USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 576 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 476 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0.034) USER MOD Set 1.2: A 497 SER OG : rot 150:sc= 0 USER MOD Set 1.3: A 499 SER OG : rot 180:sc= 0.034 USER MOD Set 2.1: A 496 TYR OH : rot 150:sc= -0.24 USER MOD Set 2.2: A 505 TYR OH : rot 125:sc= 0.833 USER MOD Set 3.1: A 440 HIS : no HE2:sc= -11.8! C(o=-11!,f=-16!) USER MOD Set 3.2: A 449 THR OG1 : rot -121:sc= 0.369 USER MOD Single : A 424 ASN : amide:sc= -2.36! C(o=-2.4!,f=-2.5!) USER MOD Single : A 425 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.012) USER MOD Single : A 427 THR OG1 : rot 180:sc= -2.27! USER MOD Single : A 429 TYR OH : rot 180:sc= -0.462 USER MOD Single : A 430 TYR OH : rot 31:sc= -0.874! USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 LYS NZ :NH3+ -106:sc= 0.856 (180deg=-0.938) USER MOD Single : A 435 ASN :FLIP amide:sc= -4.02! C(o=-7.2!,f=-4!) USER MOD Single : A 436 SER OG : rot -58:sc= 0.798 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl -161:sc= -4.12 (180deg=-5.5!) USER MOD Single : A 457 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 462 SER OG : rot 77:sc= 1.04 USER MOD Single : A 464 TYR OH : rot 180:sc= 0 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 THR OG1 : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 475 SER OG : rot 28:sc= 0.138! USER MOD Single : A 482 ASN : amide:sc= -3.38! C(o=-3.4!,f=-4.6!) USER MOD Single : A 495 ASN : amide:sc= -10.6! C(o=-11!,f=-16!) USER MOD Single : A 500 THR OG1 : rot 34:sc= 0.00967 USER MOD Single : A 502 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 503 SER OG : rot 140:sc= -0.207 USER MOD Single : A 504 THR OG1 : rot 115:sc= -1.09 USER MOD Single : A 506 THR OG1 : rot 180:sc= 0 USER MOD Single : A 515 THR OG1 : rot 44:sc= -0.0486 USER MOD Single : A 517 THR OG1 : rot -175:sc= -1.72! USER MOD Single : A 518 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N ASN A 424 -10.190 -3.026 13.252 1.00 0.00 N ATOM 37 CA ASN A 424 -9.091 -2.086 13.109 1.00 0.00 C ATOM 38 C ASN A 424 -9.016 -1.613 11.656 1.00 0.00 C ATOM 39 O ASN A 424 -9.596 -2.233 10.767 1.00 0.00 O ATOM 40 CB ASN A 424 -7.755 -2.744 13.462 1.00 0.00 C ATOM 41 CG ASN A 424 -7.255 -2.270 14.828 1.00 0.00 C ATOM 42 OD1 ASN A 424 -6.936 -1.111 15.033 1.00 0.00 O ATOM 43 ND2 ASN A 424 -7.204 -3.230 15.747 1.00 0.00 N ATOM 0 HA ASN A 424 -9.271 -1.250 13.785 1.00 0.00 H new ATOM 0 HB2 ASN A 424 -7.870 -3.828 13.469 1.00 0.00 H new ATOM 0 HB3 ASN A 424 -7.015 -2.507 12.697 1.00 0.00 H new ATOM 0 HD21 ASN A 424 -6.883 -3.016 16.691 1.00 0.00 H new ATOM 0 HD22 ASN A 424 -7.486 -4.181 15.508 1.00 0.00 H new ATOM 50 N LYS A 425 -8.297 -0.517 11.461 1.00 0.00 N ATOM 51 CA LYS A 425 -8.140 0.047 10.131 1.00 0.00 C ATOM 52 C LYS A 425 -6.650 0.149 9.798 1.00 0.00 C ATOM 53 O LYS A 425 -5.818 0.280 10.694 1.00 0.00 O ATOM 54 CB LYS A 425 -8.886 1.379 10.022 1.00 0.00 C ATOM 55 CG LYS A 425 -10.353 1.156 9.649 1.00 0.00 C ATOM 56 CD LYS A 425 -10.562 1.295 8.140 1.00 0.00 C ATOM 57 CE LYS A 425 -10.931 2.732 7.767 1.00 0.00 C ATOM 58 NZ LYS A 425 -11.258 2.826 6.327 1.00 0.00 N ATOM 0 H LYS A 425 -7.817 -0.005 12.201 1.00 0.00 H new ATOM 0 HA LYS A 425 -8.591 -0.607 9.385 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -8.825 1.913 10.970 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -8.407 2.008 9.271 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -10.668 0.164 9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -10.979 1.877 10.174 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -9.653 1.001 7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -11.351 0.617 7.815 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -11.783 3.061 8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -10.102 3.399 8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -11.423 3.821 6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -10.466 2.452 5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -12.115 2.271 6.129 1.00 0.00 H new ATOM 71 N VAL A 426 -6.359 0.083 8.507 1.00 0.00 N ATOM 72 CA VAL A 426 -4.984 0.165 8.045 1.00 0.00 C ATOM 73 C VAL A 426 -4.873 1.259 6.982 1.00 0.00 C ATOM 74 O VAL A 426 -5.686 1.320 6.061 1.00 0.00 O ATOM 75 CB VAL A 426 -4.517 -1.204 7.546 1.00 0.00 C ATOM 76 CG1 VAL A 426 -3.217 -1.082 6.749 1.00 0.00 C ATOM 77 CG2 VAL A 426 -4.358 -2.186 8.708 1.00 0.00 C ATOM 0 H VAL A 426 -7.052 -0.026 7.767 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.321 0.440 8.865 1.00 0.00 H new ATOM 0 HB VAL A 426 -5.284 -1.597 6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -2.907 -2.069 6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -3.377 -0.432 5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -2.439 -0.658 7.384 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -4.025 -3.151 8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -3.620 -1.801 9.412 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -5.315 -2.307 9.216 1.00 0.00 H new ATOM 87 N THR A 427 -3.859 2.097 7.144 1.00 0.00 N ATOM 88 CA THR A 427 -3.630 3.186 6.209 1.00 0.00 C ATOM 89 C THR A 427 -2.231 3.082 5.601 1.00 0.00 C ATOM 90 O THR A 427 -1.251 2.887 6.318 1.00 0.00 O ATOM 91 CB THR A 427 -3.875 4.502 6.949 1.00 0.00 C ATOM 92 OG1 THR A 427 -5.268 4.477 7.252 1.00 0.00 O ATOM 93 CG2 THR A 427 -3.714 5.723 6.040 1.00 0.00 C ATOM 0 H THR A 427 -3.187 2.044 7.909 1.00 0.00 H new ATOM 0 HA THR A 427 -4.320 3.136 5.367 1.00 0.00 H new ATOM 0 HB THR A 427 -3.184 4.580 7.789 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.513 5.294 7.734 1.00 0.00 H new ATOM 0 HG21 THR A 427 -3.899 6.631 6.614 1.00 0.00 H new ATOM 0 HG22 THR A 427 -2.701 5.747 5.639 1.00 0.00 H new ATOM 0 HG23 THR A 427 -4.428 5.662 5.219 1.00 0.00 H new ATOM 101 N ILE A 428 -2.181 3.216 4.284 1.00 0.00 N ATOM 102 CA ILE A 428 -0.918 3.140 3.570 1.00 0.00 C ATOM 103 C ILE A 428 -0.816 4.314 2.595 1.00 0.00 C ATOM 104 O ILE A 428 -1.681 4.491 1.738 1.00 0.00 O ATOM 105 CB ILE A 428 -0.760 1.771 2.904 1.00 0.00 C ATOM 106 CG1 ILE A 428 -0.187 0.747 3.885 1.00 0.00 C ATOM 107 CG2 ILE A 428 0.078 1.875 1.629 1.00 0.00 C ATOM 108 CD1 ILE A 428 -1.021 -0.536 3.889 1.00 0.00 C ATOM 0 H ILE A 428 -2.996 3.377 3.692 1.00 0.00 H new ATOM 0 HA ILE A 428 -0.082 3.229 4.264 1.00 0.00 H new ATOM 0 HB ILE A 428 -1.749 1.418 2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 428 0.843 0.515 3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 428 -0.164 1.173 4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 428 0.175 0.888 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 428 -0.410 2.551 0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 428 1.068 2.260 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 428 -0.592 -1.247 4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 428 -2.044 -0.304 4.185 1.00 0.00 H new ATOM 0 HD13 ILE A 428 -1.022 -0.972 2.890 1.00 0.00 H new ATOM 120 N TYR A 429 0.249 5.086 2.757 1.00 0.00 N ATOM 121 CA TYR A 429 0.475 6.238 1.901 1.00 0.00 C ATOM 122 C TYR A 429 1.725 6.046 1.041 1.00 0.00 C ATOM 123 O TYR A 429 2.843 6.046 1.555 1.00 0.00 O ATOM 124 CB TYR A 429 0.695 7.425 2.841 1.00 0.00 C ATOM 125 CG TYR A 429 -0.539 7.805 3.662 1.00 0.00 C ATOM 126 CD1 TYR A 429 -1.754 7.204 3.401 1.00 0.00 C ATOM 127 CD2 TYR A 429 -0.437 8.749 4.664 1.00 0.00 C ATOM 128 CE1 TYR A 429 -2.915 7.562 4.174 1.00 0.00 C ATOM 129 CE2 TYR A 429 -1.598 9.107 5.436 1.00 0.00 C ATOM 130 CZ TYR A 429 -2.780 8.496 5.153 1.00 0.00 C ATOM 131 OH TYR A 429 -3.877 8.834 5.883 1.00 0.00 O ATOM 0 H TYR A 429 0.965 4.936 3.468 1.00 0.00 H new ATOM 0 HA TYR A 429 -0.370 6.388 1.229 1.00 0.00 H new ATOM 0 HB2 TYR A 429 1.513 7.190 3.522 1.00 0.00 H new ATOM 0 HB3 TYR A 429 1.008 8.288 2.253 1.00 0.00 H new ATOM 0 HD1 TYR A 429 -1.834 6.465 2.617 1.00 0.00 H new ATOM 0 HD2 TYR A 429 0.514 9.219 4.869 1.00 0.00 H new ATOM 0 HE1 TYR A 429 -3.871 7.099 3.981 1.00 0.00 H new ATOM 0 HE2 TYR A 429 -1.532 9.844 6.222 1.00 0.00 H new ATOM 0 HH TYR A 429 -3.632 9.512 6.547 1.00 0.00 H new ATOM 141 N TYR A 430 1.495 5.885 -0.254 1.00 0.00 N ATOM 142 CA TYR A 430 2.589 5.692 -1.190 1.00 0.00 C ATOM 143 C TYR A 430 2.834 6.956 -2.017 1.00 0.00 C ATOM 144 O TYR A 430 1.888 7.614 -2.446 1.00 0.00 O ATOM 145 CB TYR A 430 2.150 4.563 -2.125 1.00 0.00 C ATOM 146 CG TYR A 430 2.900 4.532 -3.458 1.00 0.00 C ATOM 147 CD1 TYR A 430 4.150 3.952 -3.533 1.00 0.00 C ATOM 148 CD2 TYR A 430 2.326 5.083 -4.586 1.00 0.00 C ATOM 149 CE1 TYR A 430 4.856 3.922 -4.788 1.00 0.00 C ATOM 150 CE2 TYR A 430 3.032 5.053 -5.841 1.00 0.00 C ATOM 151 CZ TYR A 430 4.262 4.474 -5.880 1.00 0.00 C ATOM 152 OH TYR A 430 4.929 4.446 -7.065 1.00 0.00 O ATOM 0 H TYR A 430 0.567 5.884 -0.677 1.00 0.00 H new ATOM 0 HA TYR A 430 