USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 872 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 581 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 515 SER OG : rot 180:sc= 0.477 USER MOD Set 2.2: A 649 SER OG : rot -102:sc= 0.481 USER MOD Single : A 506 THR OG1 : rot 28:sc= 0.125 USER MOD Single : A 512 THR OG1 : rot 105:sc= 1.16 USER MOD Single : A 513 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.48) USER MOD Single : A 517 SER OG : rot -35:sc= 0.186 USER MOD Single : A 521 MET CE :methyl 156:sc= -5.04! (180deg=-5.78!) USER MOD Single : A 524 LYS NZ :NH3+ 170:sc= -0.0303 (180deg=-0.135) USER MOD Single : A 528 THR OG1 : rot -121:sc= -0.725! USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN :FLIP amide:sc= -2.06 F(o=-6.8!,f=-2.1) USER MOD Single : A 539 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 THR OG1 : rot 79:sc= 0.686 USER MOD Single : A 545 THR OG1 : rot -24:sc= 0.267 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 CYS SG : rot 43:sc= -0.072 USER MOD Single : A 563 GLN : amide:sc= -0.0836 X(o=-0.084,f=-0.44) USER MOD Single : A 564 ASN : amide:sc=-0.00638 X(o=-0.0064,f=0) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 THR OG1 : rot 156:sc= 1.23 USER MOD Single : A 572 SER OG : rot 42:sc= 0.122 USER MOD Single : A 574 LYS NZ :NH3+ 170:sc= -0.0094 (180deg=-0.133) USER MOD Single : A 584 ASN : amide:sc= -0.0129 K(o=-0.013,f=-1.2) USER MOD Single : A 585 LYS NZ :NH3+ -155:sc= 3.04 (180deg=2.22) USER MOD Single : A 586 THR OG1 : rot 29:sc= 1.02 USER MOD Single : A 639 HIS : no HD1:sc= -0.0565 X(o=-0.056,f=-0.065) USER MOD Single : A 640 THR OG1 : rot 46:sc= 0.418 USER MOD Single : A 641 LYS NZ :NH3+ 158:sc= -0.123 (180deg=-0.593) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -5.125 -12.888 -3.612 1.00 45.23 N ATOM 29 CA GLY A 503 -5.187 -12.027 -2.498 1.00 32.25 C ATOM 30 C GLY A 503 -5.334 -10.600 -2.896 1.00 65.32 C ATOM 31 O GLY A 503 -4.587 -10.101 -3.707 1.00 34.15 O ATOM 0 HA2 GLY A 503 -6.027 -12.314 -1.866 1.00 32.25 H new ATOM 0 HA3 GLY A 503 -4.283 -12.144 -1.900 1.00 32.25 H new ATOM 35 N ILE A 504 -6.335 -9.980 -2.367 1.00 43.14 N ATOM 36 CA ILE A 504 -6.569 -8.580 -2.548 1.00 54.21 C ATOM 37 C ILE A 504 -5.921 -7.843 -1.379 1.00 20.14 C ATOM 38 O ILE A 504 -6.455 -7.829 -0.271 1.00 2.32 O ATOM 39 CB ILE A 504 -8.102 -8.213 -2.599 1.00 4.33 C ATOM 40 CG1 ILE A 504 -8.833 -8.818 -3.827 1.00 5.30 C ATOM 41 CG2 ILE A 504 -8.311 -6.702 -2.558 1.00 74.34 C ATOM 42 CD1 ILE A 504 -9.070 -10.317 -3.774 1.00 63.44 C ATOM 0 H ILE A 504 -7.032 -10.441 -1.782 1.00 43.14 H new ATOM 0 HA ILE A 504 -6.141 -8.287 -3.507 1.00 54.21 H new ATOM 0 HB ILE A 504 -8.545 -8.660 -1.709 1.00 4.33 H new ATOM 0 HG12 ILE A 504 -9.796 -8.319 -3.937 1.00 5.30 H new ATOM 0 HG13 ILE A 504 -8.253 -8.591 -4.721 1.00 5.30 H new ATOM 0 HG21 ILE A 504 -9.378 -6.481 -2.595 1.00 74.34 H new ATOM 0 HG22 ILE A 504 -7.889 -6.301 -1.636 1.00 74.34 H new ATOM 0 HG23 ILE A 504 -7.816 -6.243 -3.414 1.00 74.34 H new ATOM 0 HD11 ILE A 504 -9.587 -10.636 -4.679 1.00 63.44 H new ATOM 0 HD12 ILE A 504 -8.113 -10.834 -3.701 1.00 63.44 H new ATOM 0 HD13 ILE A 504 -9.680 -10.558 -2.904 1.00 63.44 H new ATOM 54 N PHE A 505 -4.751 -7.329 -1.598 1.00 30.13 N ATOM 55 CA PHE A 505 -4.065 -6.548 -0.594 1.00 4.22 C ATOM 56 C PHE A 505 -3.963 -5.119 -1.102 1.00 52.20 C ATOM 57 O PHE A 505 -3.320 -4.858 -2.129 1.00 4.43 O ATOM 58 CB PHE A 505 -2.669 -7.117 -0.340 1.00 3.43 C ATOM 59 CG PHE A 505 -2.673 -8.522 0.203 1.00 71.21 C ATOM 60 CD1 PHE A 505 -2.891 -8.755 1.550 1.00 3.05 C ATOM 61 CD2 PHE A 505 -2.456 -9.608 -0.634 1.00 13.43 C ATOM 62 CE1 PHE A 505 -2.898 -10.040 2.053 1.00 1.13 C ATOM 63 CE2 PHE A 505 -2.461 -10.894 -0.135 1.00 64.12 C ATOM 64 CZ PHE A 505 -2.682 -11.110 1.210 1.00 3.23 C ATOM 0 H PHE A 505 -4.238 -7.434 -2.473 1.00 30.13 H new ATOM 0 HA PHE A 505 -4.616 -6.578 0.346 1.00 4.22 H new ATOM 0 HB2 PHE A 505 -2.105 -7.100 -1.273 1.00 3.43 H new ATOM 0 HB3 PHE A 505 -2.145 -6.468 0.362 1.00 3.43 H new ATOM 0 HD1 PHE A 505 -3.058 -7.921 2.215 1.00 3.05 H new ATOM 0 HD2 PHE A 505 -2.281 -9.444 -1.687 1.00 13.43 H new ATOM 0 HE1 PHE A 