USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=20 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 446 MET CE :methyl -116:sc= -0.079 (180deg=-1.18) USER MOD Set 1.2: A 450 THR OG1 : rot 92:sc= 2.28 USER MOD Set 1.3: A 461 THR OG1 : rot -173:sc= 1.19 USER MOD Set 2.1: A 437 THR OG1 : rot -86:sc= 0.42 USER MOD Set 2.2: A 438 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 379 CYS SG : rot 180:sc= -1.22 USER MOD Set 3.2: A 464 CYS SG : rot 151:sc= -1.35 USER MOD Single : A 375 THR OG1 : rot 58:sc= -2.59! USER MOD Single : A 381 MET CE :methyl 166:sc=-0.00451 (180deg=-0.287) USER MOD Single : A 382 ASN : amide:sc= -0.263 K(o=-0.26,f=-1.7!) USER MOD Single : A 383 MET CE :methyl -136:sc= -0.712 (180deg=-1.44) USER MOD Single : A 395 TYR OH : rot 21:sc= 1.05 USER MOD Single : A 406 CYS SG : rot 100:sc= -1.66 USER MOD Single : A 407 SER OG : rot -79:sc= 0.797 USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 414 SER OG : rot 180:sc= 0 USER MOD Single : A 429 CYS SG : rot 170:sc= -1.99 USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 CYS SG : rot 68:sc= -2.37! USER MOD Single : A 443 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.17) USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 447 GLN : amide:sc= 0 K(o=0,f=0.54) USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.1) USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 TYR OH : rot -170:sc= -1.31 USER MOD Single : A 468 SER OG : rot 180:sc= 0.0428 USER MOD Single : A 469 TYR OH : rot 30:sc= -0.464 USER MOD Single : A 470 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : B 23 ASN : amide:sc= -0.0619 K(o=-0.062,f=-1) USER MOD ----------------------------------------------------------------- ATOM 26 N PRO A 374 0.758 13.540 -9.123 1.00 0.00 N ATOM 27 CA PRO A 374 0.753 13.604 -7.665 1.00 0.00 C ATOM 28 C PRO A 374 -0.564 14.130 -7.109 1.00 0.00 C ATOM 29 O PRO A 374 -1.234 14.947 -7.742 1.00 0.00 O ATOM 30 CB PRO A 374 1.890 14.575 -7.378 1.00 0.00 C ATOM 31 CG PRO A 374 1.852 15.524 -8.515 1.00 0.00 C ATOM 32 CD PRO A 374 1.421 14.721 -9.717 1.00 0.00 C ATOM 0 HA PRO A 374 0.872 12.625 -7.201 1.00 0.00 H new ATOM 0 HB2 PRO A 374 1.746 15.087 -6.427 1.00 0.00 H new ATOM 0 HB3 PRO A 374 2.849 14.060 -7.321 1.00 0.00 H new ATOM 0 HG2 PRO A 374 1.154 16.338 -8.320 1.00 0.00 H new ATOM 0 HG3 PRO A 374 2.831 15.975 -8.679 1.00 0.00 H new ATOM 0 HD2 PRO A 374 0.740 15.286 -10.354 1.00 0.00 H new ATOM 0 HD3 PRO A 374 2.272 14.435 -10.335 1.00 0.00 H new ATOM 40 N THR A 375 -0.930 13.659 -5.921 1.00 0.00 N ATOM 41 CA THR A 375 -2.167 14.082 -5.281 1.00 0.00 C ATOM 42 C THR A 375 -1.943 14.405 -3.807 1.00 0.00 C ATOM 43 O THR A 375 -1.874 15.574 -3.430 1.00 0.00 O ATOM 44 CB THR A 375 -3.268 13.010 -5.408 1.00 0.00 C ATOM 45 OG1 THR A 375 -4.103 13.024 -4.247 1.00 0.00 O ATOM 46 CG2 THR A 375 -2.664 11.625 -5.587 1.00 0.00 C ATOM 0 H THR A 375 -0.386 12.984 -5.383 1.00 0.00 H new ATOM 0 HA THR A 375 -2.496 14.983 -5.798 1.00 0.00 H new ATOM 0 HB THR A 375 -3.866 13.243 -6.289 1.00 0.00 H new ATOM 0 HG1 THR A 375 -4.495 13.915 -4.137 1.00 0.00 H new ATOM 0 HG21 THR A 375 -3.463 10.888 -5.674 1.00 0.00 H new ATOM 0 HG22 THR A 375 -2.055 11.608 -6.491 1.00 0.00 H new ATOM 0 HG23 THR A 375 -2.042 11.385 -4.725 1.00 0.00 H new ATOM 54 N GLU A 376 -1.829 13.365 -2.977 1.00 0.00 N ATOM 55 CA GLU A 376 -1.609 13.552 -1.544 1.00 0.00 C ATOM 56 C GLU A 376 -1.477 12.215 -0.813 1.00 0.00 C ATOM 57 O GLU A 376 -0.565 12.030 -0.007 1.00 0.00 O ATOM 58 CB GLU A 376 -2.756 14.360 -0.930 1.00 0.00 C ATOM 59 CG GLU A 376 -2.428 14.932 0.439 1.00 0.00 C ATOM 60 CD GLU A 376 -1.520 16.143 0.363 1.00 0.00 C ATOM 61 OE1 GLU A 376 -2.039 17.266 0.196 1.00 0.00 O ATOM 62 OE2 GLU A 376 -0.287 15.969 0.472 1.00 0.00 O ATOM 0 H GLU A 376 -1.885 12.390 -3.272 1.00 0.00 H new ATOM 0 HA GLU A 376 -0.673 14.098 -1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -3.016 15.177 -1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.636 13.722 -0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.353 15.208 0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -1.951 14.162 1.045 1.00 0.00 H new ATOM 69 N VAL A 377 -2.389 11.289 -1.099 1.00 0.00 N ATOM 70 CA VAL A 377 -2.377 9.978 -0.453 1.00 0.00 C ATOM 71 C VAL A 377 -1.515 8.984 -1.230 1.00 0.00 C ATOM 72 O VAL A 377 -1.392 9.080 -2.451 1.00 0.00 O ATOM 73 CB VAL A 377 -3.808 9.419 -0.317 1.00 0.00 C ATOM 74 CG1 VAL A 377 -3.869 8.324 0.734 1.00 0.00 C ATOM 75 CG2 VAL A 377 -4.788 10.536 0.014 1.00 0.00 C ATOM 0 H VAL A 377 -3.144 11.421 -1.772 1.00 0.00 H new ATOM 0 HA VAL A 377 -1.949 10.112 0.540 1.00 0.00 H new ATOM 0 HB VAL A 377 -4.092 8.982 -1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 377 -4.889 7.948 0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 377 -3.202 7.510 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 377 -3.559 8.727 1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 377 -5.793 10.123 0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 377 -4.501 11.005 0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 377 -4.773 11.281 -0.782 1.00 0.00 H new ATOM 85 N LEU A 378 -0.918 8.032 -0.513 1.00 0.00 N ATOM 86 CA LEU A 378 -0.065 7.021 -1.134 1.00 0.00 C ATOM 87 C LEU A 378 -0.546 5.613 -0.791 1.00 0.00 C ATOM 88 O LEU A 378 -0.311 5.118 0.312 1.00 0.00 O ATOM 89 CB LEU A 378 1.385 7.201 -0.675 1.00 0.00 C ATOM 90 CG LEU A 378 2.449 6.720 -1.665 1.00 0.00 C ATOM 91 CD1 LEU A 378 3.693 7.590 -1.573 1.00 0.00 C ATOM 92 CD2 LEU A 378 2.802 5.264 -1.405 1.00 0.00 C ATOM 0 H LEU A 378 -1.010 7.940 0.499 1.00 0.00 H new ATOM 0 HA LEU A 378 -0.120 7.149 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 378 1.555 8.258 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 378 1.520 6.667 0.266 1.00 0.00 H new ATOM 0 HG LEU A 378 2.042 6.802 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 378 4.439 7.234 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 378 3.433 8.622 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 378 4.100 7.538 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 378 3.560 4.940 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 378 3.189 5.159 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 378 1.910 4.648 -1.518 1.00 0.00 H new ATOM 104 N CYS A 379 -1.218 4.971 -1.744 1.00 0.00 N ATOM 105 CA CYS A 379 -1.731 3.618 -1.543 1.00 0.00 C ATOM 106 C CYS A 379 -0.646 2.578 -1.803 1.00 0.00 C ATOM 107 O CYS A 379 0.305 2.831 -2.543 1.00 0.00 O ATOM 108 CB CYS A 379 -2.927 3.362 -2.462 1.00 0.00 C ATOM 109 SG CYS A 379 -4.076 2.109 -1.846 1.00 0.00 S ATOM 0 H CYS A 379 -1.420 5.366 -2.663 1.00 0.00 H new ATOM 0 HA CYS A 379 -2.052 3.530 -0.505 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -3.468 4.297 -2.605 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -2.560 3.053 -3.441 1.00 0.00 H new ATOM 0 HG CYS A 379 -5.054 1.965 -2.690 1.00 0.00 H new ATOM 115 N LEU A 380 -0.797 1.408 -1.189 1.00 0.00 N ATOM 116 CA LEU A 380 0.170 0.327 -1.351 1.00 0.00 C ATOM 117 C LEU A 380 -0.536 -1.014 -1.541 1.00 0.00 C ATOM 118 O LEU A 380 -1.412 -1.382 -0.759 1.00 0.00 O ATOM 119 CB LEU A 380 1.098 0.259 -0.136 1.00 0.00 C ATOM 120 CG LEU A 380 1.772 1.581 0.241 1.00 0.00 C ATOM 121 CD1 LEU A 380 2.133 1.592 1.719 1.00 0.00 C ATOM 122 CD2 LEU A 380 3.009 1.810 -0.613 1.00 0.00 C ATOM 0 H LEU A 380 -1.580 1.184 -0.575 1.00 0.00 H new ATOM 0 HA LEU A 380 0.762 0.535 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 380 0.525 -0.096 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 380 1.872 -0.483 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 380 1.069 2.393 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 380 2.611 2.539 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 380 1.228 1.473 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 380 2.818 0.772 1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 380 3.476 2.754 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 380 3.716 0.995 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 380 2.724 1.845 -1.664 1.00 0.00 H new ATOM 134 N MET A 381 -0.147 -1.739 -2.586 1.00 0.00 N ATOM 135 CA MET A 381 -0.741 -3.040 -2.878 1.00 0.00 C ATOM 136 C MET A 381 0.335 -4.114 -3.009 1.00 0.00 C ATOM 137 O MET A 381 1.495 -3.812 -3.295 1.00 0.00 O ATOM 138 CB MET A 381 -1.567 -2.970 -4.163 1.00 0.00 C ATOM 139 CG MET A 381 -2.696 -1.955 -4.105 1.00 0.00 C ATOM 140 SD MET A 381 -2.326 -0.453 -5.031 1.00 0.00 S ATOM 141 CE MET A 381 -3.493 -0.593 -6.383 1.00 0.00 C ATOM 0 H MET A 381 0.576 -1.448 -3.244 1.00 0.00 H new ATOM 0 HA MET A 381 -1.395 -3.307 -2.048 1.00 0.00 H new ATOM 0 HB2 MET A 381 -0.909 -2.722 -4.995 1.00 0.00 H new ATOM 0 HB3 MET A 381 -1.985 -3.955 -4.370 1.00 0.00 H new ATOM 0 HG2 MET A 381 -3.606 -2.406 -4.500 1.00 0.00 H new ATOM 0 HG3 MET A 381 -2.894 -1.697 -3.065 1.00 0.00 H new ATOM 0 HE1 MET A 381 -3.566 0.363 -6.901 1.00 0.00 H new ATOM 0 HE2 MET A 381 -3.152 -1.358 -7.080 1.00 0.00 H new ATOM 0 HE3 MET A 381 -4.472 -0.869 -5.991 1.00 0.00 H new ATOM 151 N ASN A 382 -0.059 -5.368 -2.797 1.00 0.00 N ATOM 152 CA ASN A 382 0.868 -6.492 -2.890 1.00 0.00 C ATOM 153 C ASN A 382 2.046 -6.307 -1.939 1.00 0.00 C ATOM 154 O ASN A 382 3.178 -6.676 -2.255 1.00 0.00 O ATOM 155 CB ASN A 382 1.372 -6.647 -4.327 1.00 0.00 C ATOM 156 CG ASN A 382 1.576 -8.098 -4.720 1.00 0.00 C ATOM 157 OD1 ASN A 382 0.898 -8.992 -4.215 1.00 0.00 O ATOM 158 ND2 ASN A 382 2.514 -8.336 -5.629 1.00 0.00 N ATOM 0 H ASN A 382 -1.016 -5.631 -2.559 1.00 0.00 H new ATOM 0 HA ASN A 382 0.333 -7.397 -2.602 1.00 0.00 H new ATOM 0 HB2 ASN A 382 0.658 -6.186 -5.010 1.00 0.00 H new ATOM 0 HB3 ASN A 382 2.313 -6.108 -4.438 1.00 0.00 H new ATOM 0 HD21 ASN A 382 2.696 -9.292 -5.935 1.00 0.00 H new ATOM 0 HD22 ASN A 382 3.052 -7.563 -6.021 1.00 0.00 H new ATOM 165 N MET A 383 1.771 -5.733 -0.771 1.00 0.00 N ATOM 166 CA MET A 383 2.804 -5.494 0.228 1.00 0.00 C ATOM 167 C MET A 383 2.391 -6.046 1.587 1.00 0.00 C ATOM 168 O MET A 383 3.083 -5.843 2.586 1.00 0.00 O ATOM 169 CB MET A 383 3.090 -3.995 0.340 1.00 0.00 C ATOM 170 CG MET A 383 4.524 -3.677 0.726 1.00 0.00 C ATOM 171 SD MET A 383 4.680 -3.163 2.446 1.00 0.00 S ATOM 172 CE MET A 383 3.905 -1.550 2.388 1.00 0.00 C ATOM 0 H MET A 383 0.839 -5.425 -0.494 1.00 0.00 H new ATOM 0 HA MET A 383 3.709 -6.011 -0.091 1.00 0.00 H new ATOM 0 HB2 MET A 383 2.865 -3.518 -0.614 1.00 0.00 H new ATOM 0 HB3 MET A 383 2.418 -3.560 1.080 1.00 0.00 H new ATOM 0 HG2 MET A 383 5.146 -4.556 0.555 1.00 0.00 H new ATOM 0 HG3 MET A 383 4.904 -2.887 0.078 1.00 0.00 H new ATOM 0 HE1 MET A 383 4.506 -0.837 2.953 1.00 0.00 H new ATOM 0 HE2 MET A 383 3.829 -1.220 1.352 1.00 0.00 H new ATOM 0 HE3 MET A 383 2.908 -1.610 2.824 1.00 0.00 H new ATOM 182 N VAL A 384 1.262 -6.748 1.622 1.00 0.00 N ATOM 183 CA VAL A 384 0.760 -7.323 2.865 1.00 0.00 C ATOM 184 C VAL A 384 -0.119 -8.541 2.603 1.00 0.00 C ATOM 185 O VAL A 384 -1.026 -8.499 1.772 1.00 0.00 O ATOM 186 CB VAL A 384 -0.048 -6.293 3.679 1.00 0.00 C ATOM 187 CG1 VAL A 384 0.836 -5.611 4.711 1.00 0.00 C ATOM 188 CG2 VAL A 384 -0.696 -5.268 2.759 1.00 0.00 C ATOM 0 H VAL A 384 0.679 -6.932 0.806 1.00 0.00 H new ATOM 0 HA VAL A 384 1.635 -7.628 3.439 1.00 0.00 H new ATOM 0 HB VAL A 384 -0.841 -6.822 4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 384 0.246 -4.888 5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 384 1.242 -6.358 5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 384 1.654 -5.097 4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 384 -1.261 -4.551 3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 384 0.077 -4.744 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 384 -1.368 -5.774 2.066 1.00 0.00 H new ATOM 198 N LEU A 385 0.158 -9.628 3.318 1.00 0.00 N ATOM 199 CA LEU A 385 -0.615 -10.857 3.176 1.00 0.00 C ATOM 200 C LEU A 385 -1.728 -10.903 4.219 1.00 0.00 C ATOM 201 O LEU A 385 -1.556 -10.410 5.334 1.00 0.00 O ATOM 202 CB LEU A 385 0.294 -12.081 3.329 1.00 0.00 C ATOM 203 CG LEU A 385 0.963 -12.567 2.042 1.00 0.00 C ATOM 204 CD1 LEU A 385 2.002 -13.634 2.350 1.00 0.00 C ATOM 205 CD2 LEU A 385 -0.076 -13.103 1.067 1.00 0.00 C ATOM 0 H LEU A 385 0.913 -9.682 4.002 1.00 0.00 H new ATOM 0 HA LEU A 385 -1.060 -10.872 2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 385 1.071 -11.846 4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -0.294 -12.899 3.744 1.00 0.00 H new ATOM 0 HG LEU A 385 1.466 -11.719 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 385 2.467 -13.967 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 385 2.764 -13.220 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 385 1.520 -14.481 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 385 0.420 -13.444 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -0.608 -13.937 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -0.785 -12.313 0.819 1.00 0.00 H new ATOM 217 N PRO A 386 -2.888 -11.499 3.880 1.00 0.00 N ATOM 218 CA PRO A 386 -4.020 -11.592 4.807 1.00 0.00 C ATOM 219 C PRO A 386 -3.678 -12.395 6.056 1.00 0.00 C ATOM 220 O PRO A 386 -4.044 -12.018 7.168 1.00 0.00 O ATOM 221 CB PRO A 386 -5.105 -12.303 3.993 1.00 0.00 C ATOM 222 CG PRO A 386 -4.375 -12.996 2.896 1.00 0.00 C ATOM 223 CD PRO A 386 -3.185 -12.135 2.585 1.00 0.00 C ATOM 0 HA PRO A 386 -4.325 -10.611 5.171 1.00 0.00 H new ATOM 0 HB2 PRO A 386 -5.658 -13.013 4.608 1.00 0.00 H new ATOM 0 HB3 PRO A 386 -5.830 -11.592 3.597 1.00 0.00 H new ATOM 0 HG2 PRO A 386 -4.065 -13.995 3.203 1.00 0.00 H new ATOM 0 HG3 PRO A 386 -5.011 -13.116 2.019 1.00 0.00 H new ATOM 0 HD2 PRO A 386 -2.343 -12.725 2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 386 -3.411 -11.397 1.815 1.00 0.00 H new ATOM 231 N GLU A 387 -2.967 -13.500 5.864 1.00 0.00 N ATOM 232 CA GLU A 387 -2.571 -14.360 6.975 1.00 0.00 C ATOM 233 C GLU A 387 -1.600 -13.636 7.902 1.00 0.00 C ATOM 234 O GLU A 387 -1.312 -14.105 9.003 1.00 0.00 O ATOM 235 CB GLU A 387 -1.929 -15.644 6.448 1.00 0.00 C ATOM 236 CG GLU A 387 -2.116 -16.841 7.366 1.00 0.00 C ATOM 237 CD GLU A 387 -2.277 -18.142 6.602 1.00 0.00 C ATOM 238 OE1 GLU A 387 -1.564 -18.330 5.593 1.00 0.00 O ATOM 239 OE2 GLU A 387 -3.115 -18.972 7.013 1.00 0.00 O ATOM 0 H GLU A 387 -2.652 -13.822 4.949 1.00 0.00 H new ATOM 0 HA GLU A 387 -3.466 -14.616 7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 387 -2.352 -15.877 5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 387 -0.863 -15.473 6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 387 -1.258 -16.920 8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 387 -2.994 -16.681 7.992 1.00 0.00 H new ATOM 246 N GLU A 388 -1.100 -12.492 7.449 1.00 0.00 N ATOM 247 CA GLU A 388 -0.161 -11.703 8.236 1.00 0.00 C ATOM 248 C GLU A 388 -0.889 -10.642 9.053 1.00 0.00 C ATOM 249 O GLU A 388 -0.477 -10.313 10.166 1.00 0.00 O ATOM 250 CB GLU A 388 0.872 -11.040 7.322 1.00 0.00 C ATOM 251 CG GLU A 388 2.260 -11.649 7.430 1.00 0.00 C ATOM 252 CD GLU A 388 3.321 -10.801 6.757 1.00 0.00 C ATOM 253 OE1 GLU A 388 3.352 -10.771 5.509 1.00 0.00 O ATOM 254 OE2 GLU A 388 4.120 -10.167 7.477 1.00 0.00 O ATOM 0 H GLU A 388 -1.330 -12.090 6.540 1.00 0.00 H new ATOM 0 HA GLU A 388 0.351 -12.376 8.924 1.00 0.00 H new ATOM 0 HB2 GLU A 388 0.531 -11.114 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 388 0.930 -9.979 7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 388 2.516 -11.778 8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 388 2.254 -12.642 6.980 1.00 0.00 H new ATOM 261 N LEU A 389 -1.974 -10.107 8.497 1.00 0.00 N ATOM 262 CA LEU A 389 -2.753 -9.082 9.183 1.00 0.00 C ATOM 263 C LEU A 389 -3.901 -9.705 9.963 1.00 0.00 C ATOM 264 O LEU A 389 -4.966 -9.105 10.106 1.00 0.00 O ATOM 265 CB LEU A 389 -3.297 -8.054 8.186 1.00 0.00 C ATOM 266 CG LEU A 389 -2.433 -7.817 6.943 1.00 0.00 C ATOM 267 CD1 LEU A 389 -3.041 -6.728 6.074 1.00 0.00 C ATOM 268 CD2 LEU A 389 -1.009 -7.452 7.336 1.00 0.00 C ATOM 0 H LEU A 389 -2.331 -10.366 7.577 1.00 0.00 H new ATOM 0 HA LEU A 389 -2.090 -8.574 9.884 1.00 0.00 H new ATOM 0 HB2 LEU A 389 -4.287 -8.376 7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 389 -3.425 -7.104 8.704 1.00 0.00 H new ATOM 0 HG LEU A 389 -2.401 -8.743 6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 389 -2.415 -6.572 5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 389 -4.040 -7.029 5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 389 -3.104 -5.801 6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 389 -0.414 -7.288 6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 389 -1.019 -6.542 7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 389 -0.572 -8.264 7.917 1.00 0.00 H new ATOM 280 N LEU A 390 -3.677 -10.911 10.468 1.00 0.00 N ATOM 281 CA LEU A 390 -4.681 -11.618 11.224 1.00 0.00 C ATOM 282 C LEU A 390 -4.221 -11.851 12.660 1.00 0.00 C ATOM 283 O LEU A 390 -5.038 -11.951 13.576 1.00 0.00 O ATOM 284 CB LEU A 390 -4.959 -12.940 10.529 1.00 0.00 C ATOM 285 CG LEU A 390 -6.282 -13.012 9.763 1.00 0.00 C ATOM 286 CD1 LEU A 390 -6.474 -11.771 8.904 1.00 0.00 C ATOM 287 CD2 LEU A 390 -6.312 -14.257 8.897 1.00 0.00 C ATOM 0 H LEU A 390 -2.798 -11.417 10.362 1.00 0.00 H new ATOM 0 HA LEU A 390 -5.593 -11.022 11.269 1.00 0.00 H new ATOM 0 HB2 LEU A 390 -4.144 -13.144 9.834 1.00 0.00 H new ATOM 0 HB3 LEU A 390 -4.947 -13.734 11.276 1.00 0.00 H new ATOM 0 HG LEU A 390 -7.098 -13.060 10.484 1.00 0.00 H new ATOM 0 HD11 LEU A 390 -7.420 -11.842 8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 390 -6.483 -10.886 9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 390 -5.656 -11.694 8.188 1.00 0.00 H new ATOM 0 HD21 LEU A 390 -7.257 -14.301 8.355 1.00 0.00 H new ATOM 0 HD22 LEU A 390 -5.487 -14.225 8.185 1.00 0.00 H new ATOM 0 HD23 LEU A 390 -6.214 -15.141 9.527 1.00 0.00 H new ATOM 299 N ASP A 391 -2.908 -11.937 12.847 1.00 0.00 N ATOM 300 CA ASP A 391 -2.335 -12.149 14.171 1.00 0.00 C ATOM 301 C ASP A 391 -2.097 -10.813 14.865 1.00 0.00 C ATOM 302 O ASP A 391 -2.061 -9.769 14.217 1.00 0.00 O ATOM 303 CB ASP A 391 -1.021 -12.926 14.066 1.00 0.00 C ATOM 304 CG ASP A 391 -1.084 -14.266 14.773 1.00 0.00 C ATOM 305 OD1 ASP A 391 -1.588 -15.234 14.166 1.00 0.00 O ATOM 306 OD2 ASP A 391 -0.629 -14.347 15.933 1.00 0.00 O ATOM 0 H ASP A 391 -2.220 -11.863 12.097 1.00 0.00 H new ATOM 0 HA ASP A 391 -3.041 -12.732 14.762 1.00 0.00 H new ATOM 0 HB2 ASP A 391 -0.778 -13.084 13.015 1.00 0.00 H new ATOM 0 HB3 ASP A 391 -0.215 -12.330 14.493 1.00 0.00 H new ATOM 311 N ASP A 392 -1.931 -10.851 16.182 1.00 0.00 N ATOM 312 CA ASP A 392 -1.704 -9.636 16.956 1.00 0.00 C ATOM 313 C ASP A 392 -0.264 -9.148 16.813 1.00 0.00 C ATOM 314 O ASP A 392 -0.021 -7.966 16.568 1.00 0.00 O ATOM 315 CB ASP A 392 -2.028 -9.879 18.431 1.00 0.00 C ATOM 316 CG ASP A 392 -3.490 -10.211 18.654 1.00 0.00 C ATOM 317 OD1 ASP A 392 -4.351 -9.387 18.279 1.00 0.00 O ATOM 318 OD2 ASP A 392 -3.775 -11.296 19.205 1.00 0.00 O ATOM 0 H ASP A 392 -1.949 -11.708 16.735 1.00 0.00 H new ATOM 0 HA ASP A 392 -2.366 -8.863 16.565 1.00 0.00 H new ATOM 0 HB2 ASP A 392 -1.411 -10.696 18.806 1.00 0.00 H new ATOM 0 HB3 ASP A 392 -1.767 -8.992 19.008 1.00 0.00 H new ATOM 323 N GLU A 393 0.686 -10.067 16.961 1.00 0.00 N ATOM 324 CA GLU A 393 2.103 -9.729 16.861 1.00 0.00 C ATOM 325 C GLU A 393 2.532 -9.521 15.411 1.00 0.00 C ATOM 326 O GLU A 393 3.356 -8.654 15.119 1.00 0.00 O ATOM 327 CB GLU A 393 2.951 -10.832 17.495 1.00 0.00 C ATOM 328 CG GLU A 393 2.837 -10.896 19.007 1.00 0.00 C ATOM 329 CD GLU A 393 2.801 -12.320 19.529 1.00 0.00 C ATOM 330 OE1 GLU A 393 1.999 -13.124 19.008 1.00 0.00 O ATOM 331 OE2 GLU A 393 3.576 -12.632 20.458 1.00 0.00 O ATOM 0 H GLU A 393 0.500 -11.052 17.151 1.00 0.00 H new ATOM 0 HA GLU A 393 2.258 -8.792 17.396 1.00 0.00 H new ATOM 0 HB2 GLU A 393 2.653 -11.793 17.076 1.00 0.00 H new ATOM 0 HB3 GLU A 393 3.995 -10.676 17.224 1.00 0.00 H new ATOM 0 HG2 GLU A 393 3.681 -10.370 19.454 1.00 0.00 H new ATOM 0 HG3 GLU A 393 1.933 -10.374 19.322 1.00 0.00 H new ATOM 338 N GLU A 394 1.971 -10.315 14.507 1.00 0.00 N ATOM 339 CA GLU A 394 2.314 -10.225 13.090 1.00 0.00 C ATOM 340 C GLU A 394 1.792 -8.934 12.462 1.00 0.00 C ATOM 341 O GLU A 394 2.539 -8.213 11.799 1.00 0.00 O ATOM 342 CB GLU A 394 1.760 -11.435 12.334 1.00 0.00 C ATOM 343 CG GLU A 394 2.774 -12.092 11.412 1.00 0.00 C ATOM 344 CD GLU A 394 3.863 -12.825 12.172 1.00 0.00 C ATOM 345 OE1 GLU A 394 3.526 -13.606 13.087 1.00 0.00 O ATOM 346 OE2 GLU A 394 5.052 -12.621 11.851 1.00 0.00 O ATOM 0 H GLU A 394 1.277 -11.029 14.728 1.00 0.00 H new ATOM 0 HA GLU A 394 3.401 -10.217 13.015 1.00 0.00 H new ATOM 0 HB2 GLU A 394 1.405 -12.172 13.055 1.00 0.00 H new ATOM 0 HB3 GLU A 394 0.897 -11.122 11.747 1.00 0.00 H new ATOM 0 HG2 GLU A 394 2.261 -12.793 10.754 1.00 0.00 H new ATOM 0 HG3 GLU A 394 3.228 -11.332 10.776 1.00 0.00 H new ATOM 353 N TYR A 395 0.512 -8.645 12.675 1.00 0.00 N ATOM 354 CA TYR A 395 -0.102 -7.448 12.117 1.00 0.00 C ATOM 355 C TYR A 395 0.535 -6.183 12.689 1.00 0.00 C ATOM 356 O TYR A 395 0.923 -5.284 11.942 1.00 0.00 O ATOM 357 CB TYR A 395 -1.606 -7.463 12.390 1.00 0.00 C ATOM 358 CG TYR A 395 -2.270 -6.115 12.262 1.00 0.00 C ATOM 359 CD1 TYR A 395 -2.557 -5.577 11.017 1.00 0.00 C ATOM 360 CD2 TYR A 395 -2.608 -5.382 13.390 1.00 0.00 C ATOM 361 CE1 TYR A 395 -3.164 -4.343 10.898 1.00 0.00 C ATOM 362 CE2 TYR A 395 -3.216 -4.150 13.281 1.00 0.00 C ATOM 363 CZ TYR A 395 -3.493 -3.633 12.034 1.00 0.00 C ATOM 364 OH TYR A 395 -4.100 -2.402 11.922 1.00 0.00 O ATOM 0 H TYR A 395 -0.119 -9.224 13.230 1.00 0.00 H new ATOM 0 HA TYR A 395 0.065 -7.444 11.040 1.00 0.00 H new ATOM 0 HB2 TYR A 395 -2.083 -8.158 11.698 1.00 0.00 H new ATOM 0 HB3 TYR A 395 -1.778 -7.846 13.396 1.00 0.00 H new ATOM 0 HD1 TYR A 395 -2.302 -6.132 10.126 1.00 0.00 H new ATOM 0 HD2 TYR A 395 -2.391 -5.783 14.369 1.00 0.00 H new ATOM 0 HE1 TYR A 395 -3.380 -3.936 9.921 1.00 0.00 H new ATOM 0 HE2 TYR A 395 -3.474 -3.592 14.169 1.00 0.00 H new ATOM 0 HH TYR A 395 -4.521 -2.324 11.040 1.00 0.00 H new ATOM 374 N GLU A 396 0.641 -6.119 14.013 1.00 0.00 N ATOM 375 CA GLU A 396 1.228 -4.958 14.676 1.00 0.00 C ATOM 376 C GLU A 396 2.661 -4.727 14.206 1.00 0.00 C ATOM 377 O GLU A 396 3.115 -3.587 14.114 1.00 0.00 O ATOM 378 CB GLU A 396 1.203 -5.142 16.194 1.00 0.00 C ATOM 379 CG GLU A 396 -0.148 -4.838 16.822 1.00 0.00 C ATOM 380 CD GLU A 396 -0.089 -3.691 17.811 1.00 0.00 C ATOM 381 OE1 GLU A 396 0.251 -3.938 18.987 1.00 0.00 O ATOM 382 OE2 GLU A 396 -0.380 -2.544 17.409 1.00 0.00 O ATOM 0 H GLU A 396 0.329 -6.855 14.647 1.00 0.00 H new ATOM 0 HA GLU A 396 0.632 -4.084 14.412 1.00 0.00 H new ATOM 0 HB2 GLU A 396 1.482 -6.168 16.432 1.00 0.00 H new ATOM 0 HB3 GLU A 396 1.957 -4.495 16.643 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.864 -4.598 16.036 1.00 0.00 H new ATOM 0 HG3 GLU A 396 -0.518 -5.730 17.328 1.00 0.00 H new ATOM 389 N GLU A 397 3.366 -5.814 13.911 1.00 0.00 N ATOM 390 CA GLU A 397 4.748 -5.728 13.452 1.00 0.00 C ATOM 391 C GLU A 397 4.841 -4.978 12.128 1.00 0.00 C ATOM 392 O GLU A 397 5.657 -4.070 11.973 1.00 0.00 O ATOM 393 CB GLU A 397 5.347 -7.127 13.297 1.00 0.00 C ATOM 394 CG GLU A 397 6.210 -7.552 14.472 1.00 0.00 C ATOM 395 CD GLU A 397 7.687 -7.582 14.130 1.00 0.00 C ATOM 396 OE1 GLU A 397 