.545 -12.806 1.480 1.00 0.00 O ATOM 1308 ND2 ASN A 456 12.711 -14.198 -0.275 1.00 0.00 N ATOM 0 H ASN A 456 10.794 -9.962 0.620 1.00 0.00 H new ATOM 0 HA ASN A 456 11.345 -11.390 -0.985 1.00 0.00 H new ATOM 0 HB2 ASN A 456 9.966 -13.171 0.994 1.00 0.00 H new ATOM 0 HB3 ASN A 456 10.269 -13.838 -0.598 1.00 0.00 H new ATOM 0 HD21 ASN A 456 13.684 -14.419 -0.065 1.00 0.00 H new ATOM 0 HD22 ASN A 456 12.252 -14.627 -1.079 1.00 0.00 H new ATOM 1315 N ARG A 457 8.687 -10.585 -1.801 1.00 0.00 N ATOM 1316 CA ARG A 457 7.622 -10.484 -2.795 1.00 0.00 C ATOM 1317 C ARG A 457 7.597 -9.091 -3.414 1.00 0.00 C ATOM 1318 O ARG A 457 7.703 -8.087 -2.709 1.00 0.00 O ATOM 1319 CB ARG A 457 6.264 -10.803 -2.163 1.00 0.00 C ATOM 1320 CG ARG A 457 6.159 -10.410 -0.697 1.00 0.00 C ATOM 1321 CD ARG A 457 5.091 -9.352 -0.481 1.00 0.00 C ATOM 1322 NE ARG A 457 4.890 -9.058 0.937 1.00 0.00 N ATOM 1323 CZ ARG A 457 4.025 -9.709 1.710 1.00 0.00 C ATOM 1324 NH1 ARG A 457 3.291 -10.694 1.210 1.00 0.00 N ATOM 1325 NH2 ARG A 457 3.896 -9.375 2.987 1.00 0.00 N ATOM 0 H ARG A 457 8.894 -9.712 -1.315 1.00 0.00 H new ATOM 0 HA ARG A 457 7.821 -11.212 -3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 457 5.483 -10.289 -2.724 1.00 0.00 H new ATOM 0 HB3 ARG A 457 6.072 -11.872 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 457 5.927 -11.291 -0.099 1.00 0.00 H new ATOM 0 HG3 ARG A 457 7.121 -10.034 -0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 457 5.375 -8.439 -1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 457 4.152 -9.691 -0.918 1.00 0.00 H new ATOM 0 HE ARG A 457 5.444 -8.312 1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 457 3.388 -10.955 0.229 1.00 0.00 H new ATOM 0 HH12 ARG A 457 2.629 -11.190 1.807 1.00 0.00 H new ATOM 0 HH21 ARG A 457 4.460 -8.619 3.376 1.00 0.00 H new ATOM 0 HH22 ARG A 457 3.233 -9.874 3.580 1.00 0.00 H new ATOM 1339 N VAL A 458 7.458 -9.038 -4.738 1.00 0.00 N ATOM 1340 CA VAL A 458 7.425 -7.769 -5.457 1.00 0.00 C ATOM 1341 C VAL A 458 6.388 -6.823 -4.855 1.00 0.00 C ATOM 1342 O VAL A 458 5.309 -7.248 -4.443 1.00 0.00 O ATOM 1343 CB VAL A 458 7.152 -7.987 -6.966 1.00 0.00 C ATOM 1344 CG1 VAL A 458 5.959 -7.170 -7.451 1.00 0.00 C ATOM 1345 CG2 VAL A 458 8.393 -7.652 -7.779 1.00 0.00 C ATOM 0 H VAL A 458 7.366 -9.861 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 458 8.407 -7.308 -5.354 1.00 0.00 H new ATOM 0 HB VAL A 458 6.906 -9.039 -7.109 1.00 0.00 H new ATOM 0 HG11 VAL A 458 5.802 -7.352 -8.514 1.00 0.00 H new ATOM 0 HG12 VAL A 458 5.067 -7.464 -6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 458 6.154 -6.110 -7.289 1.00 0.00 H new ATOM 0 HG21 VAL A 458 8.188 -7.809 -8.838 1.00 0.00 H new ATOM 0 HG22 VAL A 458 8.666 -6.610 -7.613 1.00 0.00 H new ATOM 0 HG23 VAL A 458 9.216 -8.296 -7.469 1.00 0.00 H new ATOM 1355 N VAL A 459 6.732 -5.540 -4.808 1.00 0.00 N ATOM 1356 CA VAL A 459 5.843 -4.529 -4.253 1.00 0.00 C ATOM 1357 C VAL A 459 5.344 -3.576 -5.333 1.00 0.00 C ATOM 1358 O VAL A 459 6.133 -3.005 -6.085 1.00 0.00 O ATOM 1359 CB VAL A 459 6.546 -3.718 -3.150 1.00 0.00 C ATOM 1360 CG1 VAL A 459 5.586 -2.731 -2.506 1.00 0.00 C ATOM 1361 CG2 VAL A 459 7.138 -4.649 -2.107 1.00 0.00 C ATOM 0 H VAL A 459 7.622 -5.177 -5.149 1.00 0.00 H new ATOM 0 HA VAL A 459 4.991 -5.056 -3.824 1.00 0.00 H new ATOM 0 HB VAL A 459 7.356 -3.149 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 459 6.107 -2.170 -1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 459 5.211 -2.041 -3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 459 4.750 -3.273 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 459 7.632 -4.061 -1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 459 6.343 -5.245 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 459 7.864 -5.310 -2.580 1.00 0.00 H new ATOM 1371 N VAL A 460 4.028 -3.412 -5.399 1.00 0.00 N ATOM 1372 CA VAL A 460 3.418 -2.525 -6.381 1.00 0.00 C ATOM 1373 C VAL A 460 2.832 -1.285 -5.705 1.00 0.00 C ATOM 1374 O VAL A 460 1.767 -1.343 -5.088 1.00 0.00 O ATOM 1375 CB VAL A 460 2.317 -3.251 -7.184 1.00 0.00 C ATOM 1376 CG1 VAL A 460 1.426 -4.058 -6.257 1.00 0.00 C ATOM 1377 CG2 VAL A 460 1.498 -2.263 -8.002 1.00 0.00 C ATOM 0 H VAL A 460 3.363 -3.882 -4.784 1.00 0.00 H new ATOM 0 HA VAL A 460 4.203 -2.215 -7.071 1.00 0.00 H new ATOM 0 HB VAL A 460 2.799 -3.939 -7.878 1.00 0.00 H new ATOM 0 HG11 VAL A 460 0.656 -4.563 -6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 460 2.026 -4.800 -5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 460 0.955 -3.392 -5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 460 0.730 -2.800 -8.558 1.00 0.00 H new ATOM 0 HG22 VAL A 460 1.026 -1.542 -7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 460 2.151 -1.739 -8.700 1.00 0.00 H new ATOM 1387 N THR A 461 3.539 -0.166 -5.825 1.00 0.00 N ATOM 1388 CA THR A 461 3.097 1.089 -5.227 1.00 0.00 C ATOM 1389 C THR A 461 2.346 1.949 -6.238 1.00 0.00 C ATOM 1390 O THR A 461 2.622 1.896 -7.437 1.00 0.00 O ATOM 1391 CB THR A 461 4.287 1.894 -4.671 1.00 0.00 C ATOM 1392 OG1 THR A 461 5.400 1.804 -5.568 1.00 0.00 O ATOM 1393 CG2 THR A 461 4.692 1.381 -3.298 1.00 0.00 C ATOM 0 H THR A 461 4.422 -0.103 -6.332 1.00 0.00 H new ATOM 0 HA THR A 461 2.426 0.829 -4.408 1.00 0.00 H new ATOM 0 HB THR A 461 3.981 2.936 -4.576 1.00 0.00 H new ATOM 0 HG1 THR A 461 5.830 2.681 -5.645 1.00 0.00 H new ATOM 0 HG21 THR A 461 5.534 1.964 -2.925 1.00 0.00 H new ATOM 0 HG22 THR A 461 3.851 1.478 -2.611 1.00 0.00 H new ATOM 0 HG23 THR A 461 4.981 0.333 -3.372 1.00 0.00 H new ATOM 1401 N LYS