505 -3.072 -10.208 3.106 1.00 1.13 H new ATOM 0 HE2 PHE A 505 -2.292 -11.731 -0.796 1.00 64.12 H new ATOM 0 HZ PHE A 505 -2.686 -12.116 1.602 1.00 3.23 H new ATOM 74 N THR A 506 -4.612 -4.211 -0.442 1.00 30.32 N ATOM 75 CA THR A 506 -4.645 -2.847 -0.888 1.00 51.32 C ATOM 76 C THR A 506 -4.754 -1.935 0.325 1.00 11.41 C ATOM 77 O THR A 506 -5.087 -2.403 1.422 1.00 45.11 O ATOM 78 CB THR A 506 -5.865 -2.629 -1.861 1.00 74.23 C ATOM 79 OG1 THR A 506 -5.827 -1.332 -2.485 1.00 44.13 O ATOM 80 CG2 THR A 506 -7.205 -2.812 -1.140 1.00 62.15 C ATOM 0 H THR A 506 -5.132 -4.390 0.417 1.00 30.32 H new ATOM 0 HA THR A 506 -3.731 -2.611 -1.433 1.00 51.32 H new ATOM 0 HB THR A 506 -5.778 -3.390 -2.636 1.00 74.23 H new ATOM 0 HG1 THR A 506 -4.898 -1.029 -2.553 1.00 44.13 H new ATOM 0 HG21 THR A 506 -8.022 -2.654 -1.844 1.00 62.15 H new ATOM 0 HG22 THR A 506 -7.266 -3.822 -0.735 1.00 62.15 H new ATOM 0 HG23 THR A 506 -7.282 -2.090 -0.327 1.00 62.15 H new ATOM 88 N PHE A 507 -4.447 -0.672 0.141 1.00 62.42 N ATOM 89 CA PHE A 507 -4.591 0.302 1.199 1.00 24.42 C ATOM 90 C PHE A 507 -6.022 0.726 1.245 1.00 31.52 C ATOM 91 O PHE A 507 -6.714 0.664 0.232 1.00 15.41 O ATOM 92 CB PHE A 507 -3.731 1.540 0.947 1.00 50.10 C ATOM 93 CG PHE A 507 -2.257 1.306 0.856 1.00 74.12 C ATOM 94 CD1 PHE A 507 -1.533 0.935 1.970 1.00 4.45 C ATOM 95 CD2 PHE A 507 -1.586 1.509 -0.336 1.00 60.43 C ATOM 96 CE1 PHE A 507 -0.170 0.766 1.898 1.00 4.32 C ATOM 97 CE2 PHE A 507 -0.222 1.333 -0.415 1.00 23.43 C ATOM 98 CZ PHE A 507 0.486 0.964 0.706 1.00 14.04 C ATOM 0 H PHE A 507 -4.094 -0.293 -0.737 1.00 62.42 H new ATOM 0 HA PHE A 507 -4.271 -0.153 2.136 1.00 24.42 H new ATOM 0 HB2 PHE A 507 -4.063 2.006 0.019 1.00 50.10 H new ATOM 0 HB3 PHE A 507 -3.917 2.256 1.748 1.00 50.10 H new ATOM 0 HD1 PHE A 507 -2.042 0.775 2.909 1.00 4.45 H new ATOM 0 HD2 PHE A 507 -2.137 1.809 -1.215 1.00 60.43 H new ATOM 0 HE1 PHE A 507 0.385 0.478 2.778 1.00 4.32 H new ATOM 0 HE2 PHE A 507 0.290 1.484 -1.354 1.00 23.43 H new ATOM 0 HZ PHE A 507 1.556 0.830 0.649 1.00 14.04 H new ATOM 108 N GLU A 508 -6.480 1.130 2.403 1.00 42.11 N ATOM 109 CA GLU A 508 -7.841 1.600 2.536 1.00 22.21 C ATOM 110 C GLU A 508 -7.957 3.009 1.961 1.00 50.33 C ATOM 111 O GLU A 508 -9.034 3.446 1.525 1.00 34.40 O ATOM 112 CB GLU A 508 -8.280 1.588 4.000 1.00 13.04 C ATOM 113 CG GLU A 508 -9.777 1.655 4.141 1.00 65.24 C ATOM 114 CD GLU A 508 -10.254 1.702 5.565 1.00 54.05 C ATOM 115 OE1 GLU A 508 -10.454 0.643 6.171 1.00 22.21 O ATOM 116 OE2 GLU A 508 -10.479 2.817 6.096 1.00 52.32 O ATOM 0 H GLU A 508 -5.935 1.144 3.265 1.00 42.11 H new ATOM 0 HA GLU A 508 -8.497 0.930 1.981 1.00 22.21 H new ATOM 0 HB2 GLU A 508 -7.911 0.683 4.482 1.00 13.04 H new ATOM 0 HB3 GLU A 508 -7.829 2.433 4.521 1.00 13.04 H new ATOM 0 HG2 GLU A 508 -10.142 2.538 3.617 1.00 65.24 H new ATOM 0 HG3 GLU A 508 -10.217 0.788 3.649 1.00 65.24 H new ATOM 123 N GLU A 509 -6.850 3.694 1.948 1.00 41.43 N ATOM 124 CA GLU A 509 -6.777 5.028 1.456 1.00 70.33 C ATOM 125 C GLU A 509 -5.492 5.184 0.662 1.00 60.32 C ATOM 126 O GLU A 509 -4.445 4.713 1.082 1.00 43.54 O ATOM 127 CB GLU A 509 -6.824 6.016 2.629 1.00 41.34 C ATOM 128 CG GLU A 509 -5.720 5.806 3.666 1.00 33.44 C ATOM 129 CD GLU A 509 -5.863 6.699 4.862 1.00 41.02 C ATOM 130 OE1 GLU A 509 -6.889 7.377 4.978 1.00 13.30 O ATOM 131 OE2 GLU A 509 -4.969 6.682 5.749 1.00 31.53 O ATOM 0 H GLU A 509 -5.960 3.329 2.287 1.00 41.43 H new ATOM 0 HA GLU A 509 -7.625 5.239 0.805 1.00 70.33 H new ATOM 0 HB2 GLU A 509 -6.753 7.031 2.238 1.00 41.34 H new ATOM 0 HB3 GLU A 509 -7.792 5.932 3.123 1.00 41.34 H new ATOM 0 HG2 GLU A 509 -5.729 4.766 3.993 1.00 33.44 H new ATOM 0 HG3 GLU A 509 -4.752 5.985 3.199 1.00 33.44 H new ATOM 138 N PRO A 510 -5.562 5.768 -0.532 1.00 34.24 N ATOM 139 CA PRO A 510 -4.373 6.038 -1.335 1.00 51.11 C ATOM 140 C PRO A 510 -3.691 7.363 -0.939 1.00 21.44 C ATOM 141 O PRO A 510 -2.687 7.761 -1.536 1.00 62.53 O ATOM 142 CB PRO A 510 -4.943 6.130 -2.746 1.00 33.12 C ATOM 143 CG PRO A 510 -6.311 6.677 -2.560 1.00 23.13 C ATOM 144 CD PRO A 510 -6.805 6.142 -1.244 1.00 41.44 C ATOM 0 HA PRO A 510 -3.601 5.278 -1.212 1.00 51.11 H new ATOM 0 HB2 PRO