8.145 -8.596 13.563 1.00 0.00 O ATOM 397 OE2 GLU A 397 8.386 -6.591 14.429 1.00 0.00 O ATOM 0 H GLU A 397 3.003 -6.765 13.981 1.00 0.00 H new ATOM 0 HA GLU A 397 5.315 -5.177 14.202 1.00 0.00 H new ATOM 0 HB2 GLU A 397 4.539 -7.847 13.171 1.00 0.00 H new ATOM 0 HB3 GLU A 397 5.946 -7.158 12.387 1.00 0.00 H new ATOM 0 HG2 GLU A 397 6.047 -6.867 15.304 1.00 0.00 H new ATOM 0 HG3 GLU A 397 5.898 -8.541 14.808 1.00 0.00 H new ATOM 404 N ILE A 398 3.999 -5.365 11.174 1.00 0.00 N ATOM 405 CA ILE A 398 3.993 -4.730 9.861 1.00 0.00 C ATOM 406 C ILE A 398 3.626 -3.254 9.958 1.00 0.00 C ATOM 407 O ILE A 398 4.368 -2.396 9.494 1.00 0.00 O ATOM 408 CB ILE A 398 3.006 -5.433 8.910 1.00 0.00 C ATOM 409 CG1 ILE A 398 3.419 -6.890 8.706 1.00 0.00 C ATOM 410 CG2 ILE A 398 2.934 -4.705 7.575 1.00 0.00 C ATOM 411 CD1 ILE A 398 2.246 -7.828 8.554 1.00 0.00 C ATOM 0 H ILE A 398 3.314 -6.113 11.285 1.00 0.00 H new ATOM 0 HA ILE A 398 5.003 -4.818 9.462 1.00 0.00 H new ATOM 0 HB ILE A 398 2.014 -5.411 9.361 1.00 0.00 H new ATOM 0 HG12 ILE A 398 4.049 -6.961 7.819 1.00 0.00 H new ATOM 0 HG13 ILE A 398 4.024 -7.211 9.554 1.00 0.00 H new ATOM 0 HG21 ILE A 398 2.231 -5.218 6.918 1.00 0.00 H new ATOM 0 HG22 ILE A 398 2.598 -3.681 7.737 1.00 0.00 H new ATOM 0 HG23 ILE A 398 3.921 -4.694 7.113 1.00 0.00 H new ATOM 0 HD11 ILE A 398 2.610 -8.846 8.413 1.00 0.00 H new ATOM 0 HD12 ILE A 398 1.627 -7.785 9.450 1.00 0.00 H new ATOM 0 HD13 ILE A 398 1.653 -7.531 7.689 1.00 0.00 H new ATOM 423 N VAL A 399 2.482 -2.965 10.570 1.00 0.00 N ATOM 424 CA VAL A 399 2.020 -1.588 10.728 1.00 0.00 C ATOM 425 C VAL A 399 3.088 -0.700 11.364 1.00 0.00 C ATOM 426 O VAL A 399 3.269 0.449 10.959 1.00 0.00 O ATOM 427 CB VAL A 399 0.741 -1.520 11.583 1.00 0.00 C ATOM 428 CG1 VAL A 399 0.159 -0.114 11.572 1.00 0.00 C ATOM 429 CG2 VAL A 399 -0.283 -2.530 11.091 1.00 0.00 C ATOM 0 H VAL A 399 1.856 -3.666 10.966 1.00 0.00 H new ATOM 0 HA VAL A 399 1.805 -1.220 9.725 1.00 0.00 H new ATOM 0 HB VAL A 399 1.003 -1.770 12.611 1.00 0.00 H new ATOM 0 HG11 VAL A 399 -0.744 -0.089 12.182 1.00 0.00 H new ATOM 0 HG12 VAL A 399 0.890 0.586 11.977 1.00 0.00 H new ATOM 0 HG13 VAL A 399 -0.087 0.170 10.549 1.00 0.00 H new ATOM 0 HG21 VAL A 399 -1.180 -2.468 11.707 1.00 0.00 H new ATOM 0 HG22 VAL A 399 -0.539 -2.313 10.054 1.00 0.00 H new ATOM 0 HG23 VAL A 399 0.135 -3.534 11.159 1.00 0.00 H new ATOM 439 N GLU A 400 3.793 -1.234 12.358 1.00 0.00 N ATOM 440 CA GLU A 400 4.833 -0.478 13.053 1.00 0.00 C ATOM 441 C GLU A 400 5.999 -0.140 12.126 1.00 0.00 C ATOM 442 O GLU A 400 6.285 1.032 11.880 1.00 0.00 O ATOM 443 CB GLU A 400 5.343 -1.265 14.262 1.00 0.00 C ATOM 444 CG GLU A 400 5.546 -0.409 15.501 1.00 0.00 C ATOM 445 CD GLU A 400 5.510 -1.220 16.781 1.00 0.00 C ATOM 446 OE1 GLU A 400 4.593 -2.056 16.930 1.00 0.00 O ATOM 447 OE2 GLU A 400 6.399 -1.021 17.635 1.00 0.00 O ATOM 0 H GLU A 400 3.664 -2.186 12.700 1.00 0.00 H new ATOM 0 HA GLU A 400 4.388 0.458 13.391 1.00 0.00 H new ATOM 0 HB2 GLU A 400 4.635 -2.061 14.492 1.00 0.00 H new ATOM 0 HB3 GLU A 400 6.287 -1.743 14.002 1.00 0.00 H new ATOM 0 HG2 GLU A 400 6.503 0.107 15.429 1.00 0.00 H new ATOM 0 HG3 GLU A 400 4.772 0.358 15.539 1.00 0.00 H new ATOM 454 N ASP A 401 6.669 -1.170 11.619 1.00 0.00 N ATOM 455 CA ASP A 401 7.811 -0.982 10.728 1.00 0.00 C ATOM 456 C ASP A 401 7.429 -0.163 9.497 1.00 0.00 C ATOM 457 O ASP A 401 8.105 0.807 9.151 1.00 0.00 O ATOM 458 CB ASP A 401 8.377 -2.336 10.298 1.00 0.00 C ATOM 459 CG ASP A 401 9.545 -2.777 11.159 1.00 0.00 C ATOM 460 OD1 ASP A 401 9.301 -3.325 12.254 1.00 0.00 O ATOM 461 OD2 ASP A 401 10.704 -2.573 10.739 1.00 0.00 O ATOM 0 H ASP A 401 6.441 -2.146 11.810 1.00 0.00 H new ATOM 0 HA ASP A 401 8.574 -0.431 11.278 1.00 0.00 H new ATOM 0 HB2 ASP A 401 7.589 -3.088 10.347 1.00 0.00 H new ATOM 0 HB3 ASP A 401 8.698 -2.278 9.258 1.00 0.00 H new ATOM 466 N VAL A 402 6.347 -0.564 8.839 1.00 0.00 N ATOM 467 CA VAL A 402 5.869 0.123 7.643 1.00 0.00 C ATOM 468 C VAL A 402 5.664 1.616 7.905 1.00 0.00 C ATOM 469 O VAL A 402 5.990 2.450 7.060 1.00 0.00 O ATOM 470 CB VAL A 402 4.558 -0.517 7.119 1.00 0.00 C ATOM 471 CG1 VAL A 402 3.536 0.539 6.715 1.00 0.00 C ATOM 472 CG2 VAL A 402 4.855 -1.445 5.952 1.00 0.00 C ATOM 0 H VAL A 402 5.781 -1.366 9.115 1.00 0.00 H new ATOM 0 HA VAL A 402 6.636 0.014 6.876 1.00 0.00 H new ATOM 0 HB VAL A 402 4.124 -1.097 7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 402 2.631 0.050 6.353 1.00 0.00 H new ATOM 0 HG12 VAL A 402 3.293 1.159 7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 402 3.952 1.164 5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 402 3.926 -1.888 5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 402 5.321 -0.878 5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 402 5.531 -2.235 6.278 1.00 0.00 H new ATOM 482 N ARG A 403 5.123 1.947 9.075 1.00 0.00 N ATOM 483 CA ARG A 403 4.879 3.340 9.433 1.00 0.00 C ATOM 484 C ARG A 403 6.191 4.089 9.637 1.00 0.00 C ATOM 485 O ARG A 403 6.343 5.228 9.195 1.00 0.00 O ATOM 486 CB ARG A 403 4.025 3.429 10.699 1.00 0.00 C ATOM 487 CG ARG A 403 3.247 4.728 10.818 1.00 0.00 C ATOM 488 CD ARG A 403 2.273 4.688 11.983 1.00 0.00 C ATOM 489 NE ARG A 403 0.925 4.318 11.558 1.00 0.00 N ATOM 490 CZ ARG A 403 -0.172 4.602 12.253 1.00 0.00 C ATOM 491 NH1 ARG A 403 -0.082 5.255 13.404 1.00 0.00 N ATOM 492 NH2 ARG A 403 -1.362 4.232 11.799 1.00 0.00 N ATOM 0 H ARG A 403 4.847 1.272 9.788 1.00 0.00 H new ATOM 0 HA ARG A 403 4.339 3.806 8.609 1.00 0.00 H new ATOM 0 HB2 ARG A 403 3.325 2.593 10.715 1.00 0.00 H new ATOM 0 HB3 ARG A 403 4.670 3.321 11.571 1.00 0.00 H new ATOM 0 HG2 ARG A 403 3.941 5.558 10.951 1.00 0.00 H new ATOM 0 HG3 ARG A 403 2.702 4.913 9.893 1.00 0.00 H new ATOM 0 HD2 ARG A 403 2.627 3.974 12.727 1.00 0.00 H new ATOM 0 HD3 ARG A 403 2.245 5.665 12.466 1.00 0.00 H new ATOM 0 HE ARG A 403 0.820 3.813 10.678 1.00 0.00 H new ATOM 0 HH11 ARG A 403 0.831 5.541 13.758 1.00 0.00 H new ATOM 0 HH12 ARG A 403 -0.926 5.471 13.935 1.00 0.00 H new ATOM 0 HH21 ARG A 403 -1.437 3.729 10.915 1.00 0.00 H new ATOM 0 HH22 ARG A 403 -2.203 4.451 12.334 1.00 0.00 H new ATOM 506 N ASP A 404 7.138 3.441 10.309 1.00 0.00 N ATOM 507 CA ASP A 404 8.440 4.047 10.567 1.00 0.00 C ATOM 508 C ASP A 404 9.214 4.233 9.268 1.00 0.00 C ATOM 509 O ASP A 404 10.065 5.116 9.162 1.00 0.00 O ATOM 510 CB ASP A 404 9.249 3.179 11.535 1.00 0.00 C ATOM 511 CG ASP A 404 9.244 3.732 12.947 1.00 0.00 C ATOM 512 OD1 ASP A 404 8.157 3.790 13.558 1.00 0.00 O ATOM 513 OD2 ASP A 404 10.329 4.104 13.441 1.00 0.00 O ATOM 0 H ASP A 404 7.029 2.499 10.684 1.00 0.00 H new ATOM 0 HA ASP A 404 8.276 5.025 11.019 1.00 0.00 H new ATOM 0 HB2 ASP A 404 8.840 2.169 11.542 1.00 0.00 H new ATOM 0 HB3 ASP A 404 10.277 3.105 11.180 1.00 0.00 H new ATOM 518 N GLU A 405 8.910 3.397 8.279 1.00 0.00 N ATOM 519 CA GLU A 405 9.574 3.468 6.984 1.00 0.00 C ATOM 520 C GLU A 405 9.040 4.639 6.166 1.00 0.00 C ATOM 521 O GLU A 405 9.793 5.312 5.463 1.00 0.00 O ATOM 522 CB GLU A 405 9.382 2.158 6.216 1.00 0.00 C ATOM 523 CG GLU A 405 10.631 1.295 6.162 1.00 0.00 C ATOM 524 CD GLU A 405 11.239 1.060 7.532 1.00 0.00 C ATOM 525 OE1 GLU A 405 10.829 0.092 8.206 1.00 0.00 O ATOM 526 OE2 GLU A 405 12.124 1.845 7.932 1.00 0.00 O ATOM 0 H GLU A 405 8.207 2.662 8.351 1.00 0.00 H new ATOM 0 HA GLU A 405 10.639 3.624 7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 405 8.577 1.589 6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 405 9.064 2.386 5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 405 10.385 0.335 5.708 1.00 0.00 H new ATOM 0 HG3 GLU A 405 11.370 1.772 5.518 1.00 0.00 H new ATOM 533 N CYS A 406 7.735 4.875 6.263 1.00 0.00 N ATOM 534 CA CYS A 406 7.101 5.970 5.538 1.00 0.00 C ATOM 535 C CYS A 406 7.535 7.314 6.112 1.00 0.00 C ATOM 536 O CYS A 406 7.592 8.318 5.399 1.00 0.00 O ATOM 537 CB CYS A 406 5.579 5.840 5.608 1.00 0.00 C ATOM 538 SG CYS A 406 4.827 5.175 4.104 1.00 0.00 S ATOM 0 H CYS A 406 7.097 4.323 6.836 1.00 0.00 H new ATOM 0 HA CYS A 406 7.414 5.918 4.495 1.00 0.00 H new ATOM 0 HB2 CYS A 406 5.318 5.196 6.448 1.00 0.00 H new ATOM 0 HB3 CYS A 406 5.150 6.821 5.813 1.00 0.00 H new ATOM 0 HG CYS A 406 4.572 3.911 4.269 1.00 0.00 H new ATOM 544 N SER A 407 7.843 7.323 7.407 1.00 0.00 N ATOM 545 CA SER A 407 8.275 8.541 8.085 1.00 0.00 C ATOM 546 C SER A 407 9.793 8.694 8.022 1.00 0.00 C ATOM 547 O SER A 407 10.410 9.240 8.937 1.00 0.00 O ATOM 548 CB SER A 407 7.813 8.523 9.545 1.00 0.00 C ATOM 549 OG SER A 407 8.023 7.251 10.132 1.00 0.00 O ATOM 0 H SER A 407 7.801 6.500 8.007 1.00 0.00 H new ATOM 0 HA SER A 407 7.823 9.392 7.575 1.00 0.00 H new ATOM 0 HB2 SER A 407 8.355 9.281 10.110 1.00 0.00 H new ATOM 0 HB3 SER A 407 6.755 8.781 9.598 1.00 0.00 H new ATOM 0 HG SER A 407 7.306 6.642 9.858 1.00 0.00 H new ATOM 555 N LYS A 408 10.387 8.209 6.936 1.00 0.00 N ATOM 556 CA LYS A 408 11.832 8.294 6.752 1.00 0.00 C ATOM 557 C LYS A 408 12.179 9.307 5.668 1.00 0.00 C ATOM 558 O LYS A 408 13.315 9.772 5.577 1.00 0.00 O ATOM 559 CB LYS A 408 12.405 6.925 6.380 1.00 0.00 C ATOM 560 CG LYS A 408 12.673 6.029 7.578 1.00 0.00 C ATOM 561 CD LYS A 408 13.803 5.051 7.301 1.00 0.00 C ATOM 562 CE LYS A 408 14.743 4.935 8.490 1.00 0.00 C ATOM 563 NZ LYS A 408 15.039 3.515 8.829 1.00 0.00 N ATOM 0 H LYS A 408 9.890 7.753 6.170 1.00 0.00 H new ATOM 0 HA LYS A 408 12.273 8.622 7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 408 11.710 6.421 5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 408 13.335 7.068 5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 408 12.925 6.642 8.443 1.00 0.00 H new ATOM 0 HG3 LYS A 408 11.767 5.478 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 408 13.388 4.071 7.067 1.00 0.00 H new ATOM 0 HD3 LYS A 408 14.362 5.378 6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 408 15.674 5.457 8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 408 14.298 5.429 9.