3.512 5.460 -0.658 1.00 0.00 H new ATOM 0 HB2 TYR A 430 2.292 3.609 -1.618 1.00 0.00 H new ATOM 0 HB3 TYR A 430 1.083 4.663 -2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 430 4.599 3.521 -2.651 1.00 0.00 H new ATOM 0 HD2 TYR A 430 1.348 5.537 -4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 430 5.835 3.471 -4.860 1.00 0.00 H new ATOM 0 HE2 TYR A 430 2.595 5.481 -6.731 1.00 0.00 H new ATOM 0 HH TYR A 430 5.494 3.646 -7.104 1.00 0.00 H new ATOM 162 N LYS A 431 4.109 7.258 -2.214 1.00 0.00 N ATOM 163 CA LYS A 431 4.490 8.432 -2.981 1.00 0.00 C ATOM 164 C LYS A 431 4.033 8.258 -4.431 1.00 0.00 C ATOM 165 O LYS A 431 4.142 7.170 -4.994 1.00 0.00 O ATOM 166 CB LYS A 431 5.989 8.703 -2.837 1.00 0.00 C ATOM 167 CG LYS A 431 6.716 8.482 -4.165 1.00 0.00 C ATOM 168 CD LYS A 431 8.171 8.947 -4.077 1.00 0.00 C ATOM 169 CE LYS A 431 8.452 10.062 -5.086 1.00 0.00 C ATOM 170 NZ LYS A 431 9.382 9.588 -6.136 1.00 0.00 N ATOM 0 H LYS A 431 4.891 6.710 -1.856 1.00 0.00 H new ATOM 0 HA LYS A 431 3.991 9.320 -2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 431 6.146 9.727 -2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 431 6.409 8.047 -2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 431 6.684 7.425 -4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 431 6.204 9.026 -4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 431 8.383 9.302 -3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 431 8.838 8.105 -4.265 1.00 0.00 H new ATOM 0 HE2 LYS A 431 7.518 10.393 -5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 431 8.880 10.924 -4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 9.562 10.357 -6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 10.279 9.294 -5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 8.959 8.780 -6.635 1.00 0.00 H new ATOM 183 N LYS A 432 3.533 9.348 -4.995 1.00 0.00 N ATOM 184 CA LYS A 432 3.059 9.330 -6.368 1.00 0.00 C ATOM 185 C LYS A 432 4.258 9.289 -7.316 1.00 0.00 C ATOM 186 O LYS A 432 5.013 10.256 -7.411 1.00 0.00 O ATOM 187 CB LYS A 432 2.113 10.505 -6.624 1.00 0.00 C ATOM 188 CG LYS A 432 1.159 10.200 -7.781 1.00 0.00 C ATOM 189 CD LYS A 432 -0.220 10.812 -7.531 1.00 0.00 C ATOM 190 CE LYS A 432 -1.104 9.861 -6.722 1.00 0.00 C ATOM 191 NZ LYS A 432 -2.102 9.209 -7.600 1.00 0.00 N ATOM 0 H LYS A 432 3.446 10.249 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 432 2.472 8.431 -6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 432 1.540 10.718 -5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 432 2.692 11.400 -6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 432 1.572 10.592 -8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 432 1.065 9.121 -7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 432 -0.111 11.756 -6.997 1.00 0.00 H new ATOM 0 HD3 LYS A 432 -0.699 11.038 -8.483 1.00 0.00 H new ATOM 0 HE2 LYS A 432 -0.487 9.104 -6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 432 -1.612 10.412 -5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 432 -3.040 9.625 -7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 432 -1.836 9.354 -8.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 432 -2.132 8.190 -7.395 1.00 0.00 H new ATOM 204 N GLY A 433 4.397 8.160 -7.995 1.00 0.00 N ATOM 205 CA GLY A 433 5.493 7.980 -8.933 1.00 0.00 C ATOM 206 C GLY A 433 4.968 7.686 -10.340 1.00 0.00 C ATOM 207 O GLY A 433 5.749 7.503 -11.272 1.00 0.00 O ATOM 0 H GLY A 433 3.769 7.360 -7.915 1.00 0.00 H new ATOM 0 HA2 GLY A 433 6.111 8.877 -8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 433 6.130 7.161 -8.600 1.00 0.00 H new ATOM 211 N PHE A 434 3.648 7.650 -10.449 1.00 0.00 N ATOM 212 CA PHE A 434 3.009 7.381 -11.726 1.00 0.00 C ATOM 213 C PHE A 434 1.862 8.360 -11.983 1.00 0.00 C ATOM 214 O PHE A 434 1.957 9.215 -12.862 1.00 0.00 O ATOM 215 CB PHE A 434 2.445 5.960 -11.653 1.00 0.00 C ATOM 216 CG PHE A 434 3.210 4.942 -12.501 1.00 0.00 C ATOM 217 CD1 PHE A 434 4.370 4.405 -12.035 1.00 0.00 C ATOM 218 CD2 PHE A 434 2.732 4.575 -13.719 1.00 0.00 C ATOM 219 CE1 PHE A 434 5.080 3.460 -12.822 1.00 0.00 C ATOM 220 CE2 PHE A 434 3.442 3.630 -14.506 1.00 0.00 C ATOM 221 CZ PHE A 434 4.601 3.093 -14.041 1.00 0.00 C ATOM 0 H PHE A 434 3.003 7.803 -9.673 1.00 0.00 H new ATOM 0 HA PHE A 434 3.732 7.491 -12.534 1.00 0.00 H new ATOM 0 HB2 PHE A 434 2.452 5.630 -10.614 1.00 0.00 H new ATOM 0 HB3 PHE A 434 1.404 5.976 -11.975 1.00 0.00 H new ATOM 0 HD1 PHE A 434 4.750 4.697 -11.067 1.00 0.00 H new ATOM 0 HD2 PHE A 434 1.812 5.002 -14.089 1.00 0.00 H new ATOM 0 HE1 PHE A 434 6.000 3.033 -12.453 1.00 0.00 H new ATOM 0 HE2 PHE A 434 3.061 3.338 -15.474 1.00 0.00 H new ATOM 0 HZ PHE A 434 5.142 2.375 -14.640 1.00 0.00 H new ATOM 231 N ASN A 435 0.806 8.203 -11.199 1.00 0.00 N ATOM 232 CA ASN A 435 -0.358 9.062 -11.331 1.00 0.00 C ATOM 233 C ASN A 435 -1.592 8.328 -10.801 1.00 0.00 C ATOM 234 O ASN A 435 -2.425 8.921 -10.118 1.00 0.00 O ATOM 235 CB ASN A 435 -0.615 9.421 -12.796 1.00 0.00 C ATOM 236 CG ASN A 435 -0.450 8.195 -13.697 1.00 0.00 C ATOM 237 OD1 ASN A 435 -1.497 7.376 -13.693 1.00 0.00 O flip ATOM 238 ND2 ASN A 435 0.561 8.007 -14.354 1.00 0.00 N flip ATOM 0 H ASN A 435 0.732 7.494 -10.470 1.00 0.00 H new ATOM 0 HA ASN A 435 -0.169 9.974 -10.764 1.00 0.00 H new ATOM 0 HB2 ASN A 435 -1.622 9.824 -12.904 1.00 0.00 H new ATOM 0 HB3 ASN A 435 0.077 10.203 -13.109 1.00 0.00 H new ATOM 0 HD21 ASN A 435 1.329 8.677 -14.311 1.00 0.00 H new ATOM 0 HD22 ASN A 435 0.638 7.180 -14.946 1.00 0.00 H new ATOM 245 N SER A 436 -1.669 7.048 -11.135 1.00 0.00 N ATOM 246 CA SER A 436 -2.786 6.227 -10.702 1.00 0.00 C ATOM 247 C SER A 436 -2.323 4.785 -10.485 1.00 0.00 C ATOM 248 O SER A 436 -2.822 3.866 -11.131 1.00 0.00 O ATOM 249 CB SER A 436 -3.929 6.271 -11.718 1.00 0.00 C ATOM 250 OG SER A 436 -4.958 5.337 -11.405 1.00 0.00 O ATOM 0 H SER A 436 -0.975 6.559 -11.701 1.00 0.00 H new ATOM 0 HA SER A 436 -3.159 6.627 -9.759 1.00 0.00 H new ATOM 0 HB2 SER A 436 -4.349 7.276 -11.748 1.00 0.00 H new ATOM 0 HB3 SER A 436 -3.538 6.059 -12.713 1.00 0.00 H new ATOM 0 HG SER A 436 -4.579 4.434 -11.367 1.00 0.00 H new ATOM 256 N PRO A 437 -1.349 4.629 -9.549 1.00 0.00 N ATOM 257 CA PRO A 437 -0.813 3.315 -9.239 1.00 0.00 C ATOM 258 C PRO A 437 -1.801 2.504 -8.397 1.00 0.00 C ATOM 259 O PRO A 437 -2.616 3.073 -7.671 1.00 0.00 O ATOM 260 CB PRO A 437 0.499 3.584 -8.520 1.00 0.00 C ATOM 261 CG PRO A 437 0.424 5.025 -8.043 1.00 0.00 C ATOM 262 CD PRO A 437 -0.735 5.695 -8.763 1.00 0.00 C ATOM 0 HA PRO A 437 -0.647 2.708 -10.129 1.00 0.00 H new ATOM 0 HB2 PRO A 437 0.632 2.901 -7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 437 1.348 3.437 -9.188 1.00 0.00 H new ATOM 0 HG2 PRO A 437 0.276 5.063 -6.964 1.00 0.00 H new ATOM 0 HG3 PRO A 437 1.358 5.546 -8.255 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -1.445 6.125 -8.056 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -0.388 6.508 -9.401 1.00 0.00 H new ATOM 270 N TYR A 438 -1.696 1.189 -8.521 1.00 0.00 N ATOM 271 CA TYR A 438 -2.570 0.295 -7.781 1.00 0.00 C ATOM 272 C TYR A 438 -1.837 -0.326 -6.590 1.00 0.00 C ATOM 273 O TYR A 438 -0.624 -0.526 -6.638 1.00 0.00 O ATOM 274 CB TYR A 438 -2.963 -0.814 -8.758 1.00 0.00 C ATOM 275 CG TYR A 438 -3.528 -0.304 -10.084 1.00 0.00 C ATOM 276 CD1 TYR A 438 -4.136 0.934 -10.145 1.00 0.00 C ATOM 277 CD2 TYR A 438 -3.429 -1.081 -11.221 1.00 0.00 C ATOM 278 CE1 TYR A 438 -4.668 1.414 -11.394 1.00 0.00 C ATOM 279 CE2 TYR A 438 -3.961 -0.600 -12.470 1.00 0.00 C ATOM 280 CZ TYR A 438 -4.554 0.624 -12.495 1.00 0.00 C ATOM 281 OH TYR A 438 -5.056 1.078 -13.674 1.00 0.00 O ATOM 0 H TYR A 438 -1.019 0.721 -9.123 1.00 0.00 H new ATOM 0 HA TYR A 438 -3.433 0.836 -7.393 1.00 0.00 H new ATOM 0 HB2 TYR A 438 -2.088 -1.432 -8.961 1.00 0.00 H new ATOM 0 HB3 TYR A 438 -3.704 -1.457 -8.283 1.00 0.00 H new ATOM 0 HD1 TYR A 438 -4.213 1.542 -9.256 1.00 0.00 H new ATOM 0 HD2 TYR A 438 -2.953 -2.049 -11.174 1.00 0.00 H new ATOM 0 HE1 TYR A 438 -5.147 2.380 -11.455 1.00 0.00 H new ATOM 0 HE2 TYR A 438 -3.891 -1.198 -13.367 1.00 0.00 H new ATOM 0 HH TYR A 438 -4.902 0.410 -14.374 1.00 0.00 H new ATOM 291 N ILE A 439 -2.604 -0.613 -5.548 1.00 0.00 N ATOM 292 CA ILE A 439 -2.043 -1.208 -4.347 1.00 0.00 C ATOM 293 C ILE A 439 -2.909 -2.393 -3.917 1.00 0.00 C ATOM 294 O ILE A 439 -4.087 -2.224 -3.603 1.00 0.00 O ATOM 295 CB ILE A 439 -1.866 -0.148 -3.258 1.00 0.00 C ATOM 296 CG1 ILE A 439 -0.794 -0.570 -2.251 1.00 0.00 C ATOM 297 CG2 ILE A 439 -3.199 0.167 -2.577 1.00 0.00 C ATOM 298 CD1 ILE A 439 -0.767 0.376 -1.049 1.00 0.00 C ATOM 0 H ILE A 439 -3.609 -0.444 -5.511 1.00 0.00 H new ATOM 0 HA ILE A 439 -1.045 -1.599 -4.545 1.00 0.00 H new ATOM 0 HB ILE A 439 -1.520 0.772 -3.730 1.00 0.00 H new ATOM 0 HG12 ILE A 439 -0.988 -1.588 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 