A 462 1.399 2.741 -5.745 1.00 0.00 N ATOM 1402 CA LYS A 462 0.606 3.613 -6.606 1.00 0.00 C ATOM 1403 C LYS A 462 0.155 4.862 -5.852 1.00 0.00 C ATOM 1404 O LYS A 462 -0.026 4.833 -4.636 1.00 0.00 O ATOM 1405 CB LYS A 462 -0.615 2.862 -7.138 1.00 0.00 C ATOM 1406 CG LYS A 462 -0.370 2.160 -8.464 1.00 0.00 C ATOM 1407 CD LYS A 462 -0.684 3.068 -9.642 1.00 0.00 C ATOM 1408 CE LYS A 462 -1.937 2.617 -10.375 1.00 0.00 C ATOM 1409 NZ LYS A 462 -3.086 2.429 -9.447 1.00 0.00 N ATOM 0 H LYS A 462 1.162 2.797 -4.755 1.00 0.00 H new ATOM 0 HA LYS A 462 1.233 3.921 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 462 -0.928 2.124 -6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 462 -1.440 3.565 -7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 462 0.670 1.837 -8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 462 -0.986 1.262 -8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 462 -0.816 4.091 -9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 462 0.160 3.075 -10.332 1.00 0.00 H new ATOM 0 HE2 LYS A 462 -2.200 3.355 -11.133 1.00 0.00 H new ATOM 0 HE3 LYS A 462 -1.735 1.682 -10.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 -3.977 2.558 -9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 -3.055 1.470 -9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 -3.029 3.127 -8.678 1.00 0.00 H new ATOM 1423 N TYR A 463 -0.023 5.955 -6.585 1.00 0.00 N ATOM 1424 CA TYR A 463 -0.460 7.214 -5.990 1.00 0.00 C ATOM 1425 C TYR A 463 -1.975 7.224 -5.810 1.00 0.00 C ATOM 1426 O TYR A 463 -2.719 6.903 -6.738 1.00 0.00 O ATOM 1427 CB TYR A 463 -0.027 8.393 -6.870 1.00 0.00 C ATOM 1428 CG TYR A 463 0.907 9.371 -6.186 1.00 0.00 C ATOM 1429 CD1 TYR A 463 1.912 8.928 -5.332 1.00 0.00 C ATOM 1430 CD2 TYR A 463 0.784 10.742 -6.396 1.00 0.00 C ATOM 1431 CE1 TYR A 463 2.765 9.820 -4.709 1.00 0.00 C ATOM 1432 CE2 TYR A 463 1.634 11.637 -5.777 1.00 0.00 C ATOM 1433 CZ TYR A 463 2.620 11.172 -4.935 1.00 0.00 C ATOM 1434 OH TYR A 463 3.467 12.062 -4.316 1.00 0.00 O ATOM 0 H TYR A 463 0.128 5.996 -7.593 1.00 0.00 H new ATOM 0 HA TYR A 463 0.007 7.313 -5.010 1.00 0.00 H new ATOM 0 HB2 TYR A 463 0.463 8.004 -7.763 1.00 0.00 H new ATOM 0 HB3 TYR A 463 -0.916 8.929 -7.202 1.00 0.00 H new ATOM 0 HD1 TYR A 463 2.028 7.869 -5.153 1.00 0.00 H new ATOM 0 HD2 TYR A 463 0.011 11.111 -7.054 1.00 0.00 H new ATOM 0 HE1 TYR A 463 3.540 9.460 -4.049 1.00 0.00 H new ATOM 0 HE2 TYR A 463 1.526 12.697 -5.952 1.00 0.00 H new ATOM 0 HH TYR A 463 3.232 12.976 -4.581 1.00 0.00 H new ATOM 1444 N CYS A 464 -2.429 7.594 -4.616 1.00 0.00 N ATOM 1445 CA CYS A 464 -3.860 7.635 -4.327 1.00 0.00 C ATOM 1446 C CYS A 464 -4.270 8.977 -3.719 1.00 0.00 C ATOM 1447 O CYS A 464 -3.537 9.565 -2.908 1.00 0.00 O ATOM 1448 CB CYS A 464 -4.249 6.489 -3.391 1.00 0.00 C ATOM 1449 SG CYS A 464 -4.504 4.908 -4.230 1.00 0.00 S ATOM 0 H CYS A 464 -1.831 7.868 -3.837 1.00 0.00 H new ATOM 0 HA CYS A 464 -4.392 7.518 -5.271 1.00 0.00 H new ATOM 0 HB2 CYS A 464 -3.470 6.368 -2.639 1.00 0.00 H new ATOM 0 HB3 CYS A 464 -5.163 6.760 -2.862 1.00 0.00 H new ATOM 0 HG CYS A 464 -4.132 3.937 -3.449 1.00 0.00 H new ATOM 1455 N ASP A 465 -5.452 9.446 -4.121 1.00 0.00 N ATOM 1456 CA ASP A 465 -5.989 10.718 -3.648 1.00 0.00 C ATOM 1457 C ASP A 465 -6.771 10.548 -2.346 1.00 0.00 C ATOM 1458 O ASP A 465 -7.418 9.522 -2.131 1.00 0.00 O ATOM 1459 CB ASP A 465 -6.891 11.341 -4.716 1.00 0.00 C ATOM 1460 CG ASP A 465 -7.633 10.299 -5.530 1.00 0.00 C ATOM 1461 OD1 ASP A 465 -8.729 9.881 -5.101 1.00 0.00 O ATOM 1462 OD2 ASP A 465 -7.118 9.901 -6.596 1.00 0.00 O ATOM 0 H ASP A 465 -6.059 8.957 -4.779 1.00 0.00 H new ATOM 0 HA ASP A 465 -5.146 11.380 -3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 465 -7.612 12.004 -4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 465 -6.287 11.956 -5.383 1.00 0.00 H new ATOM 1467 N PRO A 466 -6.717 11.559 -1.456 1.00 0.00 N ATOM 1468 CA PRO A 466 -7.424 11.529 -0.171 1.00 0.00 C ATOM 1469 C PRO A 466 -8.932 11.370 -0.336 1.00 0.00 C ATOM 1470 O PRO A 466 -9.634 11.011 0.608 1.00 0.00 O ATOM 1471 CB PRO A 466 -7.103 12.890 0.462 1.00 0.00 C ATOM 1472 CG PRO A 466 -6.611 13.737 -0.655 1.00 0.00 C ATOM 1473 CD PRO A 466 -5.950 12.801 -1.621 1.00 0.00 C ATOM 0 HA PRO A 466 -7.109 10.679 0.434 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -7.988 13.326 0.926 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -6.349 12.792 1.243 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -7.433 14.272 -1.130 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -5.907 14.488 -0.295 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -6.002 13.174 -2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -4.895 12.658 -1.387 1.00 0.00 H new ATOM 1481 N ASP A 467 -9.423 11.645 -1.541 1.00 0.00 N ATOM 1482 CA ASP A 467 -10.850 11.537 -1.830 1.00 0.00 C ATOM 1483 C ASP A 467 -11.359 10.122 -1.572 1.00 0.00 C ATOM 1484 O ASP A 467 -11.929 9.841 -0.516 1.00 0.00 O ATOM 1485 CB ASP A 467 -11.127 11.939 -3.281 1.00 0.00 C ATOM 1486 CG ASP A 467 -11.358 13.429 -3.435 1.00 0.00 C ATOM 1487 OD1 ASP A 467 -12.123 13.998 -2.628 1.00 0.00 O ATOM 1488 OD2 ASP A 467 -10.773 14.027 -4.361 1.00 0.00 O ATOM 0 H ASP A 467 -8.854 11.944 -2.333 1.00 0.00 H new ATOM 0 HA ASP A 467 -11.382 12.216 -1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 467 -10.285 11.638 -3.905 1.00 0.00 H new ATOM 0 HB3 ASP A 467 -12.002 11.399 -3.644 1.00 0.00 H new ATOM 1493 N SER A 468 -11.149 9.236 -2.541 1.00 0.00 N ATOM 1494 CA SER A 468 -11.590 7.850 -2.420 1.00 0.00 C ATOM 1495 