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 15.683 3.480 9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 14.154 3.023 9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 15.487 3.050 8.014 1.00 0.00 H new ATOM 577 N TYR A 409 11.189 9.643 4.847 1.00 0.00 N ATOM 578 CA TYR A 409 11.383 10.600 3.765 1.00 0.00 C ATOM 579 C TYR A 409 10.652 11.905 4.055 1.00 0.00 C ATOM 580 O TYR A 409 10.776 12.874 3.306 1.00 0.00 O ATOM 581 CB TYR A 409 10.890 10.011 2.441 1.00 0.00 C ATOM 582 CG TYR A 409 11.107 8.518 2.323 1.00 0.00 C ATOM 583 CD1 TYR A 409 12.302 8.008 1.833 1.00 0.00 C ATOM 584 CD2 TYR A 409 10.116 7.621 2.701 1.00 0.00 C ATOM 585 CE1 TYR A 409 12.505 6.646 1.723 1.00 0.00 C ATOM 586 CE2 TYR A 409 10.311 6.257 2.594 1.00 0.00 C ATOM 587 CZ TYR A 409 11.507 5.775 2.106 1.00 0.00 C ATOM 588 OH TYR A 409 11.704 4.418 1.999 1.00 0.00 O ATOM 0 H TYR A 409 10.243 9.266 4.911 1.00 0.00 H new ATOM 0 HA TYR A 409 12.450 10.811 3.688 1.00 0.00 H new ATOM 0 HB2 TYR A 409 9.827 10.225 2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 409 11.402 10.510 1.618 1.00 0.00 H new ATOM 0 HD1 TYR A 409 13.086 8.688 1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 409 9.178 7.995 3.085 1.00 0.00 H new ATOM 0 HE1 TYR A 409 13.440 6.266 1.339 1.00 0.00 H new ATOM 0 HE2 TYR A 409 9.531 5.572 2.891 1.00 0.00 H new ATOM 0 HH TYR A 409 10.904 3.946 2.312 1.00 0.00 H new ATOM 598 N GLY A 410 9.892 11.923 5.145 1.00 0.00 N ATOM 599 CA GLY A 410 9.155 13.117 5.509 1.00 0.00 C ATOM 600 C GLY A 410 8.206 12.892 6.670 1.00 0.00 C ATOM 601 O GLY A 410 8.534 12.180 7.619 1.00 0.00 O ATOM 0 H GLY A 410 9.774 11.134 5.781 1.00 0.00 H new ATOM 0 HA2 GLY A 410 9.859 13.907 5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 410 8.589 13.466 4.646 1.00 0.00 H new ATOM 605 N LEU A 411 7.027 13.499 6.588 1.00 0.00 N ATOM 606 CA LEU A 411 6.023 13.374 7.638 1.00 0.00 C ATOM 607 C LEU A 411 4.793 12.623 7.136 1.00 0.00 C ATOM 608 O LEU A 411 4.213 12.981 6.110 1.00 0.00 O ATOM 609 CB LEU A 411 5.611 14.764 8.137 1.00 0.00 C ATOM 610 CG LEU A 411 5.493 14.913 9.657 1.00 0.00 C ATOM 611 CD1 LEU A 411 4.640 13.800 10.248 1.00 0.00 C ATOM 612 CD2 LEU A 411 6.872 14.928 10.293 1.00 0.00 C ATOM 0 H LEU A 411 6.743 14.084 5.803 1.00 0.00 H new ATOM 0 HA LEU A 411 6.461 12.806 8.459 1.00 0.00 H new ATOM 0 HB2 LEU A 411 6.338 15.491 7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 411 4.651 15.022 7.689 1.00 0.00 H new ATOM 0 HG LEU A 411 5.001 15.862 9.871 1.00 0.00 H new ATOM 0 HD11 LEU A 411 4.572 13.928 11.328 1.00 0.00 H new ATOM 0 HD12 LEU A 411 3.641 13.838 9.814 1.00 0.00 H new ATOM 0 HD13 LEU A 411 5.096 12.835 10.025 1.00 0.00 H new ATOM 0 HD21 LEU A 411 6.773 15.034 11.373 1.00 0.00 H new ATOM 0 HD22 LEU A 411 7.388 13.995 10.066 1.00 0.00 H new ATOM 0 HD23 LEU A 411 7.446 15.766 9.897 1.00 0.00 H new ATOM 624 N VAL A 412 4.400 11.581 7.863 1.00 0.00 N ATOM 625 CA VAL A 412 3.233 10.790 7.494 1.00 0.00 C ATOM 626 C VAL A 412 2.159 10.872 8.576 1.00 0.00 C ATOM 627 O VAL A 412 2.431 10.640 9.755 1.00 0.00 O ATOM 628 CB VAL A 412 3.593 9.309 7.245 1.00 0.00 C ATOM 629 CG1 VAL A 412 4.266 8.698 8.463 1.00 0.00 C ATOM 630 CG2 VAL A 412 2.352 8.515 6.868 1.00 0.00 C ATOM 0 H VAL A 412 4.873 11.266 8.710 1.00 0.00 H new ATOM 0 HA VAL A 412 2.849 11.211 6.565 1.00 0.00 H new ATOM 0 HB VAL A 412 4.298 9.269 6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 412 4.508 7.655 8.260 1.00 0.00 H new ATOM 0 HG12 VAL A 412 5.181 9.246 8.686 1.00 0.00 H new ATOM 0 HG13 VAL A 412 3.592 8.754 9.318 1.00 0.00 H new ATOM 0 HG21 VAL A 412 2.625 7.474 6.696 1.00 0.00 H new ATOM 0 HG22 VAL A 412 1.624 8.571 7.678 1.00 0.00 H new ATOM 0 HG23 VAL A 412 1.916 8.931 5.959 1.00 0.00 H new ATOM 640 N LYS A 413 0.939 11.209 8.168 1.00 0.00 N ATOM 641 CA LYS A 413 -0.174 11.322 9.102 1.00 0.00 C ATOM 642 C LYS A 413 -0.439 9.985 9.787 1.00 0.00 C ATOM 643 O LYS A 413 -0.441 9.896 11.016 1.00 0.00 O ATOM 644 CB LYS A 413 -1.434 11.800 8.377 1.00 0.00 C ATOM 645 CG LYS A 413 -1.492 13.306 8.190 1.00 0.00 C ATOM 646 CD LYS A 413 -2.612 13.706 7.244 1.00 0.00 C ATOM 647 CE LYS A 413 -3.785 14.311 7.997 1.00 0.00 C ATOM 648 NZ LYS A 413 -4.505 15.326 7.179 1.00 0.00 N ATOM 0 H LYS A 413 0.697 11.408 7.197 1.00 0.00 H new ATOM 0 HA LYS A 413 0.093 12.055 9.863 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -1.486 11.319 7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -2.311 11.478 8.939 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -1.640 13.788 9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -0.539 13.662 7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -2.236 14.424 6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -2.948 12.832 6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -4.477 13.520 8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -3.427 14.774 8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -5.298 15.715 7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -3.851 16.093 6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -4.869 14.879 6.313 1.00 0.00 H new ATOM 662 N SER A 414 -0.660 8.947 8.984 1.00 0.00 N ATOM 663 CA SER A 414 -0.925 7.611 9.510 1.00 0.00 C ATOM 664 C SER A 414 -0.988 6.582 8.387 1.00 0.00 C ATOM 665 O SER A 414 -0.825 6.918 7.214 1.00 0.00 O ATOM 666 CB SER A 414 -2.236 7.597 10.298 1.00 0.00 C ATOM 667 OG SER A 414 -3.250 8.313 9.614 1.00 0.00 O ATOM 0 H SER A 414 -0.661 9.006 7.966 1.00 0.00 H new ATOM 0 HA SER A 414 -0.104 7.347 10.176 1.00 0.00 H new ATOM 0 HB2 SER A 414 -2.557 6.568 10.457 1.00 0.00 H new ATOM 0 HB3 SER A 414 -2.077 8.037 11.283 1.00 0.00 H new ATOM 0 HG SER A 414 -4.078 8.288 10.137 1.00 0.00 H new ATOM 673 N ILE A 415 -1.219 5.326 8.755 1.00 0.00 N ATOM 674 CA ILE A 415 -1.314 4.244 7.780 1.00 0.00 C ATOM 675 C ILE A 415 -2.527 3.366 8.063 1.00 0.00 C ATOM 676 O ILE A 415 -2.674 2.833 9.163 1.00 0.00 O ATOM 677 CB ILE A 415 -0.047 3.364 7.775 1.00 0.00 C ATOM 678 CG1 ILE A 415 1.192 4.222 7.511 1.00 0.00 C ATOM 679 CG2 ILE A 415 -0.184 2.248 6.746 1.00 0.00 C ATOM 680 CD1 ILE A 415 2.380 3.472 6.952 1.00 0.00 C ATOM 0 H ILE A 415 -1.344 5.031 9.723 1.00 0.00 H new ATOM 0 HA ILE A 415 -1.418 4.711 6.801 1.00 0.00 H new ATOM 0 HB ILE A 415 0.071 2.901 8.755 1.00 0.00 H new ATOM 0 HG12 ILE A 415 0.923 5.017 6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 415 1.490 4.701 8.444 1.00 0.00 H new ATOM 0 HG21 ILE A 415 0.717 1.634 6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 415 -1.047 1.629 6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 415 -0.320 2.681 5.755 1.00 0.00 H new ATOM 0 HD11 ILE A 415 3.208 4.164 6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 415 2.682 2.694 7.653 1.00 0.00 H new ATOM 0 HD13 ILE A 415 2.107 3.016 6.000 1.00 0.00 H new ATOM 692 N GLU A 416 -3.396 3.220 7.068 1.00 0.00 N ATOM 693 CA GLU A 416 -4.591 2.401 7.215 1.00 0.00 C ATOM 694 C GLU A 416 -4.317 0.972 6.763 1.00 0.00 C ATOM 695 O GLU A 416 -4.027 0.724 5.591 1.00 0.00 O ATOM 696 CB GLU A 416 -5.748 2.988 6.413 1.00 0.00 C ATOM 697 CG GLU A 416 -6.423 4.169 7.090 1.00 0.00 C ATOM 698 CD GLU A 416 -7.312 3.752 8.246 1.00 0.00 C ATOM 699 OE1 GLU A 416 -8.187 2.883 8.039 1.00 0.00 O ATOM 700 OE2 GLU A 416 -7.132 4.291 9.357 1.00 0.00 O ATOM 0 H GLU A 416 -3.294 3.658 6.153 1.00 0.00 H new ATOM 0 HA GLU A 416 -4.867 2.390 8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -5.379 3.302 5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -6.489 2.208 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -5.661 4.858 7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -7.019 4.711 6.356 1.00 0.00 H new ATOM 707 N ILE A 417 -4.415 0.039 7.704 1.00 0.00 N ATOM 708 CA ILE A 417 -4.165 -1.370 7.426 1.00 0.00 C ATOM 709 C ILE A 417 -5.208 -2.257 8.112 1.00 0.00 C ATOM 710 O ILE A 417 -5.168 -2.431 9.330 1.00 0.00 O ATOM 711 CB ILE A 417 -2.753 -1.781 7.898 1.00 0.00 C ATOM 712 CG1 ILE A 417 -1.734 -0.710 7.497 1.00 0.00 C ATOM 713 CG2 ILE A 417 -2.366 -3.139 7.331 1.00 0.00 C ATOM 714 CD1 ILE A 417 -0.328 -0.983 7.989 1.00 0.00 C ATOM 0 H ILE A 417 -4.668 0.236 8.672 1.00 0.00 H new ATOM 0 HA ILE A 417 -4.235 -1.509 6.347 1.00 0.00 H new ATOM 0 HB ILE A 417 -2.759 -1.865 8.985 1.00 0.00 H new ATOM 0 HG12 ILE A 417 -1.718 -0.627 6.410 1.00 0.00 H new ATOM 0 HG13 ILE A 417 -2.063 0.254 7.885 1.00 0.00 H new ATOM 0 HG21 ILE A 417 -1.368 -3.407 7.677 1.00 0.00 H new ATOM 0 HG22 ILE A 417 -3.080 -3.891 7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 417 -2.372 -3.094 6.242 1.00 0.00 H new ATOM 0 HD11 ILE A 417 0.333 -0.180 7.664 1.00 0.00 H new ATOM 0 HD12 ILE A 417 -0.327 -1.036 9.078 1.00 0.00 H new ATOM 0 HD13 ILE A 417 0.023 -1.930 7.580 1.00 0.00 H new ATOM 726 N PRO A 418 -6.161 -2.826 7.341 1.00 0.00 N ATOM 727 CA PRO A 418 -7.215 -3.689 7.892 1.00 0.00 C ATOM 728 C PRO A 418 -6.665 -4.802 8.781 1.00 0.00 C ATOM 729 O PRO A 418 -5.478 -5.125 8.728 1.00 0.00 O ATOM 730 CB PRO A 418 -7.876 -4.280 6.647 1.00 0.00 C ATOM 731 CG PRO A 418 -7.635 -3.273 5.578 1.00 0.00 C ATOM 732 CD PRO A 418 -6.289 -2.671 5.877 1.00 0.00 C ATOM 0 HA PRO A 418 -7.897 -3.131 8.534 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -7.441 -5.245 6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -8.942 -4.443 6.804 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -7.645 -3.739 4.593 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -8.413 -2.510 5.577 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -5.490 -3.190 5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -6.242 -1.624 5.578 1.00 0.00 H new ATOM 740 N ARG A 419 -7.540 -5.382 9.598 1.00 0.00 N ATOM 741 CA ARG A 419 -7.154 -6.456 10.505 1.00 0.00 C ATOM 742 C ARG A 419 -8.300 -7.454 10.671 1.00 0.00 C ATOM 743 O ARG A 419 -9.009 -7.432 11.678 1.00 0.00 O ATOM 744 CB ARG A 419 -6.753 -5.885 11.866 1.00 0.00 C ATOM 745 CG ARG A 419 -5.948 -6.854 12.719 1.00 0.00 C ATOM 746 CD ARG A 419 -6.759 -7.360 13.902 1.00 0.00 C ATOM 747 NE ARG A 419 -6.832 -8.818 13.932 1.00 0.00 N ATOM 748 CZ ARG A 419 -7.602 -9.502 14.774 1.00 0.00 C ATOM 749 NH1 ARG A 419 -8.357 -8.861 15.656 1.00 0.00 N ATOM 750 NH2 ARG A 419 -7.618 -10.828 14.733 1.00 0.00 N ATOM 0 H ARG A 419 -8.525 -5.124 9.649 1.00 0.00 H new ATOM 0 HA ARG A 419 -6.298 -6.977 10.077 1.00 0.00 H new ATOM 0 HB2 ARG A 419 -6.169 -4.978 11.712 1.00 0.00 H new ATOM 0 HB3 ARG A 419 -7.653 -5.597 12.409 1.00 0.00 H new ATOM 0 HG2 ARG A 419 -5.627 -7.698 12.109 1.00 0.00 H new ATOM 0 HG3 ARG A 419 -5.046 -6.360 13.079 1.00 0.00 H new ATOM 0 HD2 ARG A 419 -6.312 -7.000 14.829 1.00 0.00 H new ATOM 0 HD3 ARG A 419 -7.767 -6.948 13.854 1.00 0.00 H new ATOM 0 HE ARG A 419 -6.260 -9.342 13.270 1.00 0.00 H new ATOM 0 HH11 ARG A 419 -8.348 -7.842 15.690 1.00 0.00 H new ATOM 0 HH12 ARG A 419 -8.947 -9.387 16.301 1.00 0.00 H new ATOM 0 HH21 ARG A 419 -7.039 -11.324 14.055 1.00 0.00 H new ATOM 0 HH22 ARG A 419 -8.209 -11.351 15.379 1.00 0.00 H new ATOM 764 N PRO A 420 -8.497 -8.342 9.681 1.00 0.00 N ATOM 765 CA PRO A 420 -9.565 -9.346 9.727 1.00 0.00 C ATOM 766 C PRO A 420 -9.411 -10.280 10.922 1.00 0.00 C ATOM 767 O PRO A 420 -8.299 -10.695 11.252 1.00 0.00 O ATOM 768 CB PRO A 420 -9.400 -10.123 8.417 1.00 0.00 C ATOM 769 CG PRO A 420 -8.551 -9.266 7.540 1.00 0.00 C ATOM 770 CD PRO A 420 -7.690 -8.446 8.454 1.00 0.00 C ATOM 0 HA PRO A 420 -10.549 -8.889 9.835 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -8.929 -11.090 8.593 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -10.367 -10.319 7.954 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -7.940 -9.876 6.875 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -9.167 -8.626 6.909 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -6.731 -8.929 8.643 1.00 0.00 H new ATOM 0 HD3 PRO A 420 -7.475 -7.465 8.030 1.00 0.00 H new ATOM 778 N VAL A 421 -10.524 -10.611 11.575 1.00 0.00 N ATOM 779 CA VAL A 421 -10.475 -11.495 12.733 1.00 0.00 C ATOM 780 C VAL A 421 -10.325 -12.945 12.312 1.00 0.00 C ATOM 781 O VAL A 421 -11.303 -13.611 11.980 1.00 0.00 O ATOM 782 CB VAL A 421 -11.711 -11.351 13.639 1.00 0.00 C ATOM 783 CG1 VAL A 421 -11.519 -12.154 14.917 1.00 0.00 C ATOM 784 CG2 VAL A 421 -11.978 -9.886 13.952 1.00 0.00 C ATOM 0 H VAL A 421 -11.457 -10.285 11.325 1.00 0.00 H new ATOM 0 HA VAL A 421 -9.599 -11.192 13.307 1.00 0.00 H new ATOM 0 HB VAL A 421 -12.580 -11.745 13.112 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -12.399 -12.045 15.551 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -11.379 -13.206 14.668 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -10.641 -11.787 15.449 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -12.856 -9.805 14.593 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -11.115 -9.460 14.463 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -12.155 -9.342 13.024 1.00 0.00 H new ATOM 794 N ASP A 422 -9.087 -13.434 12.332 1.00 0.00 N ATOM 795 CA ASP A 422 -8.809 -14.803 11.931 1.00 0.00 C ATOM 796 C ASP A 422 -9.320 -15.009 10.516 1.00 0.00 C ATOM 797 O ASP A 422 -9.539 -16.134 10.065 1.00 0.00 O ATOM 798 CB ASP A 422 -9.474 -15.796 12.889 1.00 0.00 C ATOM 799 CG ASP A 422 -8.563 -16.203 14.030 1.00 0.00 C ATOM 800 OD1 ASP A 422 -7.684 -15.398 14.404 1.00 0.00 O ATOM 801 OD2 ASP A 422 -8.728 -17.325 14.551 1.00 0.00 O ATOM 0 H ASP A 422 -8.266 -12.902 12.621 1.00 0.00 H new