439 0.182 -0.576 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 439 -3.045 0.923 -1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 439 -3.906 0.542 -3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 439 -3.597 -0.739 -2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 439 0.004 0.053 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 439 -0.548 1.389 -1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 439 -1.737 0.361 -0.553 1.00 0.00 H new ATOM 310 N HIS A 440 -2.293 -3.566 -3.916 1.00 0.00 N ATOM 311 CA HIS A 440 -2.994 -4.779 -3.530 1.00 0.00 C ATOM 312 C HIS A 440 -2.786 -5.038 -2.036 1.00 0.00 C ATOM 313 O HIS A 440 -1.653 -5.167 -1.577 1.00 0.00 O ATOM 314 CB HIS A 440 -2.559 -5.958 -4.402 1.00 0.00 C ATOM 315 CG HIS A 440 -3.659 -6.955 -4.679 1.00 0.00 C ATOM 316 ND1 HIS A 440 -3.661 -7.780 -5.791 1.00 0.00 N ATOM 317 CD2 HIS A 440 -4.790 -7.253 -3.977 1.00 0.00 C ATOM 318 CE1 HIS A 440 -4.750 -8.534 -5.750 1.00 0.00 C ATOM 319 NE2 HIS A 440 -5.448 -8.205 -4.626 1.00 0.00 N ATOM 0 H HIS A 440 -1.316 -3.702 -4.176 1.00 0.00 H new ATOM 0 HA HIS A 440 -4.064 -4.654 -3.696 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.182 -5.576 -5.350 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -1.731 -6.472 -3.914 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -2.946 -7.803 -6.518 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -5.098 -6.792 -3.050 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -5.035 -9.278 -6.479 1.00 0.00 H new ATOM 327 N TYR A 441 -3.899 -5.106 -1.320 1.00 0.00 N ATOM 328 CA TYR A 441 -3.854 -5.347 0.112 1.00 0.00 C ATOM 329 C TYR A 441 -4.701 -6.563 0.490 1.00 0.00 C ATOM 330 O TYR A 441 -5.681 -6.875 -0.184 1.00 0.00 O ATOM 331 CB TYR A 441 -4.450 -4.100 0.768 1.00 0.00 C ATOM 332 CG TYR A 441 -5.928 -3.872 0.443 1.00 0.00 C ATOM 333 CD1 TYR A 441 -6.886 -4.725 0.952 1.00 0.00 C ATOM 334 CD2 TYR A 441 -6.302 -2.814 -0.360 1.00 0.00 C ATOM 335 CE1 TYR A 441 -8.276 -4.510 0.646 1.00 0.00 C ATOM 336 CE2 TYR A 441 -7.693 -2.599 -0.666 1.00 0.00 C ATOM 337 CZ TYR A 441 -8.611 -3.458 -0.148 1.00 0.00 C ATOM 338 OH TYR A 441 -9.925 -3.255 -0.437 1.00 0.00 O ATOM 0 H TYR A 441 -4.837 -4.998 -1.705 1.00 0.00 H new ATOM 0 HA TYR A 441 -2.832 -5.542 0.437 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -4.334 -4.180 1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -3.880 -3.227 0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 441 -6.593 -5.554 1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 441 -5.552 -2.147 -0.759 1.00 0.00 H new ATOM 0 HE1 TYR A 441 -9.036 -5.170 1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 441 -8.000 -1.774 -1.292 1.00 0.00 H new ATOM 0 HH TYR A 441 -10.015 -2.467 -1.013 1.00 0.00 H new ATOM 348 N ARG A 442 -4.293 -7.217 1.568 1.00 0.00 N ATOM 349 CA ARG A 442 -5.002 -8.392 2.044 1.00 0.00 C ATOM 350 C ARG A 442 -4.820 -8.546 3.556 1.00 0.00 C ATOM 351 O ARG A 442 -3.695 -8.658 4.040 1.00 0.00 O ATOM 352 CB ARG A 442 -4.502 -9.658 1.345 1.00 0.00 C ATOM 353 CG ARG A 442 -4.712 -10.890 2.227 1.00 0.00 C ATOM 354 CD ARG A 442 -4.193 -12.153 1.537 1.00 0.00 C ATOM 355 NE ARG A 442 -3.319 -12.912 2.460 1.00 0.00 N ATOM 356 CZ ARG A 442 -2.679 -14.054 2.129 1.00 0.00 C ATOM 357 NH1 ARG A 442 -2.810 -14.579 0.892 1.00 0.00 N ATOM 358 NH2 ARG A 442 -1.923 -14.649 3.032 1.00 0.00 N ATOM 0 H ARG A 442 -3.480 -6.955 2.125 1.00 0.00 H new ATOM 0 HA ARG A 442 -6.059 -8.257 1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.029 -9.789 0.400 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -3.443 -9.553 1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -4.197 -10.753 3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -5.772 -11.004 2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -5.031 -12.775 1.222 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -3.639 -11.884 0.637 1.00 0.00 H new ATOM 0 HE ARG A 442 -3.192 -12.550 3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -3.396 -14.113 0.199 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -2.323 -15.442 0.650 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -1.829 -14.246 3.964 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -1.433 -15.512 2.798 1.00 0.00 H new ATOM 371 N PRO A 443 -5.973 -8.547 4.277 1.00 0.00 N ATOM 372 CA PRO A 443 -5.951 -8.686 5.723 1.00 0.00 C ATOM 373 C PRO A 443 -5.654 -10.130 6.131 1.00 0.00 C ATOM 374 O PRO A 443 -6.223 -11.067 5.572 1.00 0.00 O ATOM 375 CB PRO A 443 -7.318 -8.208 6.184 1.00 0.00 C ATOM 376 CG PRO A 443 -8.214 -8.259 4.957 1.00 0.00 C ATOM 377 CD PRO A 443 -7.323 -8.417 3.736 1.00 0.00 C ATOM 0 HA PRO A 443 -5.160 -8.100 6.190 1.00 0.00 H new ATOM 0 HB2 PRO A 443 -7.707 -8.845 6.978 1.00 0.00 H new ATOM 0 HB3 PRO A 443 -7.263 -7.196 6.585 1.00 0.00 H new ATOM 0 HG2 PRO A 443 -8.914 -9.092 5.029 1.00 0.00 H new ATOM 0 HG3 PRO A 443 -8.809 -7.349 4.880 1.00 0.00 H new ATOM 0 HD2 PRO A 443 -7.602 -9.295 3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 443 -7.403 -7.555 3.073 1.00 0.00 H new ATOM 385 N ALA A 444 -4.763 -10.266 7.102 1.00 0.00 N ATOM 386 CA ALA A 444 -4.383 -11.580 7.591 1.00 0.00 C ATOM 387 C ALA A 444 -5.642 -12.367 7.958 1.00 0.00 C ATOM 388 O ALA A 444 -6.259 -12.111 8.992 1.00 0.00 O ATOM 389 CB ALA A 444 -3.425 -11.428 8.774 1.00 0.00 C ATOM 0 H ALA A 444 -4.293 -9.487 7.563 1.00 0.00 H new ATOM 0 HA ALA A 444 -3.858 -12.140 6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 444 -3.140 -12.414 9.141 1.00 0.00 H new ATOM 0 HB2 ALA A 444 -2.534 -10.889 8.453 1.00 0.00 H new ATOM 0 HB3 ALA A 444 -3.918 -10.873 9.572 1.00 0.00 H new ATOM 395 N GLY A 445 -5.988 -13.307 7.091 1.00 0.00 N ATOM 396 CA GLY A 445 -7.163 -14.133 7.312 1.00 0.00 C ATOM 397 C GLY A 445 -8.312 -13.707 6.395 1.00 0.00 C ATOM 398 O GLY A 445 -9.428 -14.209 6.517 1.00 0.00 O ATOM 0 H GLY A 445 -5.475 -13.515 6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -6.916 -15.179 7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -7.476 -14.056 8.353 1.00 0.00 H new ATOM 402 N GLY A 446 -7.999 -12.784 5.497 1.00 0.00 N ATOM 403 CA GLY A 446 -8.991 -12.285 4.560 1.00 0.00 C ATOM 404 C GLY A 446 -8.689 -12.759 3.137 1.00 0.00 C ATOM 405 O GLY A 446 -8.116 -13.830 2.944 1.00 0.00 O ATOM 0 H GLY A 446 -7.072 -12.369 5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -9.982 -12.627 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -9.007 -11.195 4.588 1.00 0.00 H new ATOM 409 N SER A 447 -9.088 -11.937 2.177 1.00 0.00 N ATOM 410 CA SER A 447 -8.867 -12.260 0.777 1.00 0.00 C ATOM 411 C SER A 447 -8.197 -11.081 0.068 1.00 0.00 C ATOM 412 O SER A 447 -8.336 -9.935 0.494 1.00 0.00 O ATOM 413 CB SER A 447 -10.181 -12.620 0.081 1.00 0.00 C ATOM 414 OG SER A 447 -11.180 -13.035 1.009 1.00 0.00 O ATOM 0 H SER A 447 -9.562 -11.049 2.341 1.00 0.00 H new ATOM 0 HA SER A 447 -8.210 -13.128 0.726 1.00 0.00 H new ATOM 0 HB2 SER A 447 -10.542 -11.758 -0.480 1.00 0.00 H new ATOM 0 HB3 SER A 447 -10.003 -13.417 -0.640 1.00 0.00 H new ATOM 0 HG SER A 447 -12.004 -13.254 0.526 1.00 0.00 H new ATOM 420 N TRP A 448 -7.485 -11.402 -1.002 1.00 0.00 N ATOM 421 CA TRP A 448 -6.792 -10.385 -1.774 1.00 0.00 C ATOM 422 C TRP A 448 -7.846 -9.530 -2.481 1.00 0.00 C ATOM 423 O TRP A 448 -8.972 -9.976 -2.694 1.00 0.00 O ATOM 424 CB TRP A 448 -5.789 -11.017 -2.740 1.00 0.00 C ATOM 425 CG TRP A 448 -4.415 -11.288 -2.121 1.00 0.00 C ATOM 426 CD1 TRP A 448 -3.820 -12.471 -1.920 1.00 0.00 C ATOM 427 CD2 TRP A 448 -3.484 -10.301 -1.630 1.00 0.00 C ATOM 428 NE1 TRP A 448 -2.579 -12.320 -1.336 1.00 0.00 N ATOM 429 CE2 TRP A 448 -2.368 -10.958 -1.155 1.00 0.00 C ATOM 430 CE3 TRP A 448 -3.582 -8.899 -1.589 1.00 0.00 C ATOM 431 CZ2 TRP A 448 -1.265 -10.295 -0.604 1.00 0.00 C ATOM 432 CZ3 TRP A 448 -2.471 -8.251 -1.035 1.00 0.00 C ATOM 433 CH2 TRP A 448 -1.340 -8.898 -0.552 1.00 0.00 C ATOM 0 H TRP A 448 -7.373 -12.353 -1.353 1.00 0.00 H new ATOM 0 HA TRP A 448 -6.201 -9.742 -1.122 1.00 0.00 H new ATOM 0 HB2 TRP A 448 -6.200 -11.955 -3.112 1.00 0.00 H new ATOM 0 HB3 TRP A 448 -5.665 -10.360 -3.601 1.00 0.00 H new ATOM 0 HD1 TRP A 448 -4.257 -13.423 -2.182 1.00 0.00 H new ATOM 0 HE1 TRP A 448 -1.935 -13.070 -1.084 1.00 0.00 H new ATOM 0 HE3 TRP A 448 -4.446 -8.364 -1.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 -0.402 -10.832 -0.