C SER A 468 -11.018 7.204 -1.162 1.00 0.00 C ATOM 1496 O SER A 468 -11.666 6.366 -0.532 1.00 0.00 O ATOM 1497 CB SER A 468 -11.176 7.049 -3.654 1.00 0.00 C ATOM 1498 OG SER A 468 -11.602 7.688 -4.844 1.00 0.00 O ATOM 0 H SER A 468 -10.676 9.453 -3.418 1.00 0.00 H new ATOM 0 HA SER A 468 -12.677 7.848 -2.345 1.00 0.00 H new ATOM 0 HB2 SER A 468 -10.092 6.932 -3.668 1.00 0.00 H new ATOM 0 HB3 SER A 468 -11.604 6.048 -3.602 1.00 0.00 H new ATOM 0 HG SER A 468 -11.323 7.156 -5.619 1.00 0.00 H new ATOM 1504 N TYR A 469 -9.799 7.599 -0.802 1.00 0.00 N ATOM 1505 CA TYR A 469 -9.144 7.064 0.380 1.00 0.00 C ATOM 1506 C TYR A 469 -10.045 7.223 1.600 1.00 0.00 C ATOM 1507 O TYR A 469 -10.276 6.269 2.343 1.00 0.00 O ATOM 1508 CB TYR A 469 -7.806 7.776 0.610 1.00 0.00 C ATOM 1509 CG TYR A 469 -7.367 7.782 2.056 1.00 0.00 C ATOM 1510 CD1 TYR A 469 -6.653 6.720 2.585 1.00 0.00 C ATOM 1511 CD2 TYR A 469 -7.682 8.845 2.891 1.00 0.00 C ATOM 1512 CE1 TYR A 469 -6.261 6.714 3.908 1.00 0.00 C ATOM 1513 CE2 TYR A 469 -7.296 8.848 4.214 1.00 0.00 C ATOM 1514 CZ TYR A 469 -6.585 7.780 4.720 1.00 0.00 C ATOM 1515 OH TYR A 469 -6.199 7.778 6.041 1.00 0.00 O ATOM 0 H TYR A 469 -9.248 8.288 -1.314 1.00 0.00 H new ATOM 0 HA TYR A 469 -8.953 6.002 0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 469 -7.038 7.292 0.007 1.00 0.00 H new ATOM 0 HB3 TYR A 469 -7.886 8.805 0.258 1.00 0.00 H new ATOM 0 HD1 TYR A 469 -6.399 5.883 1.952 1.00 0.00 H new ATOM 0 HD2 TYR A 469 -8.238 9.683 2.498 1.00 0.00 H new ATOM 0 HE1 TYR A 469 -5.703 5.879 4.305 1.00 0.00 H new ATOM 0 HE2 TYR A 469 -7.549 9.682 4.851 1.00 0.00 H new ATOM 0 HH TYR A 469 -6.088 8.701 6.351 1.00 0.00 H new ATOM 1525 N HIS A 470 -10.545 8.439 1.801 1.00 0.00 N ATOM 1526 CA HIS A 470 -11.429 8.723 2.923 1.00 0.00 C ATOM 1527 C HIS A 470 -12.698 7.887 2.813 1.00 0.00 C ATOM 1528 O HIS A 470 -13.241 7.429 3.818 1.00 0.00 O ATOM 1529 CB HIS A 470 -11.784 10.210 2.966 1.00 0.00 C ATOM 1530 CG HIS A 470 -11.324 10.897 4.215 1.00 0.00 C ATOM 1531 ND1 HIS A 470 -12.186 11.306 5.211 1.00 0.00 N ATOM 1532 CD2 HIS A 470 -10.083 11.246 4.629 1.00 0.00 C ATOM 1533 CE1 HIS A 470 -11.496 11.878 6.181 1.00 0.00 C ATOM 1534 NE2 HIS A 470 -10.217 11.853 5.852 1.00 0.00 N ATOM 0 H HIS A 470 -10.352 9.241 1.201 1.00 0.00 H new ATOM 0 HA HIS A 470 -10.910 8.464 3.846 1.00 0.00 H new ATOM 0 HB2 HIS A 470 -11.341 10.707 2.103 1.00 0.00 H new ATOM 0 HB3 HIS A 470 -12.865 10.320 2.877 1.00 0.00 H new ATOM 0 HD2 HIS A 470 -9.159 11.078 4.096 1.00 0.00 H new ATOM 0 HE1 HIS A 470 -11.907 12.295 7.088 1.00 0.00 H new ATOM 0 HE2 HIS A 470 -9.453 12.225 6.416 1.00 0.00 H new ATOM 1543 N ARG A 471 -13.161 7.692 1.582 1.00 0.00 N ATOM 1544 CA ARG A 471 -14.359 6.899 1.336 1.00 0.00 C ATOM 1545 C ARG A 471 -14.058 