ATOM 0 HA ASP A 422 -7.734 -14.980 11.965 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -10.382 -15.351 13.295 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -9.775 -16.685 12.334 1.00 0.00 H new ATOM 806 N GLY A 423 -9.503 -13.888 9.825 1.00 0.00 N ATOM 807 CA GLY A 423 -10.010 -13.905 8.474 1.00 0.00 C ATOM 808 C GLY A 423 -11.476 -13.524 8.431 1.00 0.00 C ATOM 809 O GLY A 423 -12.224 -14.002 7.576 1.00 0.00 O ATOM 0 H GLY A 423 -9.304 -12.956 10.189 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -9.434 -13.214 7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -9.878 -14.899 8.046 1.00 0.00 H new ATOM 813 N VAL A 424 -11.889 -12.658 9.359 1.00 0.00 N ATOM 814 CA VAL A 424 -13.280 -12.227 9.430 1.00 0.00 C ATOM 815 C VAL A 424 -13.558 -11.036 8.513 1.00 0.00 C ATOM 816 O VAL A 424 -14.230 -11.175 7.491 1.00 0.00 O ATOM 817 CB VAL A 424 -13.708 -11.883 10.875 1.00 0.00 C ATOM 818 CG1 VAL A 424 -14.875 -10.902 10.892 1.00 0.00 C ATOM 819 CG2 VAL A 424 -14.080 -13.151 11.630 1.00 0.00 C ATOM 0 H VAL A 424 -11.281 -12.245 10.067 1.00 0.00 H new ATOM 0 HA VAL A 424 -13.874 -13.074 9.087 1.00 0.00 H new ATOM 0 HB VAL A 424 -12.861 -11.407 11.369 1.00 0.00 H new ATOM 0 HG11 VAL A 424 -15.150 -10.682 11.923 1.00 0.00 H new ATOM 0 HG12 VAL A 424 -14.582 -9.980 10.390 1.00 0.00 H new ATOM 0 HG13 VAL A 424 -15.728 -11.342 10.375 1.00 0.00 H new ATOM 0 HG21 VAL A 424 -14.380 -12.895 12.646 1.00 0.00 H new ATOM 0 HG22 VAL A 424 -14.907 -13.647 11.122 1.00 0.00 H new ATOM 0 HG23 VAL A 424 -13.220 -13.820 11.663 1.00 0.00 H new ATOM 874 N GLY A 428 -11.557 -6.290 1.305 1.00 0.00 N ATOM 875 CA GLY A 428 -10.547 -5.813 0.381 1.00 0.00 C ATOM 876 C GLY A 428 -9.151 -5.946 0.956 1.00 0.00 C ATOM 877 O GLY A 428 -8.240 -5.208 0.577 1.00 0.00 O ATOM 0 HA2 GLY A 428 -10.612 -6.375 -0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -10.742 -4.769 0.137 1.00 0.00 H new ATOM 881 N CYS A 429 -8.990 -6.889 1.881 1.00 0.00 N ATOM 882 CA CYS A 429 -7.704 -7.130 2.527 1.00 0.00 C ATOM 883 C CYS A 429 -6.614 -7.395 1.493 1.00 0.00 C ATOM 884 O CYS A 429 -6.890 -7.879 0.395 1.00 0.00 O ATOM 885 CB CYS A 429 -7.815 -8.311 3.493 1.00 0.00 C ATOM 886 SG CYS A 429 -6.225 -8.990 4.022 1.00 0.00 S ATOM 0 H CYS A 429 -9.740 -7.502 2.201 1.00 0.00 H new ATOM 0 HA CYS A 429 -7.430 -6.236 3.087 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -8.373 -7.994 4.374 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -8.394 -9.102 3.017 1.00 0.00 H new ATOM 0 HG CYS A 429 -6.415 -9.834 4.992 1.00 0.00 H new ATOM 892 N GLY A 430 -5.374 -7.074 1.853 1.00 0.00 N ATOM 893 CA GLY A 430 -4.258 -7.277 0.947 1.00 0.00 C ATOM 894 C GLY A 430 -3.738 -5.972 0.384 1.00 0.00 C ATOM 895 O GLY A 430 -2.636 -5.917 -0.163 1.00 0.00 O ATOM 0 H GLY A 430 -5.123 -6.676 2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -3.453 -7.791 1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -4.569 -7.926 0.129 1.00 0.00 H new ATOM 899 N LYS A 431 -4.535 -4.918 0.520 1.00 0.00 N ATOM 900 CA LYS A 431 -4.158 -3.599 0.026 1.00 0.00 C ATOM 901 C LYS A 431 -4.317 -2.548 1.121 1.00 0.00 C ATOM 902 O LYS A 431 -5.431 -2.257 1.556 1.00 0.00 O ATOM 903 CB LYS A 431 -5.012 -3.221 -1.187 1.00 0.00 C ATOM 904 CG LYS A 431 -5.159 -4.343 -2.202 1.00 0.00 C ATOM 905 CD LYS A 431 -6.604 -4.799 -2.325 1.00 0.00 C ATOM 906 CE LYS A 431 -7.273 -4.207 -3.556 1.00 0.00 C ATOM 907 NZ LYS A 431 -8.674 -3.790 -3.279 1.00 0.00 N ATOM 0 H LYS A 431 -5.450 -4.952 0.970 1.00 0.00 H new ATOM 0 HA LYS A 431 -3.111 -3.634 -0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -6.002 -2.921 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -4.568 -2.355 -1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -4.799 -4.005 -3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -4.534 -5.186 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -6.640 -5.887 -2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -7.157 -4.505 -1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -6.700 -3.347 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -7.265 -4.941 -4.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -9.095 -3.392 -4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -9.228 -4.615 -2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -8.680 -3.071 -2.528 1.00 0.00 H new ATOM 921 N ILE A 432 -3.197 -1.982 1.562 1.00 0.00 N ATOM 922 CA ILE A 432 -3.215 -0.966 2.607 1.00 0.00 C ATOM 923 C ILE A 432 -2.602 0.331 2.095 1.00 0.00 C ATOM 924 O ILE A 432 -1.727 0.311 1.232 1.00 0.00 O ATOM 925 CB ILE A 432 -2.501 -1.467 3.880 1.00 0.00 C ATOM 926 CG1 ILE A 432 -0.992 -1.624 3.650 1.00 0.00 C ATOM 927 CG2 ILE A 432 -3.125 -2.789 4.289 1.00 0.00 C ATOM 928 CD1 ILE A 432 -0.219 -2.184 4.826 1.00 0.00 C ATOM 0 H ILE A 432 -2.267 -2.210 1.211 1.00 0.00 H new ATOM 0 HA ILE A 432 -4.252 -0.765 2.877 1.00 0.00 H new ATOM 0 HB ILE A 432 -2.625 -0.734 4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 432 -0.837 -2.275 2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 432 -0.576 -0.650 3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 432 -2.634 -3.161 5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 432 -4.187 -2.644 4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 432 -3.004 -3.513 3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 432 0.837 -2.257 4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 432 -0.336 -1.524 5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 432 -0.601 -3.174 5.074 1.00 0.00 H new ATOM 940 N PHE A 433 -3.058 1.458 2.631 1.00 0.00 N ATOM 941 CA PHE A 433 -2.583 2.758 2.160 1.00 0.00 C ATOM 942 C PHE A 433 -1.923 3.583 3.258 1.00 0.00 C ATOM 943 O PHE A 433 -1.856 3.173 4.416 1.00 0.00 O ATOM 944 CB PHE A 433 -3.732 3.558 1.531 1.00 0.00 C ATOM 945 CG PHE A 433 -5.057 3.402 2.228 1.00 0.00 C ATOM 946 CD1 PHE A 433 -5.763 2.210 2.156 1.00 0.00 C ATOM 947 CD2 PHE A 433 -5.598 4.452 2.949 1.00 0.00 C ATOM 948 CE1 PHE A 433 -6.982 2.071 2.791 1.00 0.00 C ATOM 949 CE2 PHE A 433 -6.815 4.319 3.586 1.00 0.00 C ATOM 950 CZ PHE A 433 -7.509 3.126 3.507 1.00 0.00 C ATOM 0 H PHE A 433 -3.747 1.501 3.382 1.00 0.00 H new ATOM 0 HA PHE A 433 -1.822 2.552 1.408 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -3.462 4.614 1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -3.845 3.251 0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -5.355 1.381 1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 433 -5.061 5.387 3.014 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -7.522 1.138 2.727 1.00 0.00 H new ATOM 0 HE2 PHE A 433 -7.225 5.147 4.146 1.00 0.00 H new ATOM 0 HZ PHE A 433 -8.462 3.020 4.005 1.00 0.00 H new ATOM 960 N VAL A 434 -1.445 4.762 2.863 1.00 0.00 N ATOM 961 CA VAL A 434 -0.761 5.674 3.772 1.00 0.00 C ATOM 962 C VAL A 434 -1.208 7.114 3.553 1.00 0.00 C ATOM 963 O VAL A 434 -1.169 7.621 2.432 1.00 0.00 O ATOM 964 CB VAL A 434 0.763 5.600 3.565 1.00 0.00 C ATOM 965 CG1 VAL A 434 1.469 6.754 4.259 1.00 0.00 C ATOM 966 CG2 VAL A 434 1.299 4.272 4.055 1.00 0.00 C ATOM 0 H VAL A 434 -1.522 5.109 1.907 1.00 0.00 H new ATOM 0 HA VAL A 434 -1.017 5.368 4.787 1.00 0.00 H new ATOM 0 HB VAL A 434 0.963 5.682 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 434 2.544 6.675 4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 434 1.109 7.699 3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 434 1.262 6.717 5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 434 2.378 4.236 3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 434 1.080 4.161 5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 434 0.826 3.462 3.500 1.00 0.00 H new ATOM 976 N GLU A 435 -1.630 7.770 4.627 1.00 0.00 N ATOM 977 CA GLU A 435 -2.049 9.160 4.545 1.00 0.00 C ATOM 978 C GLU A 435 -0.856 10.064 4.814 1.00 0.00 C ATOM 979 O GLU A 435 -0.358 10.135 5.939 1.00 0.00 O ATOM 980 CB GLU A 435 -3.168 9.457 5.542 1.00 0.00 C ATOM 981 CG GLU A 435 -4.223 10.395 4.992 1.00 0.00 C ATOM 982 CD GLU A 435 -4.982 11.127 6.082 1.00 0.00 C ATOM 983 OE1 GLU A 435 -5.170 10.543 7.170 1.00 0.00 O ATOM 984 OE2 GLU A 435 -5.387 12.284 5.846 1.00 0.00 O ATOM 0 H GLU A 435 -1.690 7.362 5.560 1.00 0.00 H new ATOM 0 HA GLU A 435 -2.434 9.349 3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 435 -3.642 8.520 5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 435 -2.737 9.893 6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 435 -3.748 11.123 4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 435 -4.927 9.827 4.384 1.00 0.00 H new ATOM 991 N PHE A 436 -0.397 10.747 3.772 1.00 0.00 N ATOM 992 CA PHE A 436 0.753 11.632 3.888 1.00 0.00 C ATOM 993 C PHE A 436 0.336 13.046 4.275 1.00 0.00 C ATOM 994 O PHE A 436 -0.850 13.335 4.442 1.00 0.00 O ATOM 995 CB PHE A 436 1.522 11.665 2.568 1.00 0.00 C ATOM 996 CG PHE A 436 2.913 11.116 2.668 1.00 0.00 C ATOM 997 CD1 PHE A 436 3.127 9.753 2.794 1.00 0.00 C ATOM 998 CD2 PHE A 436 4.007 11.962 2.633 1.00 0.00 C ATOM 999 CE1 PHE A 436 4.407 9.244 2.884 1.00 0.00 C ATOM 1000 CE2 PHE A 436 5.290 11.461 2.722 1.00 0.00 C ATOM 1001 CZ PHE A 436 5.492 10.099 2.847 1.00 0.00 C ATOM 0 H PHE A 436 -0.804 10.704 2.838 1.00 0.00 H new ATOM 0 HA PHE A 436 1.395 11.241 4.678 1.00 0.00 H new ATOM 0 HB2 PHE A 436 0.969 11.096 1.821 1.00 0.00 H new ATOM 0 HB3 PHE A 436 1.572 12.694 2.212 1.00 0.00 H new ATOM 0 HD1 PHE A 436 2.282 9.081 2.822 1.00 0.00 H new ATOM 0 HD2 PHE A 436 3.855 13.027 2.535 1.00 0.00 H new ATOM 0 HE1 PHE A 436 4.560 8.180 2.983 1.00 0.00 H new ATOM 0 HE2 PHE A 436 6.135 12.132 2.694 1.00 0.00 H new ATOM 0 HZ PHE A 436 6.495 9.704 2.916 1.00 0.00 H new ATOM 1011 N THR A 437 1.326 13.922 4.417 1.00 0.00 N ATOM 1012 CA THR A 437 1.080 15.312 4.780 1.00 0.00 C ATOM 1013 C THR A 437 1.419 16.242 3.619 1.00 0.00 C ATOM 1014 O THR A 437 0.746 17.250 3.400 1.00 0.00 O ATOM 1015 CB THR A 437 1.911 15.725 6.011 1.00 0.00 C ATOM 1016 OG1 THR A 437 3.298 15.813 5.660 1.00 0.00 O ATOM 1017 CG2 THR A 437 1.736 14.725 7.144 1.00 0.00 C ATOM 0 H THR A 437 2.311 13.691 4.285 1.00 0.00 H new ATOM 0 HA THR A 437 0.021 15.399 5.021 1.00 0.00 H new ATOM 0 HB THR A 437 1.557 16.699 6.348 1.00 0.00 H new ATOM 0 HG1 THR A 437 3.712 14.928 5.738 1.00 0.00 H new ATOM 0 HG21 THR A 437 2.332 15.038 8.001 1.00 0.00 H new ATOM 0 HG22 THR A 437 0.685 14.679 7.430 1.00 0.00 H new ATOM 0 HG23 THR A 437 2.065 13.740 6.814 1.00 0.00 H new ATOM 1025 N SER A 438 2.468 15.893 2.877 1.00 0.00 N ATOM 1026 CA SER A 438 2.903 16.689 1.736 1.00 0.00 C ATOM 1027 C SER A 438 3.299 15.788 0.568 1.00 0.00 C ATOM 1028 O SER A 438 3.900 14.731 0.763 1.00 0.00 O ATOM 1029 CB SER A 438 4.080 17.584 2.129 1.00 0.00 C ATOM 1030 OG SER A 438 3.929 18.072 3.451 1.00 0.00 O ATOM 0 H SER A 438 3.033 15.061 3.048 1.00 0.00 H new ATOM 0 HA SER A 438 2.070 17.318 1.422 1.00 0.00 H new ATOM 0 HB2 SER A 438 5.011 17.022 2.049 1.00 0.00 H new ATOM 0 HB3 SER A 438 4.152 18.421 1.435 1.00 0.00 H new ATOM 0 HG SER A 438 4.694 18.640 3.679 1.00 0.00 H new ATOM 1036 N VAL A 439 2.963 16.215 -0.646 1.00 0.00 N ATOM 1037 CA VAL A 439 3.278 15.442 -1.843 1.00 0.00 C ATOM 1038 C VAL A 439 4.774 15.458 -2.143 1.00 0.00 C ATOM 1039 O VAL A 439 5.260 14.663 -2.946 1.00 0.00 O ATOM 1040 CB VAL A 439 2.522 15.970 -3.074 1.00 0.00 C ATOM 1041 CG1 VAL A 439 1.050 15.601 -2.997 1.00 0.00 C ATOM 1042 CG2 VAL A 439 2.696 17.476 -3.210 1.00 0.00 C ATOM 0 H VAL A 439 2.473 17.091 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 439 2.962 14.419 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 439 2.945 15.500 -3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 439 0.533 15.983 -3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 