A 510 -4.338 6.781 -3.377 1.00 33.12 H new ATOM 0 HB3 PRO A 510 -4.969 5.153 -3.228 1.00 33.12 H new ATOM 0 HG2 PRO A 510 -6.297 7.767 -2.556 1.00 23.13 H new ATOM 0 HG3 PRO A 510 -6.966 6.370 -3.375 1.00 23.13 H new ATOM 0 HD2 PRO A 510 -7.372 6.893 -0.693 1.00 41.44 H new ATOM 0 HD3 PRO A 510 -7.462 5.283 -1.381 1.00 41.44 H new ATOM 152 N VAL A 511 -4.255 8.045 0.045 1.00 72.35 N ATOM 153 CA VAL A 511 -3.745 9.319 0.563 1.00 2.10 C ATOM 154 C VAL A 511 -4.015 9.372 2.059 1.00 61.13 C ATOM 155 O VAL A 511 -5.100 9.012 2.505 1.00 1.11 O ATOM 156 CB VAL A 511 -4.434 10.568 -0.117 1.00 61.24 C ATOM 157 CG1 VAL A 511 -4.013 11.862 0.535 1.00 73.34 C ATOM 158 CG2 VAL A 511 -4.145 10.643 -1.595 1.00 43.31 C ATOM 0 H VAL A 511 -5.099 7.727 0.521 1.00 72.35 H new ATOM 0 HA VAL A 511 -2.679 9.367 0.341 1.00 2.10 H new ATOM 0 HB VAL A 511 -5.506 10.430 0.022 1.00 61.24 H new ATOM 0 HG11 VAL A 511 -4.508 12.697 0.039 1.00 73.34 H new ATOM 0 HG12 VAL A 511 -4.294 11.847 1.588 1.00 73.34 H new ATOM 0 HG13 VAL A 511 -2.933 11.978 0.449 1.00 73.34 H new ATOM 0 HG21 VAL A 511 -4.639 11.517 -2.018 1.00 43.31 H new ATOM 0 HG22 VAL A 511 -3.069 10.723 -1.752 1.00 43.31 H new ATOM 0 HG23 VAL A 511 -4.517 9.743 -2.085 1.00 43.31 H new ATOM 168 N THR A 512 -3.044 9.790 2.811 1.00 53.13 N ATOM 169 CA THR A 512 -3.194 9.928 4.223 1.00 50.24 C ATOM 170 C THR A 512 -2.427 11.193 4.640 1.00 50.51 C ATOM 171 O THR A 512 -1.390 11.521 4.043 1.00 1.30 O ATOM 172 CB THR A 512 -2.681 8.635 4.969 1.00 63.03 C ATOM 173 OG1 THR A 512 -3.136 8.594 6.329 1.00 2.44 O ATOM 174 CG2 THR A 512 -1.162 8.518 4.947 1.00 34.45 C ATOM 0 H THR A 512 -2.121 10.046 2.459 1.00 53.13 H new ATOM 0 HA THR A 512 -4.243 10.033 4.500 1.00 50.24 H new ATOM 0 HB THR A 512 -3.101 7.790 4.423 1.00 63.03 H new ATOM 0 HG1 THR A 512 -3.856 7.935 6.413 1.00 2.44 H new ATOM 0 HG21 THR A 512 -0.859 7.613 5.473 1.00 34.45 H new ATOM 0 HG22 THR A 512 -0.816 8.471 3.915 1.00 34.45 H new ATOM 0 HG23 THR A 512 -0.723 9.387 5.438 1.00 34.45 H new ATOM 182 N HIS A 513 -2.971 11.952 5.557 1.00 71.21 N ATOM 183 CA HIS A 513 -2.312 13.154 6.032 1.00 0.55 C ATOM 184 C HIS A 513 -1.877 12.925 7.441 1.00 45.55 C ATOM 185 O HIS A 513 -2.658 12.424 8.278 1.00 73.30 O ATOM 186 CB HIS A 513 -3.219 14.398 5.944 1.00 22.34 C ATOM 187 CG HIS A 513 -3.567 14.833 4.545 1.00 51.21 C ATOM 188 ND1 HIS A 513 -3.554 16.142 4.116 1.00 25.13 N ATOM 189 CD2 HIS A 513 -3.960 14.100 3.475 1.00 50.31 C ATOM 190 CE1 HIS A 513 -3.918 16.157 2.833 1.00 51.54 C ATOM 191 NE2 HIS A 513 -4.179 14.941 2.396 1.00 44.24 N ATOM 0 H HIS A 513 -3.873 11.762 5.995 1.00 71.21 H new ATOM 0 HA HIS A 513 -1.453 13.355 5.392 1.00 0.55 H new ATOM 0 HB2 HIS A 513 -4.143 14.195 6.486 1.00 22.34 H new ATOM 0 HB3 HIS A 513 -2.726 15.226 6.454 1.00 22.34 H new ATOM 0 HD2 HIS A 513 -4.083 13.027 3.465 1.00 50.31 H new ATOM 0 HE1 HIS A 513 -3.990 17.050 2.230 1.00 51.54 H new ATOM 0 HE2 HIS A 513 -4.480 14.675 1.458 1.00 44.24 H new ATOM 199 N VAL A 514 -0.669 13.280 7.730 1.00 54.21 N ATOM 200 CA VAL A 514 -0.103 12.997 9.022 1.00 62.42 C ATOM 201 C VAL A 514 0.498 14.233 9.606 1.00 12.14 C ATOM 202 O VAL A 514 0.770 15.202 8.884 1.00 13.10 O ATOM 203 CB VAL A 514 0.980 11.877 8.961 1.00 54.13 C ATOM 204 CG1 VAL A 514 0.390 10.567 8.451 1.00 52.20 C ATOM 205 CG2 VAL A 514 2.156 12.306 8.096 1.00 30.32 C ATOM 0 H VAL A 514 -0.045 13.770 7.089 1.00 54.21 H new ATOM 0 HA VAL A 514 -0.917 12.643 9.654 1.00 62.42 H new ATOM 0 HB VAL A 514 1.343 11.711 9.976 1.00 54.13 H new ATOM 0 HG11 VAL A 514 1.169 9.805 8.419 1.00 52.20 H new ATOM 0 HG12 VAL A 514 -0.408 10.243 9.119 1.00 52.20 H new ATOM 0 HG13 VAL A 514 -0.013 10.715 7.449 1.00 52.20 H new ATOM 0 HG21 VAL A 514 2.898 11.508 8.069 1.00 30.32 H new ATOM 0 HG22 VAL A 514 1.807 12.512 7.084 1.00 30.32 H new ATOM 0 HG23 VAL A 514 2.606 13.206 8.515 1.00 30.32 H new ATOM 215 N SER A 515 0.666 14.213 10.889 1.00 0.41 N ATOM 216 CA SER A 515 1.272 15.280 11.593 1.00 23.20 C ATOM 217 C SER A 515 2.765 15.176 11.382 1.00 44.15 C ATOM 218 O SER A 515 3.291 14.090 11.187 1.00 11.43 O ATOM 219 CB SER A 515 0.920 15.162 13.089 1.00 75.45 C ATOM 220 OG SER