5.417 1.526 1.00 0.00 C ATOM 1546 O ARG A 471 -14.963 4.582 1.500 1.00 0.00 O ATOM 1547 CB ARG A 471 -14.888 7.146 -0.078 1.00 0.00 C ATOM 1548 CG ARG A 471 -14.801 8.597 -0.515 1.00 0.00 C ATOM 1549 CD ARG A 471 -15.928 8.962 -1.468 1.00 0.00 C ATOM 1550 NE ARG A 471 -15.447 9.703 -2.631 1.00 0.00 N ATOM 1551 CZ ARG A 471 -15.034 9.126 -3.756 1.00 0.00 C ATOM 1552 NH1 ARG A 471 -15.042 7.804 -3.870 1.00 0.00 N ATOM 1553 NH2 ARG A 471 -14.609 9.871 -4.768 1.00 0.00 N ATOM 0 H ARG A 471 -12.725 8.072 0.741 1.00 0.00 H new ATOM 0 HA ARG A 471 -15.123 7.202 2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -14.326 6.530 -0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -15.927 6.821 -0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -14.840 9.245 0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -13.841 8.775 -1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -16.430 8.053 -1.800 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -16.670 9.560 -0.939 1.00 0.00 H new ATOM 0 HE ARG A 471 -15.427 10.721 -2.577 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -15.366 7.227 -3.094 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -14.725 7.365 -4.734 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -14.599 10.887 -4.684 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -14.293 9.427 -5.630 1.00 0.00 H new ATOM 1567 N ARG A 472 -12.777 5.101 1.710 1.00 0.00 N ATOM 1568 CA ARG A 472 -12.341 3.722 1.906 1.00 0.00 C ATOM 1569 C ARG A 472 -12.695 2.863 0.696 1.00 0.00 C ATOM 1570 O ARG A 472 -12.698 1.635 0.775 1.00 0.00 O ATOM 1571 CB ARG A 472 -12.969 3.130 3.170 1.00 0.00 C ATOM 1572 CG ARG A 472 -12.912 4.057 4.373 1.00 0.00 C ATOM 1573 CD ARG A 472 -11.486 4.236 4.871 1.00 0.00 C ATOM 1574 NE ARG A 472 -11.440 4.577 6.290 1.00 0.00 N ATOM 1575 CZ ARG A 472 -10.485 5.323 6.838 1.00 0.00 C ATOM 1576 NH1 ARG A 472 -9.504 5.806 6.087 1.00 0.00 N ATOM 1577 NH2 ARG A 472 -10.510 5.586 8.136 1.00 0.00 N ATOM 0 H ARG A 472 -12.021 5.786 1.727 1.00 0.00 H new ATOM 0 HA ARG A 472 -11.257 3.728 2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 472 -14.010 2.879 2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 472 -12.459 2.198 3.416 1.00 0.00 H new ATOM 0 HG2 ARG A 472 -13.330 5.028 4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 472 -13.531 3.653 5.175 1.00 0.00 H new ATOM 0 HD2 ARG A 472 -10.925 3.317 4.701 1.00 0.00 H new ATOM 0 HD3 ARG A 472 -10.996 5.020 4.294 1.00 0.00 H new ATOM 0 HE ARG A 472 -12.182 4.223 6.895 1.00 0.00 H new ATOM 0 HH11 ARG A 472 -9.481 5.606 5.087 1.00 0.00 H new ATOM 0 HH12 ARG A 472 -8.773 6.378 6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 472 -11.262 5.216 8.717 1.00 0.00 H new ATOM 0 HH22 ARG A 472 -9.777 6.158 8.555 1.00 0.00 H