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 -2.495 -7.173 -0.979 1.00 0.00 H new ATOM 0 HH2 TRP A 448 -0.523 -8.326 -0.138 1.00 0.00 H new ATOM 444 N THR A 449 -7.442 -8.316 -2.826 1.00 0.00 N ATOM 445 CA THR A 449 -8.338 -7.394 -3.504 1.00 0.00 C ATOM 446 C THR A 449 -8.461 -7.763 -4.984 1.00 0.00 C ATOM 447 O THR A 449 -7.909 -8.770 -5.425 1.00 0.00 O ATOM 448 CB THR A 449 -7.818 -5.974 -3.274 1.00 0.00 C ATOM 449 OG1 THR A 449 -7.279 -6.011 -1.955 1.00 0.00 O ATOM 450 CG2 THR A 449 -8.947 -4.944 -3.187 1.00 0.00 C ATOM 0 H THR A 449 -6.507 -7.950 -2.649 1.00 0.00 H new ATOM 0 HA THR A 449 -9.348 -7.455 -3.100 1.00 0.00 H new ATOM 0 HB THR A 449 -7.139 -5.701 -4.082 1.00 0.00 H new ATOM 0 HG1 THR A 449 -7.738 -5.350 -1.396 1.00 0.00 H new ATOM 0 HG21 THR A 449 -8.524 -3.953 -3.023 1.00 0.00 H new ATOM 0 HG22 THR A 449 -9.515 -4.947 -4.118 1.00 0.00 H new ATOM 0 HG23 THR A 449 -9.608 -5.198 -2.358 1.00 0.00 H new ATOM 458 N ALA A 450 -9.190 -6.928 -5.710 1.00 0.00 N ATOM 459 CA ALA A 450 -9.393 -7.154 -7.131 1.00 0.00 C ATOM 460 C ALA A 450 -8.139 -6.726 -7.896 1.00 0.00 C ATOM 461 O ALA A 450 -7.975 -5.550 -8.219 1.00 0.00 O ATOM 462 CB ALA A 450 -10.643 -6.402 -7.594 1.00 0.00 C ATOM 0 H ALA A 450 -9.647 -6.094 -5.341 1.00 0.00 H new ATOM 0 HA ALA A 450 -9.556 -8.213 -7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 450 -10.796 -6.571 -8.660 1.00 0.00 H new ATOM 0 HB2 ALA A 450 -11.510 -6.763 -7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 450 -10.515 -5.335 -7.411 1.00 0.00 H new ATOM 468 N ALA A 451 -7.285 -7.704 -8.164 1.00 0.00 N ATOM 469 CA ALA A 451 -6.051 -7.443 -8.884 1.00 0.00 C ATOM 470 C ALA A 451 -6.376 -6.759 -10.213 1.00 0.00 C ATOM 471 O ALA A 451 -7.339 -7.126 -10.885 1.00 0.00 O ATOM 472 CB ALA A 451 -5.284 -8.753 -9.074 1.00 0.00 C ATOM 0 H ALA A 451 -7.424 -8.678 -7.895 1.00 0.00 H new ATOM 0 HA ALA A 451 -5.410 -6.770 -8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 451 -4.358 -8.557 -9.614 1.00 0.00 H new ATOM 0 HB2 ALA A 451 -5.052 -9.183 -8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 451 -5.895 -9.453 -9.643 1.00 0.00 H new ATOM 478 N PRO A 452 -5.532 -5.751 -10.563 1.00 0.00 N ATOM 479 CA PRO A 452 -4.416 -5.380 -9.710 1.00 0.00 C ATOM 480 C PRO A 452 -4.897 -4.600 -8.485 1.00 0.00 C ATOM 481 O PRO A 452 -5.506 -3.539 -8.620 1.00 0.00 O ATOM 482 CB PRO A 452 -3.490 -4.571 -10.604 1.00 0.00 C ATOM 483 CG PRO A 452 -4.336 -4.126 -11.786 1.00 0.00 C ATOM 484 CD PRO A 452 -5.619 -4.941 -11.774 1.00 0.00 C ATOM 0 HA PRO A 452 -3.896 -6.245 -9.298 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -3.083 -3.712 -10.070 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -2.643 -5.172 -10.934 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -4.559 -3.061 -11.716 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -3.796 -4.278 -12.721 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -6.498 -4.296 -11.757 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -5.700 -5.566 -12.663 1.00 0.00 H new ATOM 492 N GLY A 453 -4.606 -5.154 -7.318 1.00 0.00 N ATOM 493 CA GLY A 453 -5.002 -4.524 -6.070 1.00 0.00 C ATOM 494 C GLY A 453 -6.101 -3.486 -6.305 1.00 0.00 C ATOM 495 O GLY A 453 -7.035 -3.727 -7.069 1.00 0.00 O ATOM 0 H GLY A 453 -4.100 -6.033 -7.210 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -5.356 -5.282 -5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -4.138 -4.046 -5.609 1.00 0.00 H new ATOM 499 N VAL A 454 -5.954 -2.353 -5.634 1.00 0.00 N ATOM 500 CA VAL A 454 -6.924 -1.278 -5.759 1.00 0.00 C ATOM 501 C VAL A 454 -6.186 0.046 -5.967 1.00 0.00 C ATOM 502 O VAL A 454 -5.139 0.279 -5.365 1.00 0.00 O ATOM 503 CB VAL A 454 -7.849 -1.262 -4.541 1.00 0.00 C ATOM 504 CG1 VAL A 454 -7.107 -0.771 -3.296 1.00 0.00 C ATOM 505 CG2 VAL A 454 -9.093 -0.414 -4.808 1.00 0.00 C ATOM 0 H VAL A 454 -5.178 -2.156 -5.002 1.00 0.00 H new ATOM 0 HA VAL A 454 -7.560 -1.437 -6.630 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.176 -2.285 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.787 -0.769 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.267 -1.434 -3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.738 0.240 -3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -9.733 -0.420 -3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.794 0.610 -5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.640 -0.827 -5.656 1.00 0.00 H new ATOM 515 N LYS A 455 -6.762 0.880 -6.821 1.00 0.00 N ATOM 516 CA LYS A 455 -6.172 2.175 -7.117 1.00 0.00 C ATOM 517 C LYS A 455 -6.000 2.961 -5.815 1.00 0.00 C ATOM 518 O LYS A 455 -6.924 3.038 -5.006 1.00 0.00 O ATOM 519 CB LYS A 455 -6.996 2.910 -8.175 1.00 0.00 C ATOM 520 CG LYS A 455 -7.691 4.134 -7.576 1.00 0.00 C ATOM 521 CD LYS A 455 -8.768 4.670 -8.521 1.00 0.00 C ATOM 522 CE LYS A 455 -9.119 6.121 -8.185 1.00 0.00 C ATOM 523 NZ LYS A 455 -10.549 6.238 -7.821 1.00 0.00 N ATOM 0 H LYS A 455 -7.631 0.684 -7.317 1.00 0.00 H new ATOM 0 HA LYS A 455 -5.179 2.052 -7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -6.348 3.220 -8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -7.741 2.234 -8.595 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -8.141 3.869 -6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -6.955 4.914 -7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -8.418 4.606 -9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -9.661 4.050 -8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -8.498 6.470 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -8.902 6.761 -9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -10.770 7.229 -7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -11.137 5.925 -8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -10.746 5.643 -6.991 1.00 0.00 H new ATOM 536 N MET A 456 -4.812 3.524 -5.654 1.00 0.00 N ATOM 537 CA MET A 456 -4.508 4.301 -4.464 1.00 0.00 C ATOM 538 C MET A 456 -5.150 5.688 -4.536 1.00 0.00 C ATOM 539 O MET A 456 -4.975 6.407 -5.519 1.00 0.00 O ATOM 540 CB MET A 456 -2.991 4.448 -4.324 1.00 0.00 C ATOM 541 CG MET A 456 -2.322 3.083 -4.150 1.00 0.00 C ATOM 542 SD MET A 456 -1.036 2.873 -5.370 1.00 0.00 S ATOM 543 CE MET A 456 0.359 2.566 -4.300 1.00 0.00 C ATOM 0 H MET A 456 -4.049 3.458 -6.327 1.00 0.00 H new ATOM 0 HA MET A 456 -4.913 3.778 -3.598 1.00 0.00 H new ATOM 0 HB2 MET A 456 -2.587 4.945 -5.206 1.00 0.00 H new ATOM 0 HB3 MET A 456 -2.761 5.082 -3.468 1.00 0.00 H new ATOM 0 HG2 MET A 456 -1.901 3.000 -3.148 1.00 0.00 H new ATOM 0 HG3 MET A 456 -3.063 2.290 -4.251 1.00 0.00 H new ATOM 0 HE1 MET A 456 1.284 2.745 -4.848 1.00 0.00 H new ATOM 0 HE2 MET A 456 0.312 3.234 -3.440 1.00 0.00 H new ATOM 0 HE3 MET A 456 0.334 1.531 -3.958 1.00 0.00 H new ATOM 553 N GLN A 457 -5.880 6.022 -3.482 1.00 0.00 N ATOM 554 CA GLN A 457 -6.550 7.310 -3.413 1.00 0.00 C ATOM 555 C GLN A 457 -5.548 8.442 -3.645 1.00 0.00 C ATOM 556 O GLN A 457 -4.350 8.198 -3.780 1.00 0.00 O ATOM 557 CB GLN A 457 -7.271 7.482 -2.075 1.00 0.00 C ATOM 558 CG GLN A 457 -8.246 6.329 -1.825 1.00 0.00 C ATOM 559 CD GLN A 457 -9.645 6.672 -2.341 1.00 0.00 C ATOM 560 OE1 GLN A 457 -9.818 7.362 -3.332 1.00 0.00 O ATOM 561 NE2 GLN A 457 -10.631 6.154 -1.614 1.00 0.00 N ATOM 0 H GLN A 457 -6.022 5.423 -2.669 1.00 0.00 H new ATOM 0 HA GLN A 457 -7.302 7.349 -4.201 1.00 0.00 H new ATOM 0 HB2 GLN A 457 -6.540 7.527 -1.267 1.00 0.00 H new ATOM 0 HB3 GLN A 457 -7.812 8.428 -2.068 1.00 0.00 H new ATOM 0 HG2 GLN A 457 -7.883 5.428 -2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 457 -8.291 6.111 -0.758 1.00 0.00 H new ATOM 0 HE21 GLN A 457 -10.416 5.585 -0.795 1.00 0.00 H new ATOM 0 HE22 GLN A 457 -11.602 6.326 -1.875 1.00 0.00 H new ATOM 570 N ASP A 458 -6.075 9.657 -3.686 1.00 0.00 N ATOM 571 CA ASP A 458 -5.242 10.828 -3.900 1.00 0.00 C ATOM 572 C ASP A 458 -4.752 11.354 -2.549 1.00 0.00 C ATOM 573 O ASP A 458 -5.528 11.456 -1.601 1.00 0.00 O ATOM 574 CB ASP A 458 -6.030 11.946 -4.586 1.00 0.00 C ATOM 575 CG ASP A 458 -7.354 11.512 -5.216 1.00 0.00 C ATOM 576 OD1 ASP A 458 -8.439 11.861 -4.727 1.00 0.00 O ATOM 577 OD2 ASP A 458 -7.241 10.774 -6.268 1.00 0.00 O ATOM 0 H ASP A 458 -7.069 9.856 -3.575 1.00 0.00 H new ATOM 0 HA ASP A 458 -4.405 10.536 -4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 458 -6.232 12.729 -3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -5.404 12.388 -5.361 1.00 0.00 H new ATOM 583 N ALA A 459 -3.467 11.673 -2.506 1.00 0.00 N ATOM 584 CA ALA A 459 -2.864 12.186 -1.287 1.00 0.00 C ATOM 585 C ALA A 459 -2.410 13.629 -1.515 1.00 0.00 C ATOM 586 O ALA A 459 -1.386 13.867 -2.154 1.00 0.00 O ATOM 587 CB ALA A 459 -1.713 11.272 -0.863 1.00 0.00 C ATOM 0 H ALA A 459 -2.827 11.586 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 459 -3.590 12.194 -0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -1.261 11.657 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 459 -2.094 10.266 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 459 -0.963 11.241 -1.653 1.00 0.00 H new ATOM 593 N GLU A 460 -3.194 14.554 -0.981 1.00 0.00 N ATOM 594 CA GLU A 460 -2.885 15.967 -1.119 1.00 0.00 C ATOM 595 C GLU A 460 -1.537 16.282 -0.467 1.00 0.00 C ATOM 596 O GLU A 460 -0.969 17.350 -0.691 1.00 0.00 O ATOM 597 CB GLU A 460 -3.997 16.832 -0.524 1.00 0.00 C ATOM 598 CG GLU A 460 -4.087 16.644 0.992 1.00 0.00 