A 515 1.494 16.204 13.858 1.00 52.32 O ATOM 0 H SER A 515 0.377 13.435 11.483 1.00 0.41 H new ATOM 0 HA SER A 515 0.916 16.246 11.235 1.00 23.20 H new ATOM 0 HB2 SER A 515 -0.163 15.179 13.208 1.00 75.45 H new ATOM 0 HB3 SER A 515 1.267 14.200 13.467 1.00 75.45 H new ATOM 0 HG SER A 515 1.244 16.092 14.799 1.00 52.32 H new ATOM 226 N GLU A 516 3.443 16.269 11.405 1.00 41.51 N ATOM 227 CA GLU A 516 4.865 16.245 11.239 1.00 54.01 C ATOM 228 C GLU A 516 5.525 16.064 12.615 1.00 11.02 C ATOM 229 O GLU A 516 6.735 15.845 12.744 1.00 42.11 O ATOM 230 CB GLU A 516 5.305 17.521 10.558 1.00 11.32 C ATOM 231 CG GLU A 516 6.755 17.553 10.151 1.00 33.23 C ATOM 232 CD GLU A 516 7.048 18.767 9.370 1.00 52.13 C ATOM 233 OE1 GLU A 516 6.776 19.863 9.801 1.00 23.33 O ATOM 234 OE2 GLU A 516 7.547 18.721 8.250 1.00 14.32 O ATOM 0 H GLU A 516 3.040 17.197 11.537 1.00 41.51 H new ATOM 0 HA GLU A 516 5.171 15.410 10.609 1.00 54.01 H new ATOM 0 HB2 GLU A 516 4.690 17.673 9.671 1.00 11.32 H new ATOM 0 HB3 GLU A 516 5.112 18.359 11.228 1.00 11.32 H new ATOM 0 HG2 GLU A 516 7.388 17.523 11.038 1.00 33.23 H new ATOM 0 HG3 GLU A 516 6.992 16.668 9.560 1.00 33.23 H new ATOM 241 N SER A 517 4.703 16.117 13.634 1.00 4.42 N ATOM 242 CA SER A 517 5.148 15.993 14.991 1.00 31.42 C ATOM 243 C SER A 517 4.881 14.559 15.481 1.00 44.11 C ATOM 244 O SER A 517 5.172 14.209 16.627 1.00 72.01 O ATOM 245 CB SER A 517 4.381 17.030 15.837 1.00 74.30 C ATOM 246 OG SER A 517 4.798 17.067 17.200 1.00 3.21 O ATOM 0 H SER A 517 3.696 16.249 13.538 1.00 4.42 H new ATOM 0 HA SER A 517 6.218 16.182 15.078 1.00 31.42 H new ATOM 0 HB2 SER A 517 4.515 18.018 15.397 1.00 74.30 H new ATOM 0 HB3 SER A 517 3.315 16.805 15.797 1.00 74.30 H new ATOM 0 HG SER A 517 5.029 16.162 17.496 1.00 3.21 H new ATOM 252 N ILE A 518 4.364 13.729 14.590 1.00 14.54 N ATOM 253 CA ILE A 518 3.994 12.373 14.935 1.00 71.33 C ATOM 254 C ILE A 518 5.240 11.487 14.988 1.00 34.42 C ATOM 255 O ILE A 518 6.249 11.783 14.336 1.00 5.12 O ATOM 256 CB ILE A 518 2.975 11.805 13.904 1.00 3.10 C ATOM 257 CG1 ILE A 518 2.261 10.590 14.459 1.00 24.14 C ATOM 258 CG2 ILE A 518 3.654 11.437 12.583 1.00 32.23 C ATOM 259 CD1 ILE A 518 1.142 10.146 13.581 1.00 5.13 C ATOM 0 H ILE A 518 4.191 13.977 13.616 1.00 14.54 H new ATOM 0 HA ILE A 518 3.522 12.381 15.918 1.00 71.33 H new ATOM 0 HB ILE A 518 2.247 12.593 13.712 1.00 3.10 H new ATOM 0 HG12 ILE A 518 2.974 9.774 14.577 1.00 24.14 H new ATOM 0 HG13 ILE A 518 1.873 10.820 15.451 1.00 24.14 H new ATOM 0 HG21 ILE A 518 2.911 11.044 11.889 1.00 32.23 H new ATOM 0 HG22 ILE A 518 4.119 12.324 12.153 1.00 32.23 H new ATOM 0 HG23 ILE A 518 4.417 10.680 12.765 1.00 32.23 H new ATOM 0 HD11 ILE A 518 0.660 9.272 14.020 1.00 5.13 H new ATOM 0 HD12 ILE A 518 0.414 10.952 13.484 1.00 5.13 H new ATOM 0 HD13 ILE A 518 1.532 9.889 12.596 1.00 5.13 H new ATOM 271 N GLY A 519 5.193 10.456 15.788 1.00 51.41 N ATOM 272 CA GLY A 519 6.282 9.530 15.834 1.00 5.42 C ATOM 273 C GLY A 519 6.099 8.466 14.790 1.00 2.30 C ATOM 274 O GLY A 519 6.798 8.448 13.769 1.00 73.41 O ATOM 0 H GLY A 519 4.415 10.240 16.412 1.00 51.41 H new ATOM 0 HA2 GLY A 519 7.223 10.055 15.669 1.00 5.42 H new ATOM 0 HA3 GLY A 519 6.341 9.074 16.822 1.00 5.42 H new ATOM 278 N ILE A 520 5.132 7.607 15.022 1.00 12.43 N ATOM 279 CA ILE A 520 4.812 6.538 14.113 1.00 52.21 C ATOM 280 C ILE A 520 3.453 6.770 13.493 1.00 52.34 C ATOM 281 O ILE A 520 2.463 6.995 14.198 1.00 50.25 O ATOM 282 CB ILE A 520 4.817 5.145 14.825 1.00 51.33 C ATOM 283 CG1 ILE A 520 6.233 4.744 15.272 1.00 14.11 C ATOM 284 CG2 ILE A 520 4.190 4.055 13.948 1.00 53.25 C ATOM 285 CD1 ILE A 520 7.229 4.610 14.132 1.00 62.35 C ATOM 0 H ILE A 520 4.543 7.634 15.854 1.00 12.43 H new ATOM 0 HA ILE A 520 5.581 6.531 13.341 1.00 52.21 H new ATOM 0 HB ILE A 520 4.200 5.244 15.718 1.00 51.33 H new ATOM 0 HG12 ILE A 520 6.603 5.487 15.978 1.00 14.11 H new ATOM 0 HG13 ILE A 520 6.179 3.795 15.806 1.00 14.11 H new ATOM 0 HG21 ILE A 520 4.213 3.103 14.479 1.00 53.25 H new ATOM 0 HG22 ILE A 520 3.157 4.320 13.722 1.00 53.25 H new ATOM 0 HG23 ILE A 520 4.754 3.966 13.019 1.00 53.25 H new ATOM 0 HD11 ILE A 520 8.202 4.325 14.531 