439 0.948 14.516 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 439 0.612 16.038 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 439 2.153 17.827 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 439 2.306 17.969 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 439 3.755 17.711 -3.320 1.00 0.00 H new ATOM 1052 N PHE A 440 5.499 16.366 -1.497 1.00 0.00 N ATOM 1053 CA PHE A 440 6.939 16.474 -1.705 1.00 0.00 C ATOM 1054 C PHE A 440 7.639 15.220 -1.201 1.00 0.00 C ATOM 1055 O PHE A 440 8.338 14.537 -1.952 1.00 0.00 O ATOM 1056 CB PHE A 440 7.491 17.706 -0.984 1.00 0.00 C ATOM 1057 CG PHE A 440 8.241 18.645 -1.883 1.00 0.00 C ATOM 1058 CD1 PHE A 440 7.562 19.471 -2.765 1.00 0.00 C ATOM 1059 CD2 PHE A 440 9.625 18.703 -1.847 1.00 0.00 C ATOM 1060 CE1 PHE A 440 8.251 20.337 -3.593 1.00 0.00 C ATOM 1061 CE2 PHE A 440 10.319 19.567 -2.673 1.00 0.00 C ATOM 1062 CZ PHE A 440 9.630 20.385 -3.547 1.00 0.00 C ATOM 0 H PHE A 440 5.116 17.034 -0.829 1.00 0.00 H new ATOM 0 HA PHE A 440 7.127 16.579 -2.773 1.00 0.00 H new ATOM 0 HB2 PHE A 440 6.665 18.244 -0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 440 8.152 17.380 -0.181 1.00 0.00 H new ATOM 0 HD1 PHE A 440 6.483 19.438 -2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 440 10.168 18.065 -1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 440 7.711 20.976 -4.276 1.00 0.00 H new ATOM 0 HE2 PHE A 440 11.398 19.602 -2.635 1.00 0.00 H new ATOM 0 HZ PHE A 440 10.169 21.061 -4.194 1.00 0.00 H new ATOM 1072 N ASP A 441 7.440 14.922 0.076 1.00 0.00 N ATOM 1073 CA ASP A 441 8.040 13.747 0.686 1.00 0.00 C ATOM 1074 C ASP A 441 7.371 12.484 0.161 1.00 0.00 C ATOM 1075 O ASP A 441 7.996 11.428 0.075 1.00 0.00 O ATOM 1076 CB ASP A 441 7.919 13.820 2.208 1.00 0.00 C ATOM 1077 CG ASP A 441 8.525 15.087 2.775 1.00 0.00 C ATOM 1078 OD1 ASP A 441 9.687 15.394 2.433 1.00 0.00 O ATOM 1079 OD2 ASP A 441 7.839 15.774 3.561 1.00 0.00 O ATOM 0 H ASP A 441 6.867 15.480 0.709 1.00 0.00 H new ATOM 0 HA ASP A 441 9.097 13.717 0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 441 6.867 13.766 2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 441 8.412 12.955 2.651 1.00 0.00 H new ATOM 1084 N CYS A 442 6.094 12.607 -0.196 1.00 0.00 N ATOM 1085 CA CYS A 442 5.335 11.484 -0.731 1.00 0.00 C ATOM 1086 C CYS A 442 5.984 10.993 -2.017 1.00 0.00 C ATOM 1087 O CYS A 442 6.093 9.790 -2.260 1.00 0.00 O ATOM 1088 CB CYS A 442 3.889 11.904 -1.002 1.00 0.00 C ATOM 1089 SG CYS A 442 2.664 10.620 -0.654 1.00 0.00 S ATOM 0 H CYS A 442 5.565 13.476 -0.123 1.00 0.00 H new ATOM 0 HA CYS A 442 5.333 10.676 0.001 1.00 0.00 H new ATOM 0 HB2 CYS A 442 3.659 12.782 -0.399 1.00 0.00 H new ATOM 0 HB3 CYS A 442 3.799 12.202 -2.047 1.00 0.00 H new ATOM 0 HG CYS A 442 2.621 10.396 0.626 1.00 0.00 H new ATOM 1095 N GLN A 443 6.412 11.947 -2.836 1.00 0.00 N ATOM 1096 CA GLN A 443 7.066 11.646 -4.100 1.00 0.00 C ATOM 1097 C GLN A 443 8.382 10.923 -3.859 1.00 0.00 C ATOM 1098 O GLN A 443 8.591 9.807 -4.334 1.00 0.00 O ATOM 1099 CB GLN A 443 7.336 12.941 -4.863 1.00 0.00 C ATOM 1100 CG GLN A 443 6.143 13.468 -5.639 1.00 0.00 C ATOM 1101 CD GLN A 443 6.180 14.977 -5.795 1.00 0.00 C ATOM 1102 OE1 GLN A 443 5.163 15.608 -6.082 1.00 0.00 O ATOM 1103 NE2 GLN A 443 7.360 15.564 -5.607 1.00 0.00 N ATOM 0 H GLN A 443 6.316 12.944 -2.643 1.00 0.00 H new ATOM 0 HA GLN A 443 6.409 11.003 -4.685 1.00 0.00 H new ATOM 0 HB2 GLN A 443 7.661 13.704 -4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 443 8.161 12.776 -5.556 1.00 0.00 H new ATOM 0 HG2 GLN A 443 6.119 13.003 -6.625 1.00 0.00 H new ATOM 0 HG3 GLN A 443 5.224 13.180 -5.129 1.00 0.00 H new ATOM 0 HE21 GLN A 443 8.177 15.002 -5.370 1.00 0.00 H new ATOM 0 HE22 GLN A 443 7.447 16.576 -5.700 1.00 0.00 H new ATOM 1112 N LYS A 444 9.266 11.575 -3.110 1.00 0.00 N ATOM 1113 CA LYS A 444 10.575 11.017 -2.800 1.00 0.00 C ATOM 1114 C LYS A 444 10.453 9.758 -1.942 1.00 0.00 C ATOM 1115 O LYS A 444 11.444 9.070 -1.695 1.00 0.00 O ATOM 1116 CB LYS A 444 11.430 12.064 -2.086 1.00 0.00 C ATOM 1117 CG LYS A 444 12.918 11.928 -2.365 1.00 0.00 C ATOM 1118 CD LYS A 444 13.421 13.045 -3.265 1.00 0.00 C ATOM 1119 CE LYS A 444 13.738 14.301 -2.470 1.00 0.00 C ATOM 1120 NZ LYS A 444 14.757 15.147 -3.151 1.00 0.00 N ATOM 0 H LYS A 444 9.097 12.496 -2.705 1.00 0.00 H new ATOM 0 HA LYS A 444 11.057 10.736 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 444 11.101 13.058 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 444 11.262 11.987 -1.012 1.00 0.00 H new ATOM 0 HG2 LYS A 444 13.468 11.942 -1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 444 13.114 10.964 -2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 444 14.314 12.713 -3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 444 12.669 13.272 -4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 444 12.825 14.879 -2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 444 14.100 14.022 -1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 444 14.945 15.993 -2.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 444 15.637 14.605 -3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 444 14.401 15.434 -4.085 1.00 0.00 H new ATOM 1134 N ALA A 445 9.237 9.460 -1.492 1.00 0.00 N ATOM 1135 CA ALA A 445 8.995 8.281 -0.670 1.00 0.00 C ATOM 1136 C ALA A 445 8.862 7.034 -1.536 1.00 0.00 C ATOM 1137 O ALA A 445 9.670 6.110 -1.439 1.00 0.00 O ATOM 1138 CB ALA A 445 7.746 8.469 0.179 1.00 0.00 C ATOM 0 H ALA A 445 8.406 10.019 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 445 9.851 8.149 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 445 7.581 7.579 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 445 7.875 9.333 0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 445 6.885 8.630 -0.470 1.00 0.00 H new ATOM 1144 N MET A 446 7.840 7.016 -2.386 1.00 0.00 N ATOM 1145 CA MET A 446 7.603 5.884 -3.273 1.00 0.00 C ATOM 1146 C MET A 446 8.728 5.751 -4.295 1.00 0.00 C ATOM 1147 O MET A 446 8.912 4.697 -4.898 1.00 0.00 O ATOM 1148 CB MET A 446 6.260 6.036 -3.990 1.00 0.00 C ATOM 1149 CG MET A 446 6.218 7.202 -4.964 1.00 0.00 C ATOM 1150 SD MET A 446 5.936 6.675 -6.667 1.00 0.00 S ATOM 1151 CE MET A 446 4.305 5.945 -6.532 1.00 0.00 C ATOM 0 H MET A 446 7.163 7.773 -2.479 1.00 0.00 H new ATOM 0 HA MET A 446 7.578 4.979 -2.665 1.00 0.00 H new ATOM 0 HB2 MET A 446 6.039 5.115 -4.529 1.00 0.00 H new ATOM 0 HB3 MET A 446 5.474 6.166 -3.247 1.00 0.00 H new ATOM 0 HG2 MET A 446 5.428 7.891 -4.666 1.00 0.00 H new ATOM 0 HG3 MET A 446 7.158 7.751 -4.908 1.00 0.00 H new ATOM 0 HE1 MET A 446 4.364 4.879 -6.754 1.00 0.00 H new ATOM 0 HE2 MET A 446 3.927 6.084 -5.519 1.00 0.00 H new ATOM 0 HE3 MET A 446 3.631 6.426 -7.241 1.00 0.00 H new ATOM 1161 N GLN A 447 9.484 6.828 -4.479 1.00 0.00 N ATOM 1162 CA GLN A 447 10.593 6.831 -5.428 1.00 0.00 C ATOM 1163 C GLN A 447 11.736 5.947 -4.938 1.00 0.00 C ATOM 1164 O GLN A 447 12.783 5.860 -5.581 1.00 0.00 O ATOM 1165 CB GLN A 447 11.097 8.257 -5.652 1.00 0.00 C ATOM 1166 CG GLN A 447 11.623 8.505 -7.058 1.00 0.00 C ATOM 1167 CD GLN A 447 13.041 9.041 -7.063 1.00 0.00 C ATOM 1168 OE1 GLN A 447 13.978 8.357 -6.650 1.00 0.00 O ATOM 1169 NE2 GLN A 447 13.207 10.272 -7.535 1.00 0.00 N ATOM 0 H GLN A 447 9.350 7.710 -3.984 1.00 0.00 H new ATOM 0 HA GLN A 447 10.228 6.429 -6.373 1.00 0.00 H new ATOM 0 HB2 GLN A 447 10.286 8.956 -5.448 1.00 0.00 H new ATOM 0 HB3 GLN A 447 11.889 8.470 -4.934 1.00 0.00 H new ATOM 0 HG2 GLN A 447 11.588 7.574 -7.625 1.00 0.00 H new ATOM 0 HG3 GLN A 447 10.969 9.213 -7.567 1.00 0.00 H new ATOM 0 HE21 GLN A 447 12.402 10.804 -7.867 1.00 0.00 H new ATOM 0 HE22 GLN A 447 14.139 10.685 -7.565 1.00 0.00 H new ATOM 1178 N GLY A 448 11.531 5.288 -3.799 1.00 0.00 N ATOM 1179 CA GLY A 448 12.557 4.423 -3.249 1.00 0.00 C ATOM 1180 C GLY A 448 12.008 3.101 -2.744 1.00 0.00 C ATOM 1181 O GLY A 448 12.723 2.098 -2.723 1.00 0.00 O ATOM 0 H GLY A 448 10.673 5.339 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 448 13.310 4.230 -4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 448 13.059 4.939 -2.430 1.00 0.00 H new ATOM 1185 N LEU A 449 10.741 3.094 -2.338 1.00 0.00 N ATOM 1186 CA LEU A 449 10.115 1.879 -1.825 1.00 0.00 C ATOM 1187 C LEU A 449 9.282 1.181 -2.898 1.00 0.00 C ATOM 1188 O LEU A 449 8.567 0.220 -2.612 1.00 0.00 O ATOM 1189 CB LEU A 449 9.244 2.198 -0.607 1.00 0.00 C ATOM 1190 CG LEU A 449 8.265 3.360 -0.782 1.00 0.00 C ATOM 1191 CD1 LEU A 449 6.902 2.848 -1.223 1.00 0.00 C ATOM 1192 CD2 LEU A 449 8.143 4.151 0.512 1.00 0.00 C ATOM 0 H LEU A 449 10.131 3.911 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 449 10.913 1.200 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 449 8.677 1.305 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 449 9.897 2.421 0.237 1.00 0.00 H new ATOM 0 HG LEU A 449 8.651 4.022 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 449 6.219 3.689 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 449 7.001 2.323 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 449 6.509 2.165 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 449 7.443 4.974 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 449 7.779 3.498 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 449 9.119 4.549 0.789 1.00 0.00 H new ATOM 1204 N THR A 450 9.379 1.666 -4.132 1.00 0.00 N ATOM 1205 CA THR A 450 8.640 1.074 -5.243 1.00 0.00 C ATOM 1206 C THR A 450 9.531 0.135 -6.049 1.00 0.00 C ATOM 1207 O THR A 450 10.680 0.459 -6.350 1.00 0.00 O ATOM 1208 CB THR A 450 8.061 2.154 -6.178 1.00 0.00 C ATOM 1209 OG1 THR A 450 7.119 2.962 -5.465 1.00 0.00 O ATOM 1210 CG2 THR A 450 7.378 1.525 -7.386 1.00 0.00 C ATOM 0 H THR A 450 9.960 2.465 -4.388 1.00 0.00 H new ATOM 0 HA THR A 450 7.815 0.508 -4.811 1.00 0.00 H new ATOM 0 HB THR A 450 8.886 2.774 -6.530 1.00 0.00 H new ATOM 0 HG1 THR A 450 7.578 3.740 -5.084 1.00 0.00 H new ATOM 0 HG21 THR A 450 6.979 2.310 -8.028 1.00 0.00 H new ATOM 0 HG22 THR A 450 8.102 0.932 -7.945 1.00 0.00 H new ATOM 0 HG23 THR A 450 6.564 0.882 -7.050 1.00 0.00 H new ATOM 1218 N GLY A 451 8.992 -1.029 -6.397 1.00 0.00 N ATOM 1219 CA GLY A 451 9.751 -2.000 -7.162 1.00 0.00 C ATOM 1220 C GLY A 451 10.617 -2.876 -6.279 1.00 0.00 C ATOM 1221 O GLY A 451 11.286 -3.791 -6.763 1.00 0.00 O ATOM 0 H GLY A 451 8.042 -1.317 -6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 451 9.065 -2.627 -7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 451 10.381 -1.479 -7.883 1.00 0.00 H new ATOM 1225 N ARG A 452 10.604 -2.596 -4.979 1.00 0.00 N ATOM 1226 CA ARG A 452 11.390 -3.364 -4.021 1.00 0.00 C ATOM 1227 C ARG A 452 10.703 -4.690 -3.698 1.00 0.00 C ATOM 1228 O ARG A 452 10.074 -5.298 -4.564 1.00 0.00 O ATOM 1229 CB ARG A 452 11.603 -2.551 -2.740 1.00 0.00 C ATOM 1230 CG ARG A 452 12.321 -1.230 -2.966 1.00 0.00 C ATOM 1231 CD ARG A 452 13.775 -1.443 -3.357 1.00 0.00 C ATOM 1232 NE ARG A 452 13.953 -1.472 -4.807 1.00 0.00 N ATOM 1233 CZ ARG A 452 14.317 -0.416 -5.527 1.00 0.00 C ATOM 1234 NH1 ARG A 452 14.543 0.750 -4.936 1.00 0.00 N ATOM 1235 NH2 ARG A 452 14.455 -0.524 -6.841 1.00 0.00 N ATOM 0 H ARG A 452 10.057 -1.841 -4.565 1.00 0.00 H new ATOM 0 HA ARG A 452 12.361 -3.581 -4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 452 10.635 -2.354 -2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 452 12.176 -3.149 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 452 11.812 -0.668 -3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 452 12.272 -0.629 -2.058 1.00 0.00 H new ATOM 0 HD2 ARG A 452 14.385 -0.646 -2.933 1.00 0.00 H new ATOM 0 HD3 ARG A 452 14.132 -2.380 -2.929 1.00 0.00 H new ATOM 0 