C ATOM 599 CD GLU A 460 -5.214 17.493 1.584 1.00 0.00 C ATOM 600 OE1 GLU A 460 -5.211 18.723 1.428 1.00 0.00 O ATOM 601 OE2 GLU A 460 -6.116 16.831 2.226 1.00 0.00 O ATOM 0 H GLU A 460 -4.043 14.353 -0.452 1.00 0.00 H new ATOM 0 HA GLU A 460 -2.816 16.202 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.809 17.881 -0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -4.950 16.571 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -4.260 15.593 1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -3.139 16.920 1.453 1.00 0.00 H new ATOM 609 N ILE A 461 -1.064 15.332 0.327 1.00 0.00 N ATOM 610 CA ILE A 461 0.206 15.495 1.014 1.00 0.00 C ATOM 611 C ILE A 461 1.125 16.384 0.173 1.00 0.00 C ATOM 612 O ILE A 461 1.718 17.332 0.687 1.00 0.00 O ATOM 613 CB ILE A 461 0.811 14.131 1.352 1.00 0.00 C ATOM 614 CG1 ILE A 461 -0.160 13.292 2.185 1.00 0.00 C ATOM 615 CG2 ILE A 461 2.169 14.289 2.040 1.00 0.00 C ATOM 616 CD1 ILE A 461 -1.002 14.180 3.104 1.00 0.00 C ATOM 0 H ILE A 461 -1.537 14.447 0.510 1.00 0.00 H new ATOM 0 HA ILE A 461 0.061 15.999 1.969 1.00 0.00 H new ATOM 0 HB ILE A 461 0.983 13.593 0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 461 -0.814 12.723 1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 461 0.397 12.570 2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 461 2.577 13.305 2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 461 2.853 14.820 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 461 2.045 14.855 2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 461 -1.684 13.559 3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 461 -0.346 14.729 3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 461 -1.576 14.885 2.503 1.00 0.00 H new ATOM 628 N SER A 462 1.215 16.047 -1.105 1.00 0.00 N ATOM 629 CA SER A 462 2.052 16.802 -2.022 1.00 0.00 C ATOM 630 C SER A 462 2.436 15.930 -3.219 1.00 0.00 C ATOM 631 O SER A 462 3.590 15.929 -3.645 1.00 0.00 O ATOM 632 CB SER A 462 3.307 17.323 -1.319 1.00 0.00 C ATOM 633 OG SER A 462 3.125 18.641 -0.809 1.00 0.00 O ATOM 0 H SER A 462 0.722 15.261 -1.528 1.00 0.00 H new ATOM 0 HA SER A 462 1.483 17.662 -2.376 1.00 0.00 H new ATOM 0 HB2 SER A 462 3.570 16.651 -0.502 1.00 0.00 H new ATOM 0 HB3 SER A 462 4.143 17.317 -2.018 1.00 0.00 H new ATOM 0 HG SER A 462 2.590 18.603 0.011 1.00 0.00 H new ATOM 639 N GLY A 463 1.447 15.210 -3.727 1.00 0.00 N ATOM 640 CA GLY A 463 1.668 14.335 -4.867 1.00 0.00 C ATOM 641 C GLY A 463 1.903 12.893 -4.413 1.00 0.00 C ATOM 642 O GLY A 463 2.848 12.244 -4.859 1.00 0.00 O ATOM 0 H GLY A 463 0.491 15.214 -3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 463 0.806 14.375 -5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 463 2.528 14.685 -5.438 1.00 0.00 H new ATOM 646 N TYR A 464 1.027 12.433 -3.532 1.00 0.00 N ATOM 647 CA TYR A 464 1.127 11.080 -3.013 1.00 0.00 C ATOM 648 C TYR A 464 -0.214 10.351 -3.119 1.00 0.00 C ATOM 649 O TYR A 464 -1.223 10.951 -3.485 1.00 0.00 O ATOM 650 CB TYR A 464 1.502 11.221 -1.536 1.00 0.00 C ATOM 651 CG TYR A 464 3.010 11.259 -1.277 1.00 0.00 C ATOM 652 CD1 TYR A 464 3.786 12.239 -1.863 1.00 0.00 C ATOM 653 CD2 TYR A 464 3.593 10.314 -0.458 1.00 0.00 C ATOM 654 CE1 TYR A 464 5.205 12.275 -1.620 1.00 0.00 C ATOM 655 CE2 TYR A 464 5.012 10.350 -0.215 1.00 0.00 C ATOM 656 CZ TYR A 464 5.748 11.329 -0.808 1.00 0.00 C ATOM 657 OH TYR A 464 7.088 11.362 -0.578 1.00 0.00 O ATOM 0 H TYR A 464 0.244 12.974 -3.164 1.00 0.00 H new ATOM 0 HA TYR A 464 1.862 10.506 -3.578 1.00 0.00 H new ATOM 0 HB2 TYR A 464 1.053 12.134 -1.143 1.00 0.00 H new ATOM 0 HB3 TYR A 464 1.069 10.389 -0.981 1.00 0.00 H new ATOM 0 HD1 TYR A 464 3.329 12.979 -2.504 1.00 0.00 H new ATOM 0 HD2 TYR A 464 2.986 9.548 0.001 1.00 0.00 H new ATOM 0 HE1 TYR A 464 5.824 13.036 -2.072 1.00 0.00 H new ATOM 0 HE2 TYR A 464 5.482 9.616 0.424 1.00 0.00 H new ATOM 0 HH TYR A 464 7.335 10.627 0.021 1.00 0.00 H new ATOM 667 N ALA A 465 -0.181 9.068 -2.791 1.00 0.00 N ATOM 668 CA ALA A 465 -1.381 8.251 -2.845 1.00 0.00 C ATOM 669 C ALA A 465 -1.723 7.760 -1.437 1.00 0.00 C ATOM 670 O ALA A 465 -0.834 7.580 -0.605 1.00 0.00 O ATOM 671 CB ALA A 465 -1.170 7.098 -3.829 1.00 0.00 C ATOM 0 H ALA A 465 0.658 8.574 -2.487 1.00 0.00 H new ATOM 0 HA ALA A 465 -2.227 8.836 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -2.070 6.485 -3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -0.959 7.500 -4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -0.330 6.487 -3.499 1.00 0.00 H new ATOM 677 N LYS A 466 -3.013 7.557 -1.212 1.00 0.00 N ATOM 678 CA LYS A 466 -3.483 7.092 0.082 1.00 0.00 C ATOM 679 C LYS A 466 -4.416 5.896 -0.120 1.00 0.00 C ATOM 680 O LYS A 466 -5.145 5.833 -1.109 1.00 0.00 O ATOM 681 CB LYS A 466 -4.117 8.241 0.867 1.00 0.00 C ATOM 682 CG LYS A 466 -3.062 9.269 1.282 1.00 0.00 C ATOM 683 CD LYS A 466 -3.711 10.610 1.631 1.00 0.00 C ATOM 684 CE LYS A 466 -4.467 10.524 2.958 1.00 0.00 C ATOM 685 NZ LYS A 466 -4.966 11.859 3.358 1.00 0.00 N ATOM 0 H LYS A 466 -3.747 7.706 -1.904 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.647 6.746 0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.881 8.724 0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.616 7.849 1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -2.504 8.896 2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -2.346 9.407 0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.945 11.383 1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -4.396 10.904 0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -5.303 9.830 2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -3.810 10.128 3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -5.477 11.783 4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -4.163 12.511 3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -5.609 12.223 2.626 1.00 0.00 H new ATOM 698 N ILE A 467 -4.364 4.977 0.833 1.00 0.00 N ATOM 699 CA ILE A 467 -5.195 3.787 0.772 1.00 0.00 C ATOM 700 C ILE A 467 -5.528 3.330 2.194 1.00 0.00 C ATOM 701 O ILE A 467 -4.634 3.170 3.023 1.00 0.00 O ATOM 702 CB ILE A 467 -4.524 2.708 -0.080 1.00 0.00 C ATOM 703 CG1 ILE A 467 -5.540 2.024 -0.998 1.00 0.00 C ATOM 704 CG2 ILE A 467 -3.777 1.702 0.798 1.00 0.00 C ATOM 705 CD1 ILE A 467 -5.998 0.689 -0.409 1.00 0.00 C ATOM 0 H ILE A 467 -3.759 5.033 1.652 1.00 0.00 H new ATOM 0 HA ILE A 467 -6.141 4.007 0.278 1.00 0.00 H new ATOM 0 HB ILE A 467 -3.784 3.189 -0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -6.401 2.676 -1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -5.096 1.859 -1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -3.309 0.946 0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -3.010 2.220 1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -4.479 1.222 1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -6.719 0.223 -1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -5.138 0.031 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -6.464 0.860 0.562 1.00 0.00 H new ATOM 717 N THR A 468 -6.816 3.132 2.431 1.00 0.00 N ATOM 718 CA THR A 468 -7.278 2.696 3.738 1.00 0.00 C ATOM 719 C THR A 468 -8.092 1.406 3.613 1.00 0.00 C ATOM 720 O THR A 468 -9.075 1.357 2.876 1.00 0.00 O ATOM 721 CB THR A 468 -8.060 3.849 4.371 1.00 0.00 C ATOM 722 OG1 THR A 468 -7.328 5.012 3.996 1.00 0.00 O ATOM 723 CG2 THR A 468 -7.984 3.838 5.899 1.00 0.00 C ATOM 0 H THR A 468 -7.554 3.265 1.740 1.00 0.00 H new ATOM 0 HA THR A 468 -6.441 2.453 4.393 1.00 0.00 H new ATOM 0 HB THR A 468 -9.103 3.795 4.059 1.00 0.00 H new ATOM 0 HG1 THR A 468 -7.767 5.807 4.364 1.00 0.00 H new ATOM 0 HG21 THR A 468 -8.555 4.676 6.298 1.00 0.00 H new ATOM 0 HG22 THR A 468 -8.399 2.904 6.277 1.00 0.00 H new ATOM 0 HG23 THR A 468 -6.944 3.926 6.212 1.00 0.00 H new ATOM 731 N VAL A 469 -7.651 0.394 4.346 1.00 0.00 N ATOM 732 CA VAL A 469 -8.326 -0.893 4.326 1.00 0.00 C ATOM 733 C VAL A 469 -8.484 -1.403 5.760 1.00 0.00 C ATOM 734 O VAL A 469 -7.560 -1.298 6.565 1.00 0.00 O ATOM 735 CB VAL A 469 -7.566 -1.868 3.425 1.00 0.00 C ATOM 736 CG1 VAL A 469 -8.420 -3.096 3.103 1.00 0.00 C ATOM 737 CG2 VAL A 469 -7.093 -1.177 2.144 1.00 0.00 C ATOM 0 H VAL A 469 -6.835 0.439 4.957 1.00 0.00 H new ATOM 0 HA VAL A 469 -9.326 -0.794 3.904 1.00 0.00 H new ATOM 0 HB VAL A 469 -6.683 -2.207 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 469 -7.856 -3.773 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 469 -8.684 -3.608 4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 469 -9.329 -2.783 2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 469 -6.556 -1.893 1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 469 -7.955 -0.796 1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 469 -6.431 -0.350 2.400 1.00 0.00 H new ATOM 747 N ASP A 470 -9.661 -1.945 6.035 1.00 0.00 N ATOM 748 CA ASP A 470 -9.952 -2.471 7.358 1.00 