1.00 62.35 H new ATOM 0 HD12 ILE A 520 6.884 3.846 13.436 1.00 62.35 H new ATOM 0 HD13 ILE A 520 7.316 5.563 13.611 1.00 62.35 H new ATOM 297 N MET A 521 3.409 6.749 12.198 1.00 62.04 N ATOM 298 CA MET A 521 2.158 6.814 11.488 1.00 55.35 C ATOM 299 C MET A 521 1.873 5.428 10.959 1.00 10.25 C ATOM 300 O MET A 521 2.807 4.698 10.597 1.00 55.32 O ATOM 301 CB MET A 521 2.202 7.822 10.326 1.00 14.32 C ATOM 302 CG MET A 521 3.099 7.409 9.172 1.00 2.04 C ATOM 303 SD MET A 521 3.031 8.558 7.805 1.00 55.33 S ATOM 304 CE MET A 521 3.881 7.636 6.553 1.00 54.22 C ATOM 0 H MET A 521 4.233 6.687 11.599 1.00 62.04 H new ATOM 0 HA MET A 521 1.374 7.154 12.165 1.00 55.35 H new ATOM 0 HB2 MET A 521 1.190 7.968 9.949 1.00 14.32 H new ATOM 0 HB3 MET A 521 2.542 8.784 10.708 1.00 14.32 H new ATOM 0 HG2 MET A 521 4.127 7.331 9.526 1.00 2.04 H new ATOM 0 HG3 MET A 521 2.805 6.419 8.825 1.00 2.04 H new ATOM 0 HE1 MET A 521 3.571 7.987 5.569 1.00 54.22 H new ATOM 0 HE2 MET A 521 4.956 7.775 6.665 1.00 54.22 H new ATOM 0 HE3 MET A 521 3.640 6.578 6.654 1.00 54.22 H new ATOM 314 N GLU A 522 0.634 5.047 10.967 1.00 24.00 N ATOM 315 CA GLU A 522 0.240 3.763 10.468 1.00 53.34 C ATOM 316 C GLU A 522 -0.755 3.888 9.339 1.00 53.31 C ATOM 317 O GLU A 522 -1.513 4.866 9.251 1.00 5.24 O ATOM 318 CB GLU A 522 -0.326 2.908 11.569 1.00 52.40 C ATOM 319 CG GLU A 522 0.696 2.447 12.573 1.00 32.33 C ATOM 320 CD GLU A 522 0.088 1.632 13.665 1.00 33.13 C ATOM 321 OE1 GLU A 522 -0.611 2.205 14.524 1.00 55.31 O ATOM 322 OE2 GLU A 522 0.295 0.403 13.687 1.00 15.25 O ATOM 0 H GLU A 522 -0.135 5.617 11.320 1.00 24.00 H new ATOM 0 HA GLU A 522 1.135 3.279 10.077 1.00 53.34 H new ATOM 0 HB2 GLU A 522 -1.103 3.469 12.088 1.00 52.40 H new ATOM 0 HB3 GLU A 522 -0.806 2.035 11.127 1.00 52.40 H new ATOM 0 HG2 GLU A 522 1.461 1.859 12.066 1.00 32.33 H new ATOM 0 HG3 GLU A 522 1.195 3.314 13.005 1.00 32.33 H new ATOM 329 N VAL A 523 -0.732 2.910 8.473 1.00 71.33 N ATOM 330 CA VAL A 523 -1.591 2.856 7.313 1.00 44.10 C ATOM 331 C VAL A 523 -2.231 1.483 7.273 1.00 63.33 C ATOM 332 O VAL A 523 -1.554 0.497 7.511 1.00 43.52 O ATOM 333 CB VAL A 523 -0.774 3.054 6.022 1.00 33.14 C ATOM 334 CG1 VAL A 523 -1.690 3.144 4.809 1.00 12.31 C ATOM 335 CG2 VAL A 523 0.113 4.285 6.133 1.00 65.24 C ATOM 0 H VAL A 523 -0.104 2.111 8.553 1.00 71.33 H new ATOM 0 HA VAL A 523 -2.340 3.645 7.378 1.00 44.10 H new ATOM 0 HB VAL A 523 -0.129 2.185 5.888 1.00 33.14 H new ATOM 0 HG11 VAL A 523 -1.090 3.284 3.910 1.00 12.31 H new ATOM 0 HG12 VAL A 523 -2.268 2.224 4.720 1.00 12.31 H new ATOM 0 HG13 VAL A 523 -2.369 3.989 4.927 1.00 12.31 H new ATOM 0 HG21 VAL A 523 0.682 4.408 5.211 1.00 65.24 H new ATOM 0 HG22 VAL A 523 -0.507 5.166 6.297 1.00 65.24 H new ATOM 0 HG23 VAL A 523 0.800 4.164 6.970 1.00 65.24 H new ATOM 345 N LYS A 524 -3.504 1.428 6.979 1.00 43.23 N ATOM 346 CA LYS A 524 -4.258 0.189 6.981 1.00 31.54 C ATOM 347 C LYS A 524 -4.256 -0.509 5.634 1.00 51.32 C ATOM 348 O LYS A 524 -4.581 0.087 4.590 1.00 22.31 O ATOM 349 CB LYS A 524 -5.683 0.455 7.435 1.00 54.42 C ATOM 350 CG LYS A 524 -5.790 0.803 8.908 1.00 61.24 C ATOM 351 CD LYS A 524 -5.692 -0.447 9.767 1.00 53.13 C ATOM 352 CE LYS A 524 -5.705 -0.141 11.254 1.00 61.03 C ATOM 353 NZ LYS A 524 -6.857 0.694 11.657 1.00 23.13 N ATOM 0 H LYS A 524 -4.057 2.247 6.728 1.00 43.23 H new ATOM 0 HA LYS A 524 -3.764 -0.485 7.680 1.00 31.54 H new ATOM 0 HB2 LYS A 524 -6.098 1.272 6.845 1.00 54.42 H new ATOM 0 HB3 LYS A 524 -6.292 -0.426 7.232 1.00 54.42 H new ATOM 0 HG2 LYS A 524 -4.997 1.500 9.180 1.00 61.24 H new ATOM 0 HG3 LYS A 524 -6.737 1.308 9.099 1.00 61.24 H new ATOM 0 HD2 LYS A 524 -6.523 -1.111 9.530 1.00 53.13 H new ATOM 0 HD3 LYS A 524 -4.775 -0.982 9.519 1.00 53.13 H new ATOM 0 HE2 LYS A 524 -5.727 -1.077 11.813 1.00 61.03 H new ATOM 0 HE3 LYS A 524 -4.780 0.369 11.523 1.00 61.03 H new ATOM 0 HZ1 LYS A 524 -6.912 0.732 12.695 1.00 23.13 H new ATOM 0 HZ2 LYS A 524 -6.736 1.656 11.282 1.00 23.13 H new ATOM 0 HZ3 LYS A 524 -7.734 0.282 11.278 1.00 23.13 H new ATOM 367 N VAL A 525 -3.883 -1.762 5.672 1.00 63.34 N ATOM 368 CA VAL A 525 -3.879 -2.630 4.508 1.00 72.52 C ATOM 369 C VAL A 525 -4.940 -3.678 4.727 1.00 40.21 C ATOM 370 O VAL A 525 -4.890 -4.409 5.722 1.00 12.12 O ATOM 371 CB VAL A 525 -2.516 -3.339 4.315 1.00 12.43 C ATOM 372 CG1 VAL A 525 -2.474 -4.101 2.996 1.00 40.11 C ATOM 373 CG2 VAL A 525 -1.391 -2.346 4.391 1.00 35.25 C ATOM 0 H VAL A 525 -3.567 -2.222 6.525 1.00 63.34 H new ATOM 0 HA VAL A 525 -4.067 -2.029 3.618 1.00 72.52 H new ATOM 0 HB VAL A 525 -2.395 -4.062 5.122 1.00 12.43 H new ATOM 0 HG11 VAL A 525 -1.505 -4.588 2.888 1.00 40.11 H new ATOM 0 HG12 VAL A 525 -3.262 -4.854 2.985 1.00 40.11 H new ATOM 0 HG13 VAL A 525 -2.625 -3.406 2.170 1.00 40.11 H new ATOM 0 HG21 VAL A 525 -0.441 -2.862 4.253 1.00 35.25 H new ATOM 0 HG22 VAL A 525 -1.514 -1.596 3.609 1.00 35.25 H new ATOM 0 HG23 VAL A 525 -1.401 -1.858 5.366 1.00 35.25 H new ATOM 383 N LEU A 526 -5.879 -3.749 3.826 1.00 74.22 N ATOM 384 CA LEU A 526 -7.020 -4.628 3.978 1.00 31.31 C ATOM 385 C LEU A 526 -6.680 -6.067 3.723 1.00 41.14 C ATOM 386 O LEU A 526 -5.831 -6.400 2.886 1.00 20.43 O ATOM 387 CB LEU A 526 -8.213 -4.233 3.075 1.00 62.13 C ATOM 388 CG LEU A 526 -8.918 -2.899 3.352 1.00 10.04 C ATOM 389 CD1 LEU A 526 -9.377 -2.787 4.797 1.00 73.12 C ATOM 390 CD2 LEU A 526 -8.053 -1.740 2.967 1.00 5.42 C ATOM 0 H LEU A 526 -5.882 -3.203 2.964 1.00 74.22 H new ATOM 0 HA LEU A 526 -7.316 -4.510 5.021 1.00 31.31 H new ATOM 0 HB2 LEU A 526 -7.859 -4.216 2.044 1.00 62.13 H new ATOM 0 HB3 LEU A 526 -8.959 -5.025 3.143 1.00 62.13 H new ATOM 0 HG LEU A 526 -9.812 -2.873 2.729 1.00 10.04 H new ATOM 0 HD11 LEU A 526 -9.871 -1.827 4.949 1.00 73.12 H new ATOM 0 HD12 LEU A 526 -10.075 -3.594 5.021 1.00 73.12 H new ATOM 0 HD13 LEU A 526 -8.514 -2.860 5.459 1.00 73.12 H new ATOM 0 HD21 LEU A 526 -8.579 -0.808 3.175 1.00 5.42 H new ATOM 0 HD22 LEU A 526 -7.127 -1.770 3.542 1.00 5.42 H new ATOM 0 HD23 LEU A 526 -7.821 -1.796 1.903 1.00 5.42 H new ATOM 402 N ARG A 527 -7.331 -6.904 4.468 1.00 41.44 N ATOM 403 CA ARG A 527 -7.259 -8.318 4.292 1.00 23.31 C ATOM 404 C ARG A 527 -8.088 -8.715 3.074 1.00 65.12 C ATOM 405 O ARG A 527 -9.220 -8.255 2.891 1.00 50.41 O ATOM 406 CB ARG A 527 -7.775 -9.042 5.564 1.00 4.43 C ATOM 407 CG ARG A 527 -8.125 -10.523 5.377 1.00 11.24 C ATOM 408 CD ARG A 527 -6.919 -11.442 5.242 1.00 64.44 C ATOM 409 NE ARG A 527 -6.336 -11.783 6.542 1.00 34.11 N ATOM 410 CZ ARG A 527 -6.709 -12.852 7.276 1.00 35.23 C ATOM 411 NH1 ARG A 527 -7.716 -13.627 6.880 1.00 42.52 N ATOM 412 NH2 ARG A 527 -6.085 -13.132 8.396 1.00 12.03 N ATOM 0 H ARG A 527 -7.941 -6.615 5.233 1.00 41.44 H new ATOM 0 HA ARG A 527 -6.223 -8.614 4.130 1.00 23.31 H new ATOM 0 HB2 ARG A 527 -7.016 -8.960 6.342 1.00 4.43 H new ATOM 0 HB3 ARG A 527 -8.660 -8.519 5.926 1.00 4.43 H new ATOM 0 HG2 ARG A 527 -8.724 -10.852 6.226 1.00 11.24 H new ATOM 0 HG3 ARG A 527 -8.747 -10.627 4.488 1.00 11.24 H new ATOM 0 HD2 ARG A 527 -7.216 -12.356 4.728 1.00 64.44 H new ATOM 0 HD3 ARG A 527 -6.164 -10.959 4.622 1.00 64.44 H new ATOM 0 HE ARG A 527 -5.605 -11.177 6.914 1.00 34.11 H new ATOM 0 HH11 ARG A 527 -8.213 -13.415 6.015 1.00 42.52 H new ATOM 0 HH12 ARG A 527 -7.991 -14.433 7.442 1.00 42.52 H new ATOM 0 HH21 ARG A 527 -5.316 -12.541 8.713 1.00 12.03 H new ATOM 0 HH22 ARG A 527 -6.369 -13.941 8.949 1.00 12.03 H new ATOM 426 N THR A 528 -7.492 -9.531 2.258 1.00 75.32 N ATOM 427 CA THR A 528 -8.112 -10.121 1.102 1.00 21.15 C ATOM 428 C THR A 528 -9.377 -10.928 1.473 1.00 31.44 C ATOM 429 O THR A 528 -9.564 -11.327 2.629 1.00 45.55 O ATOM 430 CB THR A 528 -7.079 -11.036 0.384 1.00 1.53 C ATOM 431 OG1 THR A 528 -7.681 -11.799 -0.678 1.00 21.13 O ATOM 432 CG2 THR A 528 -6.385 -11.960 1.357 1.00 62.41 C ATOM 0 H THR A 528 -6.521 -9.818 2.381 1.00 75.32 H new ATOM 0 HA THR A 528 -8.429 -9.319 0.435 1.00 21.15 H new ATOM 0 HB THR A 528 -6.334 -10.374 -0.056 1.00 1.53 H new ATOM 0 HG1 THR A 528 -7.564 -12.756 -0.501 1.00 21.13 H new ATOM 0 HG21 THR A 528 -5.671 -12.584 0.820 1.00 62.41 H new ATOM 0 HG22 THR A 528 -5.859 -11.370 2.107 1.00 62.41 H new ATOM 0 HG23 THR A 528 -7.124 -12.594 1.847 1.00 62.41 H new ATOM 440 N SER A 529 -10.226 -11.148 0.478 1.00 35.13 N ATOM 441 CA SER A 529 -11.447 -11.916 0.617 1.00 12.43 C ATOM 442 C SER