HE ARG A 452 13.789 -2.353 -5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 452 14.438 0.838 -3.925 1.00 0.00 H new ATOM 0 HH12 ARG A 452 14.822 1.558 -5.492 1.00 0.00 H new ATOM 0 HH21 ARG A 452 14.282 -1.418 -7.300 1.00 0.00 H new ATOM 0 HH22 ARG A 452 14.734 0.287 -7.393 1.00 0.00 H new ATOM 1249 N LYS A 453 10.825 -5.134 -2.450 1.00 0.00 N ATOM 1250 CA LYS A 453 10.217 -6.387 -2.020 1.00 0.00 C ATOM 1251 C LYS A 453 9.951 -6.379 -0.519 1.00 0.00 C ATOM 1252 O LYS A 453 10.877 -6.258 0.283 1.00 0.00 O ATOM 1253 CB LYS A 453 11.122 -7.566 -2.381 1.00 0.00 C ATOM 1254 CG LYS A 453 10.430 -8.633 -3.213 1.00 0.00 C ATOM 1255 CD LYS A 453 11.360 -9.210 -4.267 1.00 0.00 C ATOM 1256 CE LYS A 453 10.669 -9.324 -5.617 1.00 0.00 C ATOM 1257 NZ LYS A 453 11.485 -8.725 -6.709 1.00 0.00 N ATOM 0 H LYS A 453 11.340 -4.643 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 453 9.264 -6.494 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 453 11.987 -7.194 -2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 453 11.497 -8.019 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 453 10.078 -9.432 -2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 453 9.552 -8.206 -3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 453 12.242 -8.577 -4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 453 11.706 -10.194 -3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 453 10.478 -10.374 -5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 453 9.700 -8.826 -5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 10.980 -8.822 -7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 11.646 -7.717 -6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 12.400 -9.216 -6.768 1.00 0.00 H new ATOM 1271 N PHE A 454 8.680 -6.504 -0.146 1.00 0.00 N ATOM 1272 CA PHE A 454 8.292 -6.515 1.260 1.00 0.00 C ATOM 1273 C PHE A 454 9.048 -7.603 2.017 1.00 0.00 C ATOM 1274 O PHE A 454 9.444 -7.413 3.167 1.00 0.00 O ATOM 1275 CB PHE A 454 6.781 -6.733 1.390 1.00 0.00 C ATOM 1276 CG PHE A 454 6.328 -7.041 2.791 1.00 0.00 C ATOM 1277 CD1 PHE A 454 6.191 -6.030 3.729 1.00 0.00 C ATOM 1278 CD2 PHE A 454 6.038 -8.342 3.167 1.00 0.00 C ATOM 1279 CE1 PHE A 454 5.773 -6.312 5.016 1.00 0.00 C ATOM 1280 CE2 PHE A 454 5.620 -8.631 4.452 1.00 0.00 C ATOM 1281 CZ PHE A 454 5.487 -7.614 5.377 1.00 0.00 C ATOM 0 H PHE A 454 7.902 -6.599 -0.799 1.00 0.00 H new ATOM 0 HA PHE A 454 8.548 -5.549 1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 454 6.263 -5.840 1.039 1.00 0.00 H new ATOM 0 HB3 PHE A 454 6.484 -7.552 0.734 1.00 0.00 H new ATOM 0 HD1 PHE A 454 6.413 -5.010 3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 454 6.140 -9.141 2.447 1.00 0.00 H new ATOM 0 HE1 PHE A 454 5.670 -5.515 5.738 1.00 0.00 H new ATOM 0 HE2 PHE A 454 5.398 -9.650 4.732 1.00 0.00 H new ATOM 0 HZ PHE A 454 5.160 -7.837 6.382 1.00 0.00 H new ATOM 1291 N ALA A 455 9.245 -8.742 1.360 1.00 0.00 N ATOM 1292 CA ALA A 455 9.953 -9.862 1.965 1.00 0.00 C ATOM 1293 C ALA A 455 10.357 -10.888 0.911 1.00 0.00 C ATOM 1294 O ALA A 455 11.451 -11.450 0.970 1.00 0.00 O ATOM 1295 CB ALA A 455 9.094 -10.512 3.039 1.00 0.00 C ATOM 0 H ALA A 455 8.923 -8.912 0.407 1.00 0.00 H new ATOM 0 HA ALA A 455 10.862 -9.479 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 455 9.636 -11.347 3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 455 8.861 -9.779 3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 455 8.168 -10.876 2.594 1.00 0.00 H new ATOM 1301 N ASN A 456 9.470 -11.128 -0.052 1.00 0.00 N ATOM 1302 CA ASN A 456 9.743 -12.087 -1.117 1.00 0.00 C ATOM 1303 C ASN A 456 8.774 -11.915 -2.285 1.00 0.00 C ATOM 1304 O ASN A 456 8.677 -12.784 -3.151 1.00 0.00 O ATOM 1305 CB ASN A 456 9.658 -13.517 -0.577 1.00 0.00 C ATOM 1306 CG ASN A 456 8.310 -13.819 0.049 1.00 0.00 C ATOM 1307 OD1 ASN A 456 7.289 -13.863 -0.637 1.00 0.00 O ATOM 1308 ND2 ASN A 456 8.302 -14.032 1.360 1.00 0.00 N ATOM 0 H ASN A 456 8.559 -10.673 -0.116 1.00 0.00 H new ATOM 0 HA ASN A 456 10.752 -11.898 -1.483 1.00 0.00 H new ATOM 0 HB2 ASN A 456 9.845 -14.221 -1.388 1.00 0.00 H new ATOM 0 HB3 ASN A 456 10.442 -13.670 0.164 1.00 0.00 H new ATOM 0 HD21 ASN A 456 7.425 -14.242 1.837 1.00 0.00 H new ATOM 0 HD22 ASN A 456 9.173 -13.986 1.890 1.00 0.00 H new ATOM 1315 N ARG A 457 8.060 -10.794 -2.304 1.00 0.00 N ATOM 1316 CA ARG A 457 7.106 -10.515 -3.364 1.00 0.00 C ATOM 1317 C ARG A 457 7.195 -9.056 -3.794 1.00 0.00 C ATOM 1318 O ARG A 457 7.394 -8.166 -2.966 1.00 0.00 O ATOM 1319 CB ARG A 457 5.686 -10.848 -2.897 1.00 0.00 C ATOM 1320 CG ARG A 457 5.057 -9.786 -2.004 1.00 0.00 C ATOM 1321 CD ARG A 457 5.736 -9.723 -0.645 1.00 0.00 C ATOM 1322 NE ARG A 457 4.824 -9.268 0.399 1.00 0.00 N ATOM 1323 CZ ARG A 457 3.983 -10.071 1.044 1.00 0.00 C ATOM 1324 NH1 ARG A 457 3.938 -11.363 0.750 1.00 0.00 N ATOM 1325 NH2 ARG A 457 3.186 -9.581 1.984 1.00 0.00 N ATOM 0 H ARG A 457 8.127 -10.064 -1.594 1.00 0.00 H new ATOM 0 HA ARG A 457 7.348 -11.141 -4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 457 5.052 -10.993 -3.772 1.00 0.00 H new ATOM 0 HB3 ARG A 457 5.706 -11.795 -2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 457 5.126 -8.813 -2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 457 3.997 -10.002 -1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 457 6.121 -10.709 -0.386 1.00 0.00 H new ATOM 0 HD3 ARG A 457 6.592 -9.050 -0.698 1.00 0.00 H new ATOM 0 HE ARG A 457 4.832 -8.279 0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 457 4.549 -11.743 0.028 1.00 0.00 H new ATOM 0 HH12 ARG A 457 3.292 -11.977 1.246 1.00 0.00 H new ATOM 0 HH21 ARG A 457 3.218 -8.587 2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 457 2.541 -10.198 2.478 1.00 0.00 H new ATOM 1339 N VAL A 458 7.051 -8.814 -5.092 1.00 0.00 N ATOM 1340 CA VAL A 458 7.120 -7.460 -5.621 1.00 0.00 C ATOM 1341 C VAL A 458 6.065 -6.567 -4.973 1.00 0.00 C ATOM 1342 O VAL A 458 4.998 -7.038 -4.576 1.00 0.00 O ATOM 1343 CB VAL A 458 6.962 -7.446 -7.160 1.00 0.00 C ATOM 1344 CG1 VAL A 458 5.606 -6.897 -7.585 1.00 0.00 C ATOM 1345 CG2 VAL A 458 8.089 -6.647 -7.793 1.00 0.00 C ATOM 0 H VAL A 458 6.886 -9.536 -5.794 1.00 0.00 H new ATOM 0 HA VAL A 458 8.107 -7.065 -5.378 1.00 0.00 H new ATOM 0 HB VAL A 458 7.016 -8.476 -7.511 1.00 0.00 H new ATOM 0 HG11 VAL A 458 5.535 -6.904 -8.673 1.00 0.00 H new ATOM 0 HG12 VAL A 458 4.814 -7.518 -7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 458 5.497 -5.875 -7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 458 7.969 -6.643 -8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 458 8.062 -5.623 -7.421 1.00 0.00 H new ATOM 0 HG23 VAL A 458 9.046 -7.101 -7.536 1.00 0.00 H new ATOM 1355 N VAL A 459 6.373 -5.281 -4.867 1.00 0.00 N ATOM 1356 CA VAL A 459 5.457 -4.322 -4.263 1.00 0.00 C ATOM 1357 C VAL A 459 4.976 -3.301 -5.291 1.00 0.00 C ATOM 1358 O VAL A 459 5.777 -2.589 -5.898 1.00 0.00 O ATOM 1359 CB VAL A 459 6.124 -3.592 -3.078 1.00 0.00 C ATOM 1360 CG1 VAL A 459 7.453 -2.984 -3.495 1.00 0.00 C ATOM 1361 CG2 VAL A 459 5.198 -2.528 -2.508 1.00 0.00 C ATOM 0 H VAL A 459 7.252 -4.877 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 459 4.597 -4.880 -3.894 1.00 0.00 H new ATOM 0 HB VAL A 459 6.319 -4.326 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 459 7.904 -2.475 -2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 459 8.121 -3.772 -3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 459 7.289 -2.268 -4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 459 5.689 -2.027 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 459 4.963 -1.798 -3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 459 4.278 -2.996 -2.159 1.00 0.00 H new ATOM 1371 N VAL A 460 3.662 -3.238 -5.487 1.00 0.00 N ATOM 1372 CA VAL A 460 3.076 -2.305 -6.440 1.00 0.00 C ATOM 1373 C VAL A 460 2.468 -1.101 -5.724 1.00 0.00 C ATOM 1374 O VAL A 460 1.508 -1.234 -4.966 1.00 0.00 O ATOM 1375 CB VAL A 460 1.999 -2.987 -7.309 1.00 0.00 C ATOM 1376 CG1 VAL A 460 1.084 -3.841 -6.450 1.00 0.00 C ATOM 1377 CG2 VAL A 460 1.200 -1.956 -8.094 1.00 0.00 C ATOM 0 H VAL A 460 2.984 -3.823 -4.998 1.00 0.00 H new ATOM 0 HA VAL A 460 3.882 -1.964 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 460 2.501 -3.637 -8.026 1.00 0.00 H new ATOM 0 HG11 VAL A 460 0.331 -4.314 -7.080 1.00 0.00 H new ATOM 0 HG12 VAL A 460 1.670 -4.609 -5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 460 0.593 -3.213 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 460 0.447 -2.462 -8.699 1.00 0.00 H new ATOM 0 HG22 VAL A 460 0.709 -1.272 -7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 460 1.870 -1.395 -8.745 1.00 0.00 H new ATOM 1387 N THR A 461 3.040 0.074 -5.971 1.00 0.00 N ATOM 1388 CA THR A 461 2.561 1.303 -5.350 1.00 0.00 C ATOM 1389 C THR A 461 1.645 2.078 -6.292 1.00 0.00 C ATOM 1390 O THR A 461 1.800 2.019 -7.512 1.00 0.00 O ATOM 1391 CB THR A 461 3.731 2.213 -4.935 1.00 0.00 C ATOM 1392 OG1 THR A 461 4.596 2.439 -6.054 1.00 0.00 O ATOM 1393 CG2 THR A 461 4.521 1.593 -3.793 1.00 0.00 C ATOM 0 H THR A 461 3.836 0.200 -6.597 1.00 0.00 H new ATOM 0 HA THR A 461 2.001 1.009 -4.462 1.00 0.00 H new ATOM 0 HB THR A 461 3.320 3.164 -4.596 1.00 0.00 H new ATOM 0 HG1 THR A 461 5.394 2.925 -5.758 1.00 0.00 H new ATOM 0 HG21 THR A 461 5.342 2.255 -3.518 1.00 0.00 H new ATOM 0 HG22 THR A 461 3.866 1.450 -2.933 1.00 0.00 H new ATOM 0 HG23 THR A 461 4.921 0.630 -4.109 1.00 0.00 H new ATOM 1401 N LYS A 462 0.694 2.806 -5.715 1.00 0.00 N ATOM 1402 CA LYS A 462 -0.248 3.595 -6.500 1.00 0.00 C ATOM 1403 C LYS A 462 -0.718 4.815 -5.715 1.00 0.00 C ATOM 1404 O LYS A 462 -1.250 4.689 -4.612 1.00 0.00 O ATOM 1405 CB LYS A 462 -1.451 2.740 -6.904 1.00 0.00 C ATOM 1406 CG LYS A 462 -1.312 2.101 -8.277 1.00 0.00 C ATOM 1407 CD LYS A 462 -1.586 3.102 -9.388 1.00 0.00 C ATOM 1408 CE LYS A 462 -0.473 3.103 -10.422 1.00 0.00 C ATOM 1409 NZ LYS A 462 -0.994 2.887 -11.800 1.00 0.00 N ATOM 0 H LYS A 462 0.556 2.866 -4.706 1.00 0.00 H new ATOM 0 HA LYS A 462 0.263 3.937 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 462 -1.594 1.956 -6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 462 -2.347 3.360 -6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 462 -0.307 1.696 -8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 462 -2.005 1.264 -8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 462 -2.533 2.861 -9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 462 -1.690 4.100 -8.963 1.00 0.00 H new ATOM 0 HE2 LYS A 462 0.060 4.053 -10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 462 0.248 2.322 -10.