0.00 C ATOM 749 C ASP A 470 -9.451 -3.914 7.450 1.00 0.00 C ATOM 750 O ASP A 470 -9.481 -4.648 6.463 1.00 0.00 O ATOM 751 CB ASP A 470 -11.457 -2.474 7.631 1.00 0.00 C ATOM 752 CG ASP A 470 -11.884 -3.227 8.892 1.00 0.00 C ATOM 753 OD1 ASP A 470 -11.965 -2.647 9.985 1.00 0.00 O ATOM 754 OD2 ASP A 470 -12.143 -4.479 8.719 1.00 0.00 O ATOM 0 H ASP A 470 -10.425 -2.031 5.364 1.00 0.00 H new ATOM 0 HA ASP A 470 -9.454 -1.835 8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -11.799 -1.442 7.709 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -11.966 -2.914 6.773 1.00 0.00 H new ATOM 760 N ILE A 471 -9.004 -4.277 8.643 1.00 0.00 N ATOM 761 CA ILE A 471 -8.497 -5.618 8.876 1.00 0.00 C ATOM 762 C ILE A 471 -9.284 -6.264 10.018 1.00 0.00 C ATOM 763 O ILE A 471 -9.032 -7.413 10.378 1.00 0.00 O ATOM 764 CB ILE A 471 -6.986 -5.587 9.110 1.00 0.00 C ATOM 765 CG1 ILE A 471 -6.662 -5.150 10.540 1.00 0.00 C ATOM 766 CG2 ILE A 471 -6.287 -4.709 8.070 1.00 0.00 C ATOM 767 CD1 ILE A 471 -5.157 -5.216 10.806 1.00 0.00 C ATOM 0 H ILE A 471 -8.982 -3.665 9.459 1.00 0.00 H new ATOM 0 HA ILE A 471 -8.646 -6.240 7.994 1.00 0.00 H new ATOM 0 HB ILE A 471 -6.601 -6.599 8.987 1.00 0.00 H new ATOM 0 HG12 ILE A 471 -7.019 -4.133 10.703 1.00 0.00 H new ATOM 0 HG13 ILE A 471 -7.188 -5.790 11.248 1.00 0.00 H new ATOM 0 HG21 ILE A 471 -5.214 -4.705 8.260 1.00 0.00 H new ATOM 0 HG22 ILE A 471 -6.478 -5.105 7.072 1.00 0.00 H new ATOM 0 HG23 ILE A 471 -6.671 -3.691 8.136 1.00 0.00 H new ATOM 0 HD11 ILE A 471 -4.954 -4.900 11.829 1.00 0.00 H new ATOM 0 HD12 ILE A 471 -4.807 -6.239 10.666 1.00 0.00 H new ATOM 0 HD13 ILE A 471 -4.636 -4.556 10.113 1.00 0.00 H new ATOM 779 N GLY A 472 -10.221 -5.498 10.556 1.00 0.00 N ATOM 780 CA GLY A 472 -11.046 -5.981 11.651 1.00 0.00 C ATOM 781 C GLY A 472 -10.983 -7.507 11.752 1.00 0.00 C ATOM 782 O GLY A 472 -11.443 -8.212 10.856 1.00 0.00 O ATOM 0 H GLY A 472 -10.428 -4.546 10.254 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -10.710 -5.537 12.588 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -12.078 -5.665 11.500 1.00 0.00 H new ATOM 786 N SER A 473 -10.409 -7.971 12.853 1.00 0.00 N ATOM 787 CA SER A 473 -10.280 -9.400 13.083 1.00 0.00 C ATOM 788 C SER A 473 -8.870 -9.864 12.712 1.00 0.00 C ATOM 789 O SER A 473 -8.494 -11.002 12.990 1.00 0.00 O ATOM 790 CB SER A 473 -11.323 -10.183 12.285 1.00 0.00 C ATOM 791 OG SER A 473 -11.603 -11.451 12.872 1.00 0.00 O ATOM 0 H SER A 473 -10.029 -7.383 13.595 1.00 0.00 H new ATOM 0 HA SER A 473 -10.453 -9.593 14.142 1.00 0.00 H new ATOM 0 HB2 SER A 473 -12.243 -9.602 12.222 1.00 0.00 H new ATOM 0 HB3 SER A 473 -10.966 -10.327 11.265 1.00 0.00 H new ATOM 0 HG SER A 473 -12.275 -11.919 12.334 1.00 0.00 H new ATOM 797 N ALA A 474 -8.128 -8.960 12.090 1.00 0.00 N ATOM 798 CA ALA A 474 -6.768 -9.262 11.678 1.00 0.00 C ATOM 799 C ALA A 474 -5.793 -8.389 12.471 1.00 0.00 C ATOM 800 O ALA A 474 -6.015 -7.190 12.628 1.00 0.00 O ATOM 801 CB ALA A 474 -6.635 -9.061 10.168 1.00 0.00 C ATOM 0 H ALA A 474 -8.443 -8.017 11.861 1.00 0.00 H new ATOM 0 HA ALA A 474 -6.525 -10.303 11.890 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -5.615 -9.288 9.859 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -7.327 -9.725 9.650 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -6.869 -8.026 9.917 1.00 0.00 H new ATOM 807 N SER A 475 -4.734 -9.025 12.950 1.00 0.00 N ATOM 808 CA SER A 475 -3.725 -8.322 13.723 1.00 0.00 C ATOM 809 C SER A 475 -2.727 -7.640 12.784 1.00 0.00 C ATOM 810 O SER A 475 -1.914 -6.827 13.221 1.00 0.00 O ATOM 811 CB SER A 475 -2.994 -9.274 14.672 1.00 0.00 C ATOM 812 OG SER A 475 -1.596 -9.005 14.726 1.00 0.00 O ATOM 0 H SER A 475 -4.553 -10.020 12.817 1.00 0.00 H new ATOM 0 HA SER A 475 -4.224 -7.564 14.326 1.00 0.00 H new ATOM 0 HB2 SER A 475 -3.419 -9.186 15.672 1.00 0.00 H new ATOM 0 HB3 SER A 475 -3.153 -10.302 14.347 1.00 0.00 H new ATOM 0 HG SER A 475 -1.438 -8.056 14.538 1.00 0.00 H new ATOM 818 N GLN A 476 -2.824 -7.995 11.511 1.00 0.00 N ATOM 819 CA GLN A 476 -1.940 -7.428 10.507 1.00 0.00 C ATOM 820 C GLN A 476 -2.601 -7.480 9.128 1.00 0.00 C ATOM 821 O GLN A 476 -3.575 -8.205 8.929 1.00 0.00 O ATOM 822 CB GLN A 476 -0.590 -8.147 10.495 1.00 0.00 C ATOM 823 CG GLN A 476 0.424 -7.425 11.385 1.00 0.00 C ATOM 824 CD GLN A 476 1.853 -7.853 11.046 1.00 0.00 C ATOM 825 OE1 GLN A 476 1.969 -9.133 10.707 1.00 0.00 O flip ATOM 826 NE2 GLN A 476 2.789 -7.071 11.090 1.00 0.00 N flip ATOM 0 H GLN A 476 -3.501 -8.668 11.152 1.00 0.00 H new ATOM 0 HA GLN A 476 -1.756 -6.384 10.761 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -0.717 -9.173 10.841 1.00 0.00 H new ATOM 0 HB3 GLN A 476 -0.211 -8.199 9.474 1.00 0.00 H new ATOM 0 HG2 GLN A 476 0.323 -6.347 11.257 1.00 0.00 H new ATOM 0 HG3 GLN A 476 0.214 -7.643 12.432 1.00 0.00 H new ATOM 0 HE21 GLN A 476 2.630 -6.100 11.359 1.00 0.00 H new ATOM 0 HE22 GLN A 476 3.730 -7.389 10.858 1.00 0.00 H new ATOM 835 N LEU A 477 -2.045 -6.702 8.211 1.00 0.00 N ATOM 836 CA LEU A 477 -2.569 -6.650 6.856 1.00 0.00 C ATOM 837 C LEU A 477 -1.407 -6.523 5.869 1.00 0.00 C ATOM 838 O LEU A 477 -0.436 -5.816 6.136 1.00 0.00 O ATOM 839 CB LEU A 477 -3.610 -5.536 6.727 1.00 0.00 C ATOM 840 CG LEU A 477 -3.706 -4.864 5.355 1.00 0.00 C ATOM 841 CD1 LEU A 477 -2.366 -4.248 4.951 1.00 0.00 C ATOM 842 CD2 LEU A 477 -4.228 -5.843 4.301 1.00 0.00 C ATOM 0 H LEU A 477 -1.237 -6.103 8.379 1.00 0.00 H new ATOM 0 HA LEU A 477 -3.093 -7.575 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -4.588 -5.948 6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -3.388 -4.770 7.470 1.00 0.00 H new ATOM 0 HG LEU A 477 -4.427 -4.049 5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.462 -3.777 3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -2.073 -3.499 5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -1.606 -5.028 4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -4.287 -5.341 3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -3.550 -6.693 4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -5.219 -6.193 4.589 1.00 0.00 H new ATOM 854 N GLU A 478 -1.544 -7.219 4.751 1.00 0.00 N ATOM 855 CA GLU A 478 -0.517 -7.194 3.723 1.00 0.00 C ATOM 856 C GLU A 478 -0.875 -6.174 2.640 1.00 0.00 C ATOM 857 O GLU A 478 -2.051 -5.956 2.351 1.00 0.00 O ATOM 858 CB GLU A 478 -0.312 -8.585 3.119 1.00 0.00 C ATOM 859 CG GLU A 478 0.966 -9.232 3.657 1.00 0.00 C ATOM 860 CD GLU A 478 0.641 -10.456 4.516 1.00 0.00 C ATOM 861 OE1 GLU A 478 -0.194 -11.284 4.125 1.00 0.00 O ATOM 862 OE2 GLU A 478 1.291 -10.529 5.628 1.00 0.00 O ATOM 0 H GLU A 478 -2.351 -7.804 4.534 1.00 0.00 H new ATOM 0 HA GLU A 478 0.423 -6.891 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 478 -1.169 -9.217 3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 478 -0.257 -8.510 2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 478 1.607 -9.526 2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 478 1.524 -8.506 4.248 1.00 0.00 H new ATOM 870 N ALA A 479 0.161 -5.575 2.071 1.00 0.00 N ATOM 871 CA ALA A 479 -0.030 -4.583 1.026 1.00 0.00 C ATOM 872 C ALA A 479 1.001 -4.810 -0.081 1.00 0.00 C ATOM 873 O ALA A 479 2.061 -5.386 0.161 1.00 0.00 O ATOM 874 CB ALA A 479 0.064 -3.181 1.631 1.00 0.00 C ATOM 0 H ALA A 479 1.135 -5.757 2.314 1.00 0.00 H new ATOM 0 HA ALA A 479 -1.020 -4.681 0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 479 -0.079 -2.436 0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 479 -0.707 -3.060 2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 479 1.046 -3.046 2.085 1.00 0.00 H new ATOM 880 N ALA A 480 0.655 -4.345 -1.273 1.00 0.00 N ATOM 881 CA ALA A 480 1.537 -4.491 -2.418 1.00 0.00 C ATOM 882 C ALA A 480 1.405 -3.260 -3.317 1.00 0.00 C ATOM 883 O ALA A 480 0.338 -2.654 -3.394 1.00 0.00 O ATOM 884 CB ALA A 480 1.206 -5.790 -3.156 1.00 0.00 C ATOM 0 H ALA A 480 -0.224 -3.867 -1.470 1.00 0.00 H new ATOM 0 HA ALA A 480 2.576 -4.555 -2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 480 1.868 -5.899 -4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 480 1.343 -6.636 -2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 480 0.171 -5.761 -3.497 1.00 0.00 H new ATOM 890 N PHE A 481 2.506 -2.927 -3.975 1.00 0.00 N ATOM 891 CA PHE A 481 2.527 -1.779 -4.866 1.00 0.00 C ATOM 892 C PHE A 481 2.638 -2.220 -6.326 1.00 0.00 C ATOM 893 O PHE A 481 3.293 -3.216 -6.630 1.00 0.00 O ATOM 894 CB PHE A 481 3.762 -0.952 -4.500 1.00 0.00 C ATOM 895 CG PHE A 481 4.164 0.070 -5.566 1.00 0.00 C ATOM 896 CD1 PHE A 481 3.219 0.861 -6.140 1.00 0.00 C ATOM 897 CD2 PHE A 481 5.467 0.187 -5.938 1.00 0.00 C ATOM 898 CE1 PHE A 481 3.592 1.809 -7.129 1.00 0.00 C ATOM 899 CE2 PHE A 481 5.840 1.135 -6.927 1.00 0.00 C ATOM 900 CZ PHE A 481 4.895 1.926 -7.502 1.00 0.00 C ATOM 0 H PHE A 481 3.390 -3.432 -3.909 1.00 0.00 H new ATOM 0 HA