new ATOM 1591 N ASP A 473 -12.992 3.520 -0.421 1.00 0.00 N ATOM 1592 CA ASP A 473 -13.340 2.816 -1.650 1.00 0.00 C ATOM 1593 C ASP A 473 -12.120 2.097 -2.212 1.00 0.00 C ATOM 1594 O ASP A 473 -12.224 1.330 -3.170 1.00 0.00 O ATOM 1595 CB ASP A 473 -13.897 3.794 -2.686 1.00 0.00 C ATOM 1596 CG ASP A 473 -15.332 3.480 -3.060 1.00 0.00 C ATOM 1597 OD1 ASP A 473 -15.617 2.311 -3.396 1.00 0.00 O ATOM 1598 OD2 ASP A 473 -16.172 4.403 -3.018 1.00 0.00 O ATOM 0 H ASP A 473 -12.999 4.537 -0.500 1.00 0.00 H new ATOM 0 HA ASP A 473 -14.107 2.077 -1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -13.840 4.809 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -13.276 3.765 -3.581 1.00 0.00 H new ATOM 1823 N TRP B 22 11.887 -4.541 3.496 1.00 0.00 N ATOM 1824 CA TRP B 22 12.541 -3.914 2.352 1.00 0.00 C ATOM 1825 C TRP B 22 13.871 -4.596 2.034 1.00 0.00 C ATOM 1826 O TRP B 22 14.919 -4.209 2.552 1.00 0.00 O ATOM 1827 CB TRP B 22 12.766 -2.424 2.617 1.00 0.00 C ATOM 1828 CG TRP B 22 11.570 -1.738 3.204 1.00 0.00 C ATOM 1829 CD1 TRP B 22 11.425 -1.299 4.488 1.00 0.00 C ATOM 1830 CD2 TRP B 22 10.350 -1.414 2.528 1.00 0.00 C ATOM 1831 NE1 TRP B 22 10.190 -0.721 4.652 1.00 0.00 N ATOM 1832 CE2 TRP B 22 9.511 -0.778 3.463 1.00 0.00 C ATOM 1833 CE3 TRP B 22 9.885 -1.598 1.224 1.00 0.00 C ATOM 1834 CZ2 TRP B 22 8.235 -0.325 3.132 1.00 0.00 C ATOM 1835 CZ3 TRP B 22 8.619 -1.150 0.897 1.00 0.00 C ATOM 1836 CH2 TRP B 22 7.808 -0.519 1.847 1.00 0.00 C ATOM 0 HA TRP B 22 11.885 -4.027 1.489 1.00 0.00 H new ATOM 0 HB2 TRP B 22 13.612 -2.306 3.294 1.00 0.00 H new ATOM 0 HB3 TRP B 22 13.035 -1.933 1.682 1.00 0.00 H new ATOM 0 HD1 TRP B 22 12.172 -1.392 5.262 1.00 0.00 H new ATOM 0 HE1 TRP B 22 9.836 -0.315 5.518 1.00 0.00 H new ATOM 0 HE3 TRP B 22 10.504 -2.082 0.483 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 7.606 0.161 3.863 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 8.250 -1.289 -0.108 1.00 0.00 H new ATOM 0 HH2 TRP B 22 6.824 -0.178 1.560 1.00 0.00 H new ATOM 1847 N ASN B 23 13.817 -5.611 1.177 1.00 0.00 N ATOM 1848 CA ASN B 23 15.012 -6.351 0.787 1.00 0.00 C ATOM 1849 C ASN B 23 15.620 -5.769 -0.486 1.00 0.00 C ATOM 1850 O ASN B 23 15.154 -4.750 -0.997 1.00 0.00 O ATOM 1851 CB ASN B 23 14.675 -7.828 0.575 1.00 0.00 C ATOM 1852 CG ASN B 23 14.891 -8.657 1.827 1.00 0.00 C ATOM 1853 OD1 ASN B 23 14.120 -8.573 2.782 1.00 0.00 O ATOM 1854 ND2 ASN B 23 15.947 -9.464 1.827 1.00 0.00 N ATOM 0 H ASN B 23 12.957 -5.940 0.739 1.00 0.00 H new ATOM 0 HA ASN B 23 15.743 -6.263 1.591 1.00 0.00 H new ATOM 0 HB2 ASN B 23 13.636 -7.919 0.257 1.00 0.00 H new ATOM 0 HB3 ASN B 23 15.291 -8.226 -0.232 1.00 0.00 H new ATOM 0 HD21 ASN B 23 16.144 -10.046 2.641 1.00 0.00 H new ATOM 0 HD22 ASN B 23 16.560 -9.502 1.013 1.00 0.00 H new