A 529 -11.093 -13.356 1.015 1.00 20.02 C ATOM 443 O SER A 529 -11.767 -13.979 1.846 1.00 1.20 O ATOM 444 CB SER A 529 -12.195 -11.883 -0.735 1.00 30.34 C ATOM 445 OG SER A 529 -13.443 -12.559 -0.698 1.00 2.12 O ATOM 0 H SER A 529 -10.078 -10.789 -0.465 1.00 35.13 H new ATOM 0 HA SER A 529 -12.088 -11.495 1.391 1.00 12.43 H new ATOM 0 HB2 SER A 529 -12.359 -10.846 -1.027 1.00 30.34 H new ATOM 0 HB3 SER A 529 -11.566 -12.335 -1.502 1.00 30.34 H new ATOM 0 HG SER A 529 -13.871 -12.504 -1.578 1.00 2.12 H new ATOM 451 N GLY A 530 -10.017 -13.853 0.449 1.00 72.12 N ATOM 452 CA GLY A 530 -9.559 -15.171 0.736 1.00 21.42 C ATOM 453 C GLY A 530 -8.070 -15.172 0.892 1.00 44.45 C ATOM 454 O GLY A 530 -7.356 -14.672 0.016 1.00 74.42 O ATOM 0 H GLY A 530 -9.442 -13.345 -0.223 1.00 72.12 H new ATOM 0 HA2 GLY A 530 -10.029 -15.538 1.649 1.00 21.42 H new ATOM 0 HA3 GLY A 530 -9.849 -15.849 -0.067 1.00 21.42 H new ATOM 458 N ALA A 531 -7.618 -15.622 2.028 1.00 63.32 N ATOM 459 CA ALA A 531 -6.212 -15.761 2.330 1.00 75.13 C ATOM 460 C ALA A 531 -5.979 -17.144 2.870 1.00 23.10 C ATOM 461 O ALA A 531 -6.515 -17.503 3.929 1.00 24.44 O ATOM 462 CB ALA A 531 -5.778 -14.736 3.375 1.00 23.52 C ATOM 0 H ALA A 531 -8.228 -15.911 2.792 1.00 63.32 H new ATOM 0 HA ALA A 531 -5.632 -15.595 1.422 1.00 75.13 H new ATOM 0 HB1 ALA A 531 -4.716 -14.860 3.587 1.00 23.52 H new ATOM 0 HB2 ALA A 531 -5.958 -13.730 2.995 1.00 23.52 H new ATOM 0 HB3 ALA A 531 -6.350 -14.885 4.291 1.00 23.52 H new ATOM 468 N ARG A 532 -5.251 -17.949 2.148 1.00 32.14 N ATOM 469 CA ARG A 532 -4.960 -19.281 2.612 1.00 63.21 C ATOM 470 C ARG A 532 -3.456 -19.441 2.718 1.00 3.42 C ATOM 471 O ARG A 532 -2.783 -19.773 1.743 1.00 71.13 O ATOM 472 CB ARG A 532 -5.571 -20.365 1.686 1.00 63.52 C ATOM 473 CG ARG A 532 -7.046 -20.149 1.338 1.00 21.12 C ATOM 474 CD ARG A 532 -7.921 -20.058 2.576 1.00 22.03 C ATOM 475 NE ARG A 532 -9.292 -19.654 2.248 1.00 51.12 N ATOM 476 CZ ARG A 532 -10.046 -18.820 2.986 1.00 70.11 C ATOM 477 NH1 ARG A 532 -9.539 -18.246 4.078 1.00 63.51 N ATOM 478 NH2 ARG A 532 -11.291 -18.542 2.612 1.00 12.13 N ATOM 0 H ARG A 532 -4.849 -17.711 1.241 1.00 32.14 H new ATOM 0 HA ARG A 532 -5.417 -19.420 3.592 1.00 63.21 H new ATOM 0 HB2 ARG A 532 -4.995 -20.401 0.761 1.00 63.52 H new ATOM 0 HB3 ARG A 532 -5.463 -21.337 2.167 1.00 63.52 H new ATOM 0 HG2 ARG A 532 -7.149 -19.234 0.754 1.00 21.12 H new ATOM 0 HG3 ARG A 532 -7.393 -20.969 0.710 1.00 21.12 H new ATOM 0 HD2 ARG A 532 -7.938 -21.024 3.080 1.00 22.03 H new ATOM 0 HD3 ARG A 532 -7.489 -19.341 3.274 1.00 22.03 H new ATOM 0 HE ARG A 532 -9.705 -20.034 1.396 1.00 51.12 H new ATOM 0 HH11 ARG A 532 -8.577 -18.439 4.356 1.00 63.51 H new ATOM 0 HH12 ARG A 532 -10.114 -17.614 4.635 1.00 63.51 H new ATOM 0 HH21 ARG A 532 -11.675 -18.961 1.765 1.00 12.13 H new ATOM 0 HH22 ARG A 532 -11.863 -17.909 3.172 1.00 12.13 H new ATOM 492 N GLY A 533 -2.931 -19.124 3.869 1.00 13.41 N ATOM 493 CA GLY A 533 -1.517 -19.228 4.104 1.00 12.51 C ATOM 494 C GLY A 533 -0.941 -17.899 4.528 1.00 52.11 C ATOM 495 O GLY A 533 -1.675 -16.922 4.668 1.00 75.40 O ATOM 0 H GLY A 533 -3.468 -18.788 4.668 1.00 13.41 H new ATOM 0 HA2 GLY A 533 -1.327 -19.974 4.876 1.00 12.51 H new ATOM 0 HA3 GLY A 533 -1.018 -19.572 3.198 1.00 12.51 H new ATOM 499 N ASN A 534 0.342 -17.864 4.748 1.00 72.20 N ATOM 500 CA ASN A 534 1.028 -16.647 5.145 1.00 45.55 C ATOM 501 C ASN A 534 1.525 -15.947 3.887 1.00 42.33 C ATOM 502 O ASN A 534 2.119 -16.579 3.011 1.00 74.22 O ATOM 503 CB ASN A 534 2.215 -17.005 6.075 1.00 63.12 C ATOM 504 CG ASN A 534 2.906 -15.836 6.808 1.00 53.43 C ATOM 505 OD1 ASN A 534 2.922 -14.648 6.253 1.00 1.44 O flip ATOM 506 ND2 ASN A 534 3.428 -16.032 7.900 1.00 72.21 N flip ATOM 0 H ASN A 534 0.952 -18.676 4.659 1.00 72.20 H new ATOM 0 HA ASN A 534 0.354 -15.984 5.688 1.00 45.55 H new ATOM 0 HB2 ASN A 534 1.858 -17.711 6.824 1.00 63.12 H new ATOM 0 HB3 ASN A 534 2.967 -17.524 5.481 1.00 63.12 H new ATOM 0 HD21 ASN A 534 3.406 -16.963 8.316 1.00 72.21 H new ATOM 0 HD22 ASN A 534 3.885 -15.264 8.392 1.00 72.21 H new ATOM 513 N VAL A 535 1.258 -14.674 3.781 1.00 43.51 N ATOM 514 CA VAL A 535 1.685 -13.889 2.650 