PHE A 481 1.606 -1.206 -4.757 1.00 0.00 H new ATOM 0 HB2 PHE A 481 3.572 -0.429 -3.563 1.00 0.00 H new ATOM 0 HB3 PHE A 481 4.600 -1.627 -4.324 1.00 0.00 H new ATOM 0 HD1 PHE A 481 2.185 0.768 -5.844 1.00 0.00 H new ATOM 0 HD2 PHE A 481 6.218 -0.441 -5.481 1.00 0.00 H new ATOM 0 HE1 PHE A 481 2.841 2.437 -7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 481 6.875 1.228 -7.223 1.00 0.00 H new ATOM 0 HZ PHE A 481 5.179 2.647 -8.254 1.00 0.00 H new ATOM 910 N ASN A 482 1.987 -1.457 -7.192 1.00 0.00 N ATOM 911 CA ASN A 482 2.003 -1.757 -8.614 1.00 0.00 C ATOM 912 C ASN A 482 1.593 -0.510 -9.399 1.00 0.00 C ATOM 913 O ASN A 482 0.647 0.181 -9.023 1.00 0.00 O ATOM 914 CB ASN A 482 1.015 -2.875 -8.952 1.00 0.00 C ATOM 915 CG ASN A 482 0.795 -3.796 -7.750 1.00 0.00 C ATOM 916 OD1 ASN A 482 1.578 -4.687 -7.466 1.00 0.00 O ATOM 917 ND2 ASN A 482 -0.312 -3.531 -7.062 1.00 0.00 N ATOM 0 H ASN A 482 1.445 -0.632 -6.936 1.00 0.00 H new ATOM 0 HA ASN A 482 3.011 -2.074 -8.880 1.00 0.00 H new ATOM 0 HB2 ASN A 482 0.064 -2.443 -9.262 1.00 0.00 H new ATOM 0 HB3 ASN A 482 1.391 -3.455 -9.795 1.00 0.00 H new ATOM 0 HD21 ASN A 482 -0.549 -4.089 -6.242 1.00 0.00 H new ATOM 0 HD22 ASN A 482 -0.924 -2.770 -7.355 1.00 0.00 H new ATOM 924 N ASP A 483 2.324 -0.259 -10.475 1.00 0.00 N ATOM 925 CA ASP A 483 2.048 0.893 -11.315 1.00 0.00 C ATOM 926 C ASP A 483 0.803 0.617 -12.160 1.00 0.00 C ATOM 927 O ASP A 483 0.312 1.503 -12.858 1.00 0.00 O ATOM 928 CB ASP A 483 3.213 1.171 -12.268 1.00 0.00 C ATOM 929 CG ASP A 483 3.827 -0.070 -12.919 1.00 0.00 C ATOM 930 OD1 ASP A 483 3.459 -1.209 -12.595 1.00 0.00 O ATOM 931 OD2 ASP A 483 4.731 0.171 -13.807 1.00 0.00 O ATOM 0 H ASP A 483 3.107 -0.834 -10.784 1.00 0.00 H new ATOM 0 HA ASP A 483 1.898 1.755 -10.665 1.00 0.00 H new ATOM 0 HB2 ASP A 483 2.867 1.842 -13.054 1.00 0.00 H new ATOM 0 HB3 ASP A 483 3.993 1.699 -11.719 1.00 0.00 H new ATOM 1097 N ASN A 495 4.861 -9.930 -0.491 1.00 0.00 N ATOM 1098 CA ASN A 495 4.005 -8.791 -0.207 1.00 0.00 C ATOM 1099 C ASN A 495 4.386 -8.198 1.150 1.00 0.00 C ATOM 1100 O ASN A 495 4.842 -8.915 2.039 1.00 0.00 O ATOM 1101 CB ASN A 495 2.535 -9.210 -0.144 1.00 0.00 C ATOM 1102 CG ASN A 495 1.713 -8.489 -1.215 1.00 0.00 C ATOM 1103 OD1 ASN A 495 1.363 -7.327 -1.089 1.00 0.00 O ATOM 1104 ND2 ASN A 495 1.425 -9.241 -2.274 1.00 0.00 N ATOM 0 HA ASN A 495 4.138 -8.061 -1.006 1.00 0.00 H new ATOM 0 HB2 ASN A 495 2.454 -10.288 -0.283 1.00 0.00 H new ATOM 0 HB3 ASN A 495 2.131 -8.985 0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 495 0.880 -8.851 -3.043 1.00 0.00 H new ATOM 0 HD22 ASN A 495 1.749 -10.207 -2.317 1.00 0.00 H new ATOM 1111 N TYR A 496 4.185 -6.893 1.268 1.00 0.00 N ATOM 1112 CA TYR A 496 4.502 -6.195 2.502 1.00 0.00 C ATOM 1113 C TYR A 496 3.428 -6.442 3.563 1.00 0.00 C ATOM 1114 O TYR A 496 2.283 -6.745 3.234 1.00 0.00 O ATOM 1115 CB TYR A 496 4.522 -4.706 2.151 1.00 0.00 C ATOM 1116 CG TYR A 496 5.664 -4.302 1.216 1.00 0.00 C ATOM 1117 CD1 TYR A 496 6.967 -4.322 1.670 1.00 0.00 C ATOM 1118 CD2 TYR A 496 5.390 -3.918 -0.081 1.00 0.00 C ATOM 1119 CE1 TYR A 496 8.042 -3.942 0.790 1.00 0.00 C ATOM 1120 CE2 TYR A 496 6.465 -3.538 -0.961 1.00 0.00 C ATOM 1121 CZ TYR A 496 7.738 -3.569 -0.482 1.00 0.00 C ATOM 1122 OH TYR A 496 8.753 -3.210 -1.314 1.00 0.00 O ATOM 0 H TYR A 496 3.806 -6.301 0.529 1.00 0.00 H new ATOM 0 HA TYR A 496 5.453 -6.542 2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 496 3.573 -4.440 1.685 1.00 0.00 H new ATOM 0 HB3 TYR A 496 4.598 -4.127 3.072 1.00 0.00 H new ATOM 0 HD1 TYR A 496 7.181 -4.623 2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 496 4.370 -3.902 -0.436 1.00 0.00 H new ATOM 0 HE1 TYR A 496 9.066 -3.953 1.132 1.00 0.00 H new ATOM 0 HE2 TYR A 496 6.265 -3.235 -1.978 1.00 0.00 H new ATOM 0 HH TYR A 496 8.511 -3.428 -2.238 1.00 0.00 H new ATOM 1132 N SER A 497 3.837 -6.304 4.816 1.00 0.00 N ATOM 1133 CA SER A 497 2.924 -6.509 5.928 1.00 0.00 C ATOM 1134 C SER A 497 2.928 -5.281 6.841 1.00 0.00 C ATOM 1135 O SER A 497 3.983 -4.714 7.120 1.00 0.00 O ATOM 1136 CB SER A 497 3.297 -7.762 6.722 1.00 0.00 C ATOM 1137 OG SER A 497 2.580 -7.848 7.951 1.00 0.00 O ATOM 0 H SER A 497 4.788 -6.053 5.086 1.00 0.00 H new ATOM 0 HA SER A 497 1.921 -6.652 5.526 1.00 0.00 H new ATOM 0 HB2 SER A 497 3.092 -8.647 6.120 1.00 0.00 H new ATOM 0 HB3 SER A 497 4.368 -7.756 6.926 1.00 0.00 H new ATOM 0 HG SER A 497 2.451 -8.790 8.189 1.00 0.00 H new ATOM 1143 N PHE A 498 1.735 -4.907 7.281 1.00 0.00 N ATOM 1144 CA PHE A 498 1.587 -3.757 8.156 1.00 0.00 C ATOM 1145 C PHE A 498 0.535 -4.020 9.235 1.00 0.00 C ATOM 1146 O PHE A 498 -0.503 -4.621 8.961 1.00 0.00 O ATOM 1147 CB PHE A 498 1.125 -2.588 7.284 1.00 0.00 C ATOM 1148 CG PHE A 498 1.809 -2.522 5.917 1.00 0.00 C ATOM 1149 CD1 PHE A 498 1.595 -3.504 5.001 1.00 0.00 C ATOM 1150 CD2 PHE A 498 2.632 -1.481 5.618 1.00 0.00 C ATOM 1151 CE1 PHE A 498 2.230 -3.444 3.733 1.00 0.00 C ATOM 1152 CE2 PHE A 498 3.268 -1.421 4.350 1.00 0.00 C ATOM 1153 CZ PHE A 498 3.053 -2.403 3.434 1.00 0.00 C ATOM 0 H PHE A 498 0.862 -5.380 7.048 1.00 0.00 H new ATOM 0 HA PHE A 498 2.533 -3.544 8.654 1.00 0.00 H new ATOM 0 HB2 PHE A 498 0.048 -2.662 7.136 1.00 0.00 H new ATOM 0 HB3 PHE A 498 1.310 -1.655 7.817 1.00 0.00 H new ATOM 0 HD1 PHE A 498 0.941 -4.330 5.239 1.00 0.00 H new ATOM 0 HD2 PHE A 498 2.802 -0.700 6.345 1.00 0.00 H new ATOM 0 HE1 PHE A 498 2.060 -4.224 3.006 1.00 0.00 H new ATOM 0 HE2 PHE A 498 3.923 -0.595 4.113 1.00 0.00 H new ATOM 0 HZ PHE A 498 3.536 -2.356 2.469 1.00 0.00 H new ATOM 1163 N SER A 499 0.839 -3.558 10.439 1.00 0.00 N ATOM 1164 CA SER A 499 -0.068 -3.737 11.560 1.00 0.00 C ATOM 1165 C SER A 499 -0.985 -2.520 11.690 1.00 0.00 C ATOM 1166 O SER A 499 -0.581 -1.398 11.386 1.00 0.00 O ATOM 1167 CB SER A 499 0.704 -3.961 12.862 1.00 0.00 C ATOM 1168 OG SER A 499 2.093 -3.681 12.714 1.00 0.00 O ATOM 0 H SER A 499 1.701 -3.060 10.663 1.00 0.00 H new ATOM 0 HA SER A 499 -0.675 -4.623 11.371 1.00 0.00 H new ATOM 0 HB2 SER A 499 0.288 -3.326 13.644 1.00 0.00 H new ATOM 0 HB3 SER A 499 0.575 -4.993 13.187 1.00 0.00 H new ATOM 0 HG SER A 499 2.550 -3.834 13.567 1.00 0.00 H new ATOM 1174 N THR A 500 -2.203 -2.782 12.142 1.00 0.00 N ATOM 1175 CA THR A 500 -3.181 -1.722 12.315 1.00 0.00 C ATOM 1176 C THR A 500 -2.480 -0.379 12.528 1.00 0.00 C ATOM 1177 O THR A 500 -1.505 -0.295 13.273 1.00 0.00 O ATOM 1178 CB THR A 500 -4.105 -2.115 13.470 1.00 0.00 C ATOM 1179 OG1 THR A 500 -3.213 -2.437 14.534 1.00 0.00 O ATOM 1180 CG2 THR A 500 -4.853 -3.423 13.202 1.00 0.00 C ATOM 0 H THR A 500 -2.534 -3.713 12.394 1.00 0.00 H new ATOM 0 HA THR A 500 -3.791 -1.597 11.420 1.00 0.00 H new ATOM 0 HB THR A 500 -4.824 -1.315 13.648 1.00 0.00 H new ATOM 0 HG1 THR A 500 -2.419 -1.865 14.480 1.00 0.00 H new ATOM 0 HG21 THR A 500 -5.494 -3.656 14.052 1.00 0.00 H new ATOM 0 HG22 THR A 500 -5.463 -3.316 12.305 1.00 0.00 H new ATOM 0 HG23 THR A 500 -4.135 -4.230 13.058 1.00 0.00 H new ATOM 1188 N GLY A 501 -3.005 0.639 11.861 1.00 0.00 N ATOM 1189 CA GLY A 501 -2.441 1.974 11.968 1.00 0.00 C ATOM 1190 C GLY A 501 -2.205 2.581 10.583 1.00 0.00 C ATOM 1191 O GLY A 501 -2.952 2.307 9.646 1.00 0.00 O ATOM 0 H GLY A 501 -3.815 0.566 11.245 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -3.115 2.613 12.539 1.00 0.00 H new ATOM 0 HA3 GLY A 501 -1.500 1.932 12.516 1.00 0.00 H new ATOM 1195 N THR A 502 -1.162 3.395 10.499 1.00 0.00 N ATOM 1196 CA THR A 502 -0.819 4.044 9.246 1.00 0.00 C ATOM 1197 C THR A 502 0.663 3.836 8.926 1.00 0.00 C ATOM 1198 O THR A 502 1.511 3.924 9.812 1.00 0.00 O ATOM 1199 CB THR A 502 -1.216 5.517 9.351 1.00 0.00 C ATOM 1200 OG1 THR A 502 -2.522 5.484 9.921 1.00 0.00 O ATOM 1201 CG2 THR A 502 -1.423 6.168 7.982 1.00 0.00 C ATOM 0 H THR A 502 -0.544 3.619 11.279 1.00 0.00 H new ATOM 0 HA THR A 502 -1.365 3.604 8.411 1.00 0.00 H new ATOM 0 HB THR A 502 -0.447 6.062 9.898 1.00 0.00 H new ATOM 0 HG1 THR A 502 -2.856 6.399 10.026 1.00 0.00 H new ATOM 0 HG21 THR A 502 -1.703 7.213 8.115 1.00 0.00 H new ATOM 0 HG22 THR A 502 -0.498 6.110 7.408 1.00 0.00 H new ATOM 0 HG23 THR A 502 -2.215 5.645 7.446 1.00 0.00 H new ATOM 1209 N SER A 503 0.929 3.563 7.657 1.00 0.00 N ATOM 1210 CA SER A 503 2.293 3.342 7.209 1.00 0.00 C ATOM 1211 C SER A 503 2.545 4.097 5.903 1.00 0.00 C ATOM 1212 O SER A 503 1.627 4.289 5.106 1.00 0.00 O ATOM 1213 CB SER A 503 2.576 1.850 7.023 1.00 0.00 C ATOM 1214 OG SER A 503 1.653 1.239 6.126 1.00 0.00 O ATOM 0 H SER A 503 0.223 3.490 6.925 1.00 0.00 H new ATOM 0 HA SER A 503 2.970 3.720 7.975 1.00 0.00 H new ATOM 0 HB2 SER A 503 3.590 1.718 6.645 1.00 0.00 H new ATOM 0 HB3 SER A 503 2.528 1.349 7.990 1.00 0.00 H new ATOM 0 HG SER A 503 2.128 0.602 5.552 1.00 0.00 H new ATOM 1220 N THR A 504 3.792 4.505 5.723 1.00 0.00 N ATOM 1221 CA THR A 504 4.176 5.235 4.526 1.00 0.00 