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 -0.203 2.895 -12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 -1.481 1.969 -11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 -1.663 3.646 -12.041 1.00 0.00 H new ATOM 1423 N TYR A 463 -0.513 5.996 -6.289 1.00 0.00 N ATOM 1424 CA TYR A 463 -0.914 7.243 -5.647 1.00 0.00 C ATOM 1425 C TYR A 463 -2.431 7.323 -5.498 1.00 0.00 C ATOM 1426 O TYR A 463 -3.168 7.171 -6.473 1.00 0.00 O ATOM 1427 CB TYR A 463 -0.407 8.439 -6.457 1.00 0.00 C ATOM 1428 CG TYR A 463 0.772 9.150 -5.829 1.00 0.00 C ATOM 1429 CD1 TYR A 463 1.834 8.435 -5.287 1.00 0.00 C ATOM 1430 CD2 TYR A 463 0.824 10.538 -5.780 1.00 0.00 C ATOM 1431 CE1 TYR A 463 2.912 9.082 -4.716 1.00 0.00 C ATOM 1432 CE2 TYR A 463 1.900 11.192 -5.211 1.00 0.00 C ATOM 1433 CZ TYR A 463 2.940 10.460 -4.680 1.00 0.00 C ATOM 1434 OH TYR A 463 4.012 11.108 -4.113 1.00 0.00 O ATOM 0 H TYR A 463 -0.070 6.116 -7.200 1.00 0.00 H new ATOM 0 HA TYR A 463 -0.471 7.267 -4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 463 -0.124 8.097 -7.453 1.00 0.00 H new ATOM 0 HB3 TYR A 463 -1.222 9.151 -6.584 1.00 0.00 H new ATOM 0 HD1 TYR A 463 1.816 7.355 -5.313 1.00 0.00 H new ATOM 0 HD2 TYR A 463 0.010 11.115 -6.193 1.00 0.00 H new ATOM 0 HE1 TYR A 463 3.729 8.512 -4.300 1.00 0.00 H new ATOM 0 HE2 TYR A 463 1.926 12.271 -5.183 1.00 0.00 H new ATOM 0 HH TYR A 463 3.808 12.062 -4.024 1.00 0.00 H new ATOM 1444 N CYS A 464 -2.889 7.560 -4.272 1.00 0.00 N ATOM 1445 CA CYS A 464 -4.317 7.666 -3.995 1.00 0.00 C ATOM 1446 C CYS A 464 -4.735 9.124 -3.832 1.00 0.00 C ATOM 1447 O CYS A 464 -3.989 9.940 -3.284 1.00 0.00 O ATOM 1448 CB CYS A 464 -4.676 6.874 -2.735 1.00 0.00 C ATOM 1449 SG CYS A 464 -5.750 5.452 -3.037 1.00 0.00 S ATOM 0 H CYS A 464 -2.291 7.682 -3.455 1.00 0.00 H new ATOM 0 HA CYS A 464 -4.857 7.246 -4.844 1.00 0.00 H new ATOM 0 HB2 CYS A 464 -3.757 6.527 -2.263 1.00 0.00 H new ATOM 0 HB3 CYS A 464 -5.166 7.542 -2.027 1.00 0.00 H new ATOM 0 HG CYS A 464 -5.519 4.536 -2.144 1.00 0.00 H new ATOM 1455 N ASP A 465 -5.933 9.445 -4.311 1.00 0.00 N ATOM 1456 CA ASP A 465 -6.453 10.805 -4.225 1.00 0.00 C ATOM 1457 C ASP A 465 -7.337 10.977 -2.991 1.00 0.00 C ATOM 1458 O ASP A 465 -7.958 10.020 -2.528 1.00 0.00 O ATOM 1459 CB ASP A 465 -7.250 11.149 -5.485 1.00 0.00 C ATOM 1460 CG ASP A 465 -7.003 10.168 -6.614 1.00 0.00 C ATOM 1461 OD1 ASP A 465 -7.604 9.073 -6.591 1.00 0.00 O ATOM 1462 OD2 ASP A 465 -6.209 10.494 -7.520 1.00 0.00 O ATOM 0 H ASP A 465 -6.562 8.781 -4.763 1.00 0.00 H new ATOM 0 HA ASP A 465 -5.605 11.484 -4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 465 -8.313 11.163 -5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 465 -6.985 12.153 -5.816 1.00 0.00 H new ATOM 1467 N PRO A 466 -7.405 12.205 -2.438 1.00 0.00 N ATOM 1468 CA PRO A 466 -8.219 12.499 -1.256 1.00 0.00 C ATOM 1469 C PRO A 466 -9.684 12.126 -1.458 1.00 0.00 C ATOM 1470 O PRO A 466 -10.458 12.078 -0.503 1.00 0.00 O ATOM 1471 CB PRO A 466 -8.076 14.016 -1.069 1.00 0.00 C ATOM 1472 CG PRO A 466 -7.504 14.523 -2.345 1.00 0.00 C ATOM 1473 CD PRO A 466 -6.690 13.398 -2.911 1.00 0.00 C ATOM 0 HA PRO A 466 -7.889 11.924 -0.391 1.00 0.00 H new ATOM 0 HB2 PRO A 466 -9.041 14.478 -0.861 1.00 0.00 H new ATOM 0 HB3 PRO A 466 -7.423 14.248 -0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 466 -8.294 14.819 -3.036 1.00 0.00 H new ATOM 0 HG3 PRO A 466 -6.885 15.403 -2.172 1.00 0.00 H new ATOM 0 HD2 PRO A 466 -6.647 13.438 -3.999 1.00 0.00 H new ATOM 0 HD3 PRO A 466 -5.662 13.422 -2.550 1.00 0.00 H new ATOM 1481 N ASP A 467 -10.060 11.871 -2.708 1.00 0.00 N ATOM 1482 CA ASP A 467 -11.432 11.500 -3.031 1.00 0.00 C ATOM 1483 C ASP A 467 -11.695 10.037 -2.690 1.00 0.00 C ATOM 1484 O ASP A 467 -12.344 9.733 -1.689 1.00 0.00 O ATOM 1485 CB ASP A 467 -11.717 11.753 -4.514 1.00 0.00 C ATOM 1486 CG ASP A 467 -12.783 12.810 -4.726 1.00 0.00 C ATOM 1487 OD1 ASP A 467 -13.976 12.498 -4.526 1.00 0.00 O ATOM 1488 OD2 ASP A 467 -12.424 13.950 -5.090 1.00 0.00 O ATOM 0 H ASP A 467 -9.434 11.915 -3.512 1.00 0.00 H new ATOM 0 HA ASP A 467 -12.100 12.118 -2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 467 -10.797 12.064 -5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 467 -12.034 10.822 -4.984 1.00 0.00 H new ATOM 1493 N SER A 468 -11.183 9.135 -3.526 1.00 0.00 N ATOM 1494 CA SER A 468 -11.364 7.700 -3.319 1.00 0.00 C ATOM 1495 C SER A 468 -10.919 7.281 -1.921 1.00 0.00 C ATOM 1496 O SER A 468 -11.614 6.525 -1.236 1.00 0.00 O ATOM 1497 CB SER A 468 -10.584 6.909 -4.371 1.00 0.00 C ATOM 1498 OG SER A 468 -10.505 7.623 -5.592 1.00 0.00 O ATOM 0 H SER A 468 -10.638 9.374 -4.355 1.00 0.00 H new ATOM 0 HA SER A 468 -12.427 7.481 -3.419 1.00 0.00 H new ATOM 0 HB2 SER A 468 -9.580 6.700 -4.003 1.00 0.00 H new ATOM 0 HB3 SER A 468 -11.068 5.947 -4.540 1.00 0.00 H new ATOM 0 HG SER A 468 -10.000 7.097 -6.247 1.00 0.00 H new ATOM 1504 N TYR A 469 -9.759 7.775 -1.498 1.00 0.00 N ATOM 1505 CA TYR A 469 -9.231 7.447 -0.183 1.00 0.00 C ATOM 1506 C TYR A 469 -10.276 7.735 0.891 1.00 0.00 C ATOM 1507 O TYR A 469 -10.582 6.877 1.720 1.00 0.00 O ATOM 1508 CB TYR A 469 -7.952 8.244 0.093 1.00 0.00 C ATOM 1509 CG TYR A 469 -7.723 8.521 1.558 1.00 0.00 C ATOM 1510 CD1 TYR A 469 -7.260 7.525 2.403 1.00 0.00 C ATOM 1511 CD2 TYR A 469 -7.989 9.771 2.098 1.00 0.00 C ATOM 1512 CE1 TYR A 469 -7.063 7.766 3.747 1.00 0.00 C ATOM 1513 CE2 TYR A 469 -7.797 10.021 3.441 1.00 0.00 C ATOM 1514 CZ TYR A 469 -7.333 9.015 4.262 1.00 0.00 C ATOM 1515 OH TYR A 469 -7.142 9.259 5.603 1.00 0.00 O ATOM 0 H TYR A 469 -9.170 8.402 -2.047 1.00 0.00 H new ATOM 0 HA TYR A 469 -8.989 6.384 -0.160 1.00 0.00 H new ATOM 0 HB2 TYR A 469 -7.098 7.695 -0.303 1.00 0.00 H new ATOM 0 HB3 TYR A 469 -7.999 9.191 -0.445 1.00 0.00 H new ATOM 0 HD1 TYR A 469 -7.050 6.544 2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 469 -8.352 10.561 1.457 1.00 0.00 H new ATOM 0 HE1 TYR A 469 -6.699 6.980 4.392 1.00 0.00 H new ATOM 0 HE2 TYR A 469 -8.009 10.999 3.847 1.00 0.00 H new ATOM 0 HH TYR A 469 -6.418 8.691 5.939 1.00 0.00 H new ATOM 1525 N HIS A 470 -10.808 8.953 0.873 1.00 0.00 N ATOM 1526 CA HIS A 470 -11.830 9.360 1.832 1.00 0.00 C ATOM 1527 C HIS A 470 -13.015 8.398 1.794 1.00 0.00 C ATOM 1528 O HIS A 470 -13.627 8.113 2.822 1.00 0.00 O ATOM 1529 CB HIS A 470 -12.302 10.783 1.536 1.00 0.00 C ATOM 1530 CG HIS A 470 -13.085 11.402 2.654 1.00 0.00 C ATOM 1531 ND1 HIS A 470 -14.387 11.834 2.513 1.00 0.00 N ATOM 1532 CD2 HIS A 470 -12.742 11.661 3.938 1.00 0.00 C ATOM 1533 CE1 HIS A 470 -14.810 12.334 3.660 1.00 0.00 C ATOM 1534 NE2 HIS A 470 -13.831 12.240 4.541 1.00 0.00 N ATOM 0 H HIS A 470 -10.548 9.677 0.203 1.00 0.00 H new ATOM 0 HA HIS A 470 -11.392 9.335 2.830 1.00 0.00 H new ATOM 0 HB2 HIS A 470 -11.434 11.407 1.323 1.00 0.00 H new ATOM 0 HB3 HIS A 470 -12.917 10.773 0.636 1.00 0.00 H new ATOM 0 HD2 HIS A 470 -11.789 11.451 4.401 1.00 0.00 H new ATOM 0 HE1 HIS A 470 -15.790 12.749 3.846 1.00 0.00 H new ATOM 0 HE2 HIS A 470 -13.876 12.548 5.512 1.00 0.00 H new ATOM 1543 N ARG A 471 -13.333 7.904 0.599 1.00 0.00 N ATOM 1544 CA ARG A 471 -14.439 6.968 0.430 1.00 0.00 C ATOM 1545 C ARG A 471 -14.160 5.675 1.183 1.00 0.00 C ATOM 1546 O ARG A 471 -15.083 4.965 1.582 1.00 0.00 O ATOM 1547 CB ARG A 471 -14.670 6.666 -1.054 1.00 0.00 C ATOM 1548 CG ARG A 471 -14.936 7.893 -1.899 1.00 0.00 C ATOM 1549 CD ARG A 471 -16.132 8.663 -1.380 1.00 0.00 C ATOM 1550 NE ARG A 471 -17.036 9.065 -2.455 1.00 0.00 N ATOM 1551 CZ ARG A 471 -18.356 8.908 -2.408 1.00 0.00 C ATOM 1552 NH1 ARG A 471 -18.925 8.359 -1.343 1.00 0.00 N ATOM 1553 NH2 ARG A 471 -19.107 9.301 -3.427 1.00 0.00 N ATOM 0 H ARG A 471 -12.841 8.136 -0.264 1.00 0.00 H new ATOM 0 HA ARG A 471 -15.339 7.429 0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -13.796 6.148 -1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -15.514 5.983 -1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -14.057 8.537 -1.898 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -15.112 7.595 -2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -16.674 8.048 -0.662 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -15.788 9.549 -0.846 1.00 0.00 H new ATOM 0 HE ARG A 471 -16.632 9.490 -3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -18.350 8.056 -0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -19.938 8.240 -1.310 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -18.673 9.724 -4.247 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -20.119 9.181 -3.391 1.00 0.00 H new ATOM 1567 N ARG A 472 -12.875 5.375 1.366 1.00 0.00 N ATOM 1568 CA ARG A 472 -12.460 4.170 2.078 1.00 0.00 C ATOM 1569 C ARG A 472 -12.917 2.919 1.338 1.00 0.00 C ATOM 1570 O ARG A 472 -13.387 1.958 1.950 1.00 0.00 O ATOM 1571 CB ARG A 472 -13.015 4.168 3.506 1.00 0.00 C ATOM 1572 CG ARG A 472 -12.769 5.466 4.258 1.00 0.00 C ATOM 1573 CD ARG A 472 -11.911 5.240 5.491 1.00 0.00 C ATOM 1574 NE ARG A 472 -12.717 5.101 6.702 1.00 0.00 N ATOM 1575 CZ ARG A 472 -12.240 4.646 7.857 1.00 0.00 C ATOM 1576 NH1 ARG A 472 -10.968 4.283 7.956 1.00 0.00 N ATOM 1577 NH2 ARG A 472 -13.035 4.554 8.913 1.00 0.00 N ATOM 0 H ARG A 472 -12.103 5.951 1.030 1.00 0.00 H new ATOM 0 HA ARG A 472 -11.371 4.166 2.126 1.00 0.00 H new ATOM 0 HB2 ARG A 472 -14.088 3.977 3.469 1.00 0.00 H new ATOM 0 HB3 ARG A 472 -12.564 3.346 4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 472 -12.279 6.183 3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 472 -13.723 5.904 4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 472 -11.307 4.343 5.353 1.00 0.00 H new ATOM 0 HD3 ARG A 472 -11.220 6.075 5.609 1.00 0.00 H new ATOM 0 HE ARG A 472 -13.701 5.368 6.659 1.00 0.00 H new ATOM 0 HH11 ARG A 472 -10.353 4.353 7.145 1.00 0.00 H new ATOM 0 HH12 ARG A 472 -10.605 3.934 8.843 1.00 0.00 H new ATOM 0 HH21 ARG A 472 -14.014 4.832 8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 472 -12.668 4.205 9.799 1.00 0.00 H new ATOM 1591 N ASP A 473 -12.780 2.945 0.014 1.00 0.00 N ATOM 1592 CA ASP A 473 -13.166 1.816 -0.827 1.00 0.00 C ATOM 1593 C ASP A 473 -12.602 0.504 -0.284 1.00 0.00 C ATOM 1594 O ASP A 473 -13.145 -0.571 -0.542 1.00 0.00 O ATOM 1595 CB ASP A 473 -12.677 2.041 -2.260 1.00 0.00 C ATOM 1596 CG ASP A 473 -12.655 0.764 -3.076 1.00 0.00 C ATOM 1597 OD1 ASP A 473 -13.741 0.296 -3.477 1.00 0.00 O ATOM 1598 OD2 ASP A 473 -11.551 0.229 -3.314 1.00 0.00 O ATOM 0 H ASP A 473 -12.402 3.740 -0.501 1.00 0.00 H new ATOM 0 HA ASP A 473 -14.254 1.746 -0.822 1.00 0.00 H new ATOM 0 HB2 ASP A 473 -13.323 2.770 -2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 473 -11.675 2.469 -2.235 1.00 0.00 H new ATOM 1823 N TRP B 22 11.809 -3.990 2.194 1.00 0.00 N ATOM 1824 CA TRP B 22 12.323 -3.447 0.939 1.00 0.00 C ATOM 1825 C TRP B 22 13.695 -4.029 0.610 1.00 0.00 C ATOM 1826 O TRP B 22 14.710 -3.334 0.675 1.00 0.00 O ATOM 1827 CB TRP B 22 12.408 -1.920 1.012 1.00 0.00 C ATOM 1828 CG TRP B 22 11.260 -1.294 1.742 1.00 0.00 C ATOM 1829 CD1 TRP B 22 11.290 -0.723 2.981 1.00 0.00 C ATOM 1830 CD2 TRP B 22 9.909 -1.179 1.280 1.00 0.00 C ATOM 1831 NE1 TRP B 22 10.043 -0.258 3.317 1.00 0.00 N ATOM 1832 CE2 TRP B 22 9.178 -0.524 2.289 1.00 0.00 C ATOM 1833 CE3 TRP B 22 9.247 -1.563 0.110 1.00 0.00 C ATOM 1834 CZ2 TRP B 22 7.817 -0.247 2.164 1.00 0.00 C ATOM 1835 CZ3 TRP B 22 7.897 -1.287 -0.013 1.00 0.00 C ATOM 1836 CH2 TRP B 22 7.197 -0.634 1.009 1.00 0.00 C ATOM 0 HA TRP B 22 11.631 -3.728 0.145 1.00 0.00 H new ATOM 0 HB2 TRP B 22 13.339 -1.639 1.505 1.00 0.00 H new ATOM 0 HB3 TRP B 22 12.448 -1.517 0.000 1.00 0.00 H new ATOM 0 HD1 TRP B 22 12.167 -0.648 3.606 1.00 0.00 H new ATOM 0 HE1 TRP B 22 9.800 0.210 4.190 1.00 0.00 H new ATOM 0 HE3 TRP B 22 9.780 -2.066 -0.683 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 7.273 0.255 2.951 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 7.375 -1.580 -0.912 1.00 0.00 H new ATOM 0 HH2 TRP B 22 6.144 -0.432 0.882 1.00 0.00 H new ATOM 1847 N ASN B 23 13.716 -5.310 0.259 1.00 0.00 N ATOM 1848 CA ASN B 23 14.960 -5.990 -0.084 1.00 0.00 C ATOM 1849 C ASN B 23 15.429 -5.587 -1.480 1.00 0.00 C ATOM 1850 O ASN B 23 15.016 -4.556 -2.009 1.00 0.00 O ATOM 1851 CB ASN B 23 14.771 -7.507 -0.011 1.00 0.00 C ATOM 1852 CG ASN B 23 15.922 -8.201 0.693 1.00 0.00 C ATOM 1853 OD1 ASN B 23 17.033 -7.676 0.757 1.00 0.00 O ATOM 1854 ND2 ASN B 23 15.659 -9.388 1.226 1.00 0.00 N ATOM 0 H ASN B 23 12.885 -5.899 0.204 1.00 0.00 H new ATOM 0 HA ASN B 23 15.723 -5.692 0.636 1.00 0.00 H new ATOM 0 HB2 ASN B 23 13.841 -7.730 0.513 1.00 0.00 H new ATOM 0 HB3 ASN B 23 14.672 -7.907 -1.020 1.00 0.00 H new ATOM 0 HD21 ASN B 23 16.393 -9.902 1.713 1.00 0.00 H new ATOM 0 HD22 ASN B 23 14.723 -9.786 1.149 1.00 0.00 H new