C ATOM 1222 C THR A 504 5.037 4.355 3.618 1.00 0.00 C ATOM 1223 O THR A 504 5.905 3.626 4.095 1.00 0.00 O ATOM 1224 CB THR A 504 4.874 6.524 4.963 1.00 0.00 C ATOM 1225 OG1 THR A 504 3.810 7.360 5.411 1.00 0.00 O ATOM 1226 CG2 THR A 504 5.479 7.290 3.785 1.00 0.00 C ATOM 0 H THR A 504 4.550 4.344 6.386 1.00 0.00 H new ATOM 0 HA THR A 504 3.304 5.506 3.931 1.00 0.00 H new ATOM 0 HB THR A 504 5.658 6.287 5.683 1.00 0.00 H new ATOM 0 HG1 THR A 504 3.909 7.529 6.371 1.00 0.00 H new ATOM 0 HG21 THR A 504 5.962 8.196 4.150 1.00 0.00 H new ATOM 0 HG22 THR A 504 6.216 6.663 3.283 1.00 0.00 H new ATOM 0 HG23 THR A 504 4.691 7.557 3.081 1.00 0.00 H new ATOM 1234 N TYR A 505 4.768 4.453 2.324 1.00 0.00 N ATOM 1235 CA TYR A 505 5.507 3.676 1.345 1.00 0.00 C ATOM 1236 C TYR A 505 6.252 4.589 0.369 1.00 0.00 C ATOM 1237 O TYR A 505 5.645 5.443 -0.274 1.00 0.00 O ATOM 1238 CB TYR A 505 4.462 2.868 0.572 1.00 0.00 C ATOM 1239 CG TYR A 505 5.055 1.769 -0.312 1.00 0.00 C ATOM 1240 CD1 TYR A 505 5.925 2.097 -1.332 1.00 0.00 C ATOM 1241 CD2 TYR A 505 4.719 0.449 -0.090 1.00 0.00 C ATOM 1242 CE1 TYR A 505 6.482 1.063 -2.164 1.00 0.00 C ATOM 1243 CE2 TYR A 505 5.276 -0.586 -0.922 1.00 0.00 C ATOM 1244 CZ TYR A 505 6.130 -0.228 -1.918 1.00 0.00 C ATOM 1245 OH TYR A 505 6.657 -1.205 -2.704 1.00 0.00 O ATOM 0 H TYR A 505 4.048 5.059 1.931 1.00 0.00 H new ATOM 0 HA TYR A 505 6.246 3.043 1.836 1.00 0.00 H new ATOM 0 HB2 TYR A 505 3.770 2.415 1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 505 3.880 3.547 -0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 505 6.188 3.130 -1.506 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.038 0.192 0.708 1.00 0.00 H new ATOM 0 HE1 TYR A 505 7.164 1.306 -2.965 1.00 0.00 H new ATOM 0 HE2 TYR A 505 5.021 -1.623 -0.759 1.00 0.00 H new ATOM 0 HH TYR A 505 7.095 -1.877 -2.141 1.00 0.00 H new ATOM 1255 N THR A 506 7.557 4.376 0.289 1.00 0.00 N ATOM 1256 CA THR A 506 8.392 5.170 -0.597 1.00 0.00 C ATOM 1257 C THR A 506 9.321 4.264 -1.408 1.00 0.00 C ATOM 1258 O THR A 506 9.736 3.209 -0.931 1.00 0.00 O ATOM 1259 CB THR A 506 9.137 6.201 0.253 1.00 0.00 C ATOM 1260 OG1 THR A 506 8.194 7.254 0.427 1.00 0.00 O ATOM 1261 CG2 THR A 506 10.294 6.857 -0.504 1.00 0.00 C ATOM 0 H THR A 506 8.057 3.665 0.823 1.00 0.00 H new ATOM 0 HA THR A 506 7.791 5.707 -1.331 1.00 0.00 H new ATOM 0 HB THR A 506 9.519 5.721 1.154 1.00 0.00 H new ATOM 0 HG1 THR A 506 8.594 7.965 0.969 1.00 0.00 H new ATOM 0 HG21 THR A 506 10.789 7.580 0.144 1.00 0.00 H new ATOM 0 HG22 THR A 506 11.009 6.093 -0.808 1.00 0.00 H new ATOM 0 HG23 THR A 506 9.909 7.366 -1.388 1.00 0.00 H new ATOM 1269 N PRO A 507 9.629 4.721 -2.651 1.00 0.00 N ATOM 1270 CA PRO A 507 10.501 3.964 -3.532 1.00 0.00 C ATOM 1271 C PRO A 507 11.961 4.080 -3.091 1.00 0.00 C ATOM 1272 O PRO A 507 12.386 5.130 -2.609 1.00 0.00 O ATOM 1273 CB PRO A 507 10.252 4.535 -4.919 1.00 0.00 C ATOM 1274 CG PRO A 507 9.603 5.892 -4.699 1.00 0.00 C ATOM 1275 CD PRO A 507 9.155 5.966 -3.249 1.00 0.00 C ATOM 0 HA PRO A 507 10.292 2.894 -3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 507 11.185 4.633 -5.474 1.00 0.00 H new ATOM 0 HB3 PRO A 507 9.602 3.881 -5.500 1.00 0.00 H new ATOM 0 HG2 PRO A 507 10.308 6.693 -4.922 1.00 0.00 H new ATOM 0 HG3 PRO A 507 8.752 6.021 -5.368 1.00 0.00 H new ATOM 0 HD2 PRO A 507 9.581 6.834 -2.747 1.00 0.00 H new ATOM 0 HD3 PRO A 507 8.071 6.054 -3.173 1.00 0.00 H new ATOM 1346 N GLY A 514 11.489 -0.148 -2.152 1.00 0.00 N ATOM 1347 CA GLY A 514 10.208 -0.107 -1.468 1.00 0.00 C ATOM 1348 C GLY A 514 10.399 0.025 0.045 1.00 0.00 C ATOM 1349 O GLY A 514 10.514 -0.976 0.750 1.00 0.00 O ATOM 0 HA2 GLY A 514 9.620 0.733 -1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 514 9.644 -1.013 -1.689 1.00 0.00 H new ATOM 1353 N THR A 515 10.427 1.270 0.498 1.00 0.00 N ATOM 1354 CA THR A 515 10.602 1.546 1.914 1.00 0.00 C ATOM 1355 C THR A 515 9.243 1.715 2.597 1.00 0.00 C ATOM 1356 O THR A 515 8.321 2.288 2.019 1.00 0.00 O ATOM 1357 CB THR A 515 11.505 2.774 2.048 1.00 0.00 C ATOM 1358 OG1 THR A 515 11.213 3.548 0.888 1.00 0.00 O ATOM 1359 CG2 THR A 515 12.988 2.429 1.901 1.00 0.00 C ATOM 0 H THR A 515 10.332 2.098 -0.090 1.00 0.00 H new ATOM 0 HA THR A 515 11.085 0.711 2.422 1.00 0.00 H new ATOM 0 HB THR A 515 11.336 3.245 3.017 1.00 0.00 H new ATOM 0 HG1 THR A 515 10.244 3.572 0.746 1.00 0.00 H new ATOM 0 HG21 THR A 515 13.584 3.335 2.004 1.00 0.00 H new ATOM 0 HG22 THR A 515 13.274 1.716 2.674 1.00 0.00 H new ATOM 0 HG23 THR A 515 13.164 1.989 0.919 1.00 0.00 H new ATOM 1367 N ILE A 516 9.162 1.204 3.817 1.00 0.00 N ATOM 1368 CA ILE A 516 7.931 1.290 4.584 1.00 0.00 C ATOM 1369 C ILE A 516 8.209 2.009 5.906 1.00 0.00 C ATOM 1370 O ILE A 516 9.239 1.779 6.538 1.00 0.00 O ATOM 1371 CB ILE A 516 7.310 -0.097 4.757 1.00 0.00 C ATOM 1372 CG1 ILE A 516 7.324 -0.873 3.438 1.00 0.00 C ATOM 1373 CG2 ILE A 516 5.902 0.003 5.348 1.00 0.00 C ATOM 1374 CD1 ILE A 516 7.771 -2.319 3.658 1.00 0.00 C ATOM 0 H ILE A 516 9.929 0.729 4.293 1.00 0.00 H new ATOM 0 HA ILE A 516 7.188 1.882 4.049 1.00 0.00 H new ATOM 0 HB ILE A 516 7.919 -0.658 5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 516 6.329 -0.860 2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 516 7.995 -0.385 2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 516 5.483 -0.997 5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 516 5.950 0.488 6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 516 5.269 0.589 4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 516 7.772 -2.848 2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 516 8.776 -2.329 4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 516 7.084 -2.812 4.346 1.00 0.00 H new ATOM 1386 N THR A 517 7.272 2.865 6.285 1.00 0.00 N ATOM 1387 CA THR A 517 7.402 3.620 7.520 1.00 0.00 C ATOM 1388 C THR A 517 6.129 3.494 8.359 1.00 0.00 C ATOM 1389 O THR A 517 5.075 3.126 7.843 1.00 0.00 O ATOM 1390 CB THR A 517 7.751 5.064 7.157 1.00 0.00 C ATOM 1391 OG1 THR A 517 7.450 5.156 5.767 1.00 0.00 O ATOM 1392 CG2 THR A 517 9.254 5.340 7.232 1.00 0.00 C ATOM 0 H THR A 517 6.419 3.053 5.758 1.00 0.00 H new ATOM 0 HA THR A 517 8.204 3.224 8.143 1.00 0.00 H new ATOM 0 HB THR A 517 7.223 5.743 7.826 1.00 0.00 H new ATOM 0 HG1 THR A 517 7.720 6.036 5.431 1.00 0.00 H new ATOM 0 HG21 THR A 517 9.447 6.379 6.965 1.00 0.00 H new ATOM 0 HG22 THR A 517 9.608 5.154 8.246 1.00 0.00 H new ATOM 0 HG23 THR A 517 9.780 4.684 6.538 1.00 0.00 H new ATOM 1400 N SER A 518 6.268 3.808 9.639 1.00 0.00 N ATOM 1401 CA SER A 518 5.142 3.735 10.554 1.00 0.00 C ATOM 1402 C SER A 518 4.648 5.143 10.889 1.00 0.00 C ATOM 1403 O SER A 518 5.158 5.783 11.807 1.00 0.00 O ATOM 1404 CB SER A 518 5.521 2.987 11.834 1.00 0.00 C ATOM 1405 OG SER A 518 5.544 1.576 11.641 1.00 0.00 O ATOM 0 H SER A 518 7.144 4.114 10.064 1.00 0.00 H new ATOM 0 HA SER A 518 4.339 3.182 10.066 1.00 0.00 H new ATOM 0 HB2 SER A 518 6.501 3.322 12.173 1.00 0.00 H new ATOM 0 HB3 SER A 518 4.809 3.233 12.622 1.00 0.00 H new ATOM 0 HG SER A 518 5.792 1.135 12.480 1.00 0.00 H new ATOM 1411 N GLY A 519 3.659 5.586 10.125 1.00 0.00 N ATOM 1412 CA GLY A 519 3.090 6.907 10.329 1.00 0.00 C ATOM 1413 C GLY A 519 3.157 7.737 9.045 1.00 0.00 C ATOM 1414 O GLY A 519 4.191 7.775 8.380 1.00 0.00 O ATOM 0 H GLY A 519 3.238 5.053 9.364 1.00 0.00 H new ATOM 0 HA2 GLY A 519 2.053 6.814 10.653 1.00 0.00 H new ATOM 0 HA3 GLY A 519 3.628 7.420 11.126 1.00 0.00 H new ATOM 1418 N ALA A 520 2.041 8.381 8.736 1.00 0.00 N ATOM 1419 CA ALA A 520 1.961 9.207 7.543 1.00 0.00 C ATOM 1420 C ALA A 520 3.028 10.302 7.613 1.00 0.00 C ATOM 1421 O ALA A 520 3.480 10.664 8.698 1.00 0.00 O ATOM 1422 CB ALA A 520 0.547 9.778 7.413 1.00 0.00 C ATOM 0 H ALA A 520 1.185 8.348 9.290 1.00 0.00 H new ATOM 0 HA ALA A 520 2.157 8.613 6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 520 0.486 10.398 6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -0.170 8.960 7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 520 0.317 10.383 8.290 1.00 0.00 H new ATOM 1428 N PRO A 521 3.409 10.811 6.411 1.00 0.00 N ATOM 1429 CA PRO A 521 4.414 11.856 6.326 1.00 0.00 C ATOM 1430 C PRO A 521 3.837 13.207 6.754 1.00 0.00 C ATOM 1431 O PRO A 521 2.648 13.465 6.572 1.00 0.00 O ATOM 1432 CB PRO A 521 4.877 11.840 4.878 1.00 0.00 C ATOM 1433 CG PRO A 521 3.792 11.110 4.102 1.00 0.00 C ATOM 1434 CD PRO A 521 2.895 10.406 5.106 1.00 0.00 C ATOM 0 HA PRO A 521 5.254 11.688 7.001 1.00 0.00 H new ATOM 0 HB2 PRO A 521 5.013 12.853 4.500 1.00 0.00 H new ATOM 0 HB3 PRO A 521 5.836 11.332 4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 521 3.215 11.812 3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 521 4.234 10.389 3.414 1.00 0.00 H new ATOM 0 HD2 PRO A 521 1.853 10.702 4.982 1.00 0.00 H new ATOM 0 HD3 PRO A 521 2.936 9.324 4.983 1.00 0.00 H new