1.00 73.24 C ATOM 515 C VAL A 535 2.609 -12.766 3.109 1.00 53.14 C ATOM 516 O VAL A 535 2.407 -12.172 4.159 1.00 11.02 O ATOM 517 CB VAL A 535 0.459 -13.314 1.881 1.00 11.51 C ATOM 518 CG1 VAL A 535 0.879 -12.438 0.712 1.00 30.13 C ATOM 519 CG2 VAL A 535 -0.395 -14.447 1.380 1.00 54.23 C ATOM 0 H VAL A 535 0.735 -14.147 4.480 1.00 43.51 H new ATOM 0 HA VAL A 535 2.236 -14.536 1.967 1.00 73.24 H new ATOM 0 HB VAL A 535 -0.107 -12.692 2.574 1.00 11.51 H new ATOM 0 HG11 VAL A 535 -0.008 -12.059 0.205 1.00 30.13 H new ATOM 0 HG12 VAL A 535 1.473 -11.601 1.079 1.00 30.13 H new ATOM 0 HG13 VAL A 535 1.474 -13.025 0.013 1.00 30.13 H new ATOM 0 HG21 VAL A 535 -1.253 -14.045 0.842 1.00 54.23 H new ATOM 0 HG22 VAL A 535 0.191 -15.076 0.710 1.00 54.23 H new ATOM 0 HG23 VAL A 535 -0.743 -15.042 2.225 1.00 54.23 H new ATOM 529 N ILE A 536 3.641 -12.530 2.360 1.00 23.33 N ATOM 530 CA ILE A 536 4.570 -11.472 2.658 1.00 5.15 C ATOM 531 C ILE A 536 4.342 -10.338 1.699 1.00 43.12 C ATOM 532 O ILE A 536 4.343 -10.543 0.488 1.00 1.24 O ATOM 533 CB ILE A 536 6.045 -11.958 2.584 1.00 10.22 C ATOM 534 CG1 ILE A 536 6.299 -13.038 3.631 1.00 61.11 C ATOM 535 CG2 ILE A 536 7.014 -10.808 2.773 1.00 4.34 C ATOM 536 CD1 ILE A 536 5.980 -12.592 5.040 1.00 62.02 C ATOM 0 H ILE A 536 3.868 -13.064 1.521 1.00 23.33 H new ATOM 0 HA ILE A 536 4.397 -11.136 3.680 1.00 5.15 H new ATOM 0 HB ILE A 536 6.210 -12.378 1.592 1.00 10.22 H new ATOM 0 HG12 ILE A 536 5.699 -13.916 3.391 1.00 61.11 H new ATOM 0 HG13 ILE A 536 7.344 -13.343 3.582 1.00 61.11 H new ATOM 0 HG21 ILE A 536 8.037 -11.181 2.716 1.00 4.34 H new ATOM 0 HG22 ILE A 536 6.854 -10.065 1.991 1.00 4.34 H new ATOM 0 HG23 ILE A 536 6.849 -10.350 3.748 1.00 4.34 H new ATOM 0 HD11 ILE A 536 6.183 -13.407 5.734 1.00 62.02 H new ATOM 0 HD12 ILE A 536 6.599 -11.733 5.299 1.00 62.02 H new ATOM 0 HD13 ILE A 536 4.928 -12.314 5.104 1.00 62.02 H new ATOM 548 N VAL A 537 4.114 -9.170 2.227 1.00 61.41 N ATOM 549 CA VAL A 537 3.842 -8.010 1.406 1.00 41.13 C ATOM 550 C VAL A 537 4.987 -6.995 1.539 1.00 1.34 C ATOM 551 O VAL A 537 5.131 -6.364 2.582 1.00 74.32 O ATOM 552 CB VAL A 537 2.500 -7.319 1.802 1.00 11.52 C ATOM 553 CG1 VAL A 537 2.136 -6.217 0.814 1.00 43.31 C ATOM 554 CG2 VAL A 537 1.362 -8.330 1.934 1.00 30.24 C ATOM 0 H VAL A 537 4.110 -8.988 3.231 1.00 61.41 H new ATOM 0 HA VAL A 537 3.758 -8.353 0.375 1.00 41.13 H new ATOM 0 HB VAL A 537 2.648 -6.862 2.780 1.00 11.52 H new ATOM 0 HG11 VAL A 537 1.197 -5.754 1.116 1.00 43.31 H new ATOM 0 HG12 VAL A 537 2.924 -5.464 0.802 1.00 43.31 H new ATOM 0 HG13 VAL A 537 2.026 -6.644 -0.183 1.00 43.31 H new ATOM 0 HG21 VAL A 537 0.444 -7.811 2.211 1.00 30.24 H new ATOM 0 HG22 VAL A 537 1.217 -8.841 0.982 1.00 30.24 H new ATOM 0 HG23 VAL A 537 1.612 -9.061 2.703 1.00 30.24 H new ATOM 564 N PRO A 538 5.841 -6.862 0.516 1.00 41.51 N ATOM 565 CA PRO A 538 6.944 -5.900 0.536 1.00 11.11 C ATOM 566 C PRO A 538 6.455 -4.471 0.273 1.00 51.13 C ATOM 567 O PRO A 538 5.512 -4.260 -0.497 1.00 51.12 O ATOM 568 CB PRO A 538 7.851 -6.374 -0.602 1.00 53.10 C ATOM 569 CG PRO A 538 6.939 -7.063 -1.558 1.00 42.30 C ATOM 570 CD PRO A 538 5.808 -7.637 -0.741 1.00 75.33 C ATOM 0 HA PRO A 538 7.444 -5.864 1.504 1.00 11.11 H new ATOM 0 HB2 PRO A 538 8.360 -5.535 -1.077 1.00 53.10 H new ATOM 0 HB3 PRO A 538 8.624 -7.050 -0.236 1.00 53.10 H new ATOM 0 HG2 PRO A 538 6.561 -6.364 -2.305 1.00 42.30 H new ATOM 0 HG3 PRO A 538 7.466 -7.851 -2.096 1.00 42.30 H new ATOM 0 HD2 PRO A 538 4.852 -7.527 -1.252 1.00 75.33 H new ATOM 0 HD3 PRO A 538 5.950 -8.702 -0.556 1.00 75.33 H new ATOM 578 N TYR A 539 7.080 -3.511 0.904 1.00 30.42 N ATOM 579 CA TYR A 539 6.711 -2.121 0.743 1.00 12.14 C ATOM 580 C TYR A 539 7.945 -1.250 0.744 1.00 21.31 C ATOM 581 O TYR A 539 9.012 -1.686 1.181 1.00 53.12 O ATOM 582 CB TYR A 539 5.733 -1.665 1.844 1.00 31.52 C ATOM 583 CG TYR A 539 6.268 -1.766 3.256 1.00 13.20 C ATOM 584 CD1 TYR A 539 6.949 -0.707 3.848 1.00 1.44 C ATOM 585 CD2 TYR A 539 6.088 -2.918 3.997 1.00 22.04 C ATOM 586 CE1 TYR A 539 7.432 -0.804 5.131 1.00 52.22 C ATOM 587 CE2 TYR A 539 6.568 -3.021 5.278 1.00 73.25 C ATOM 588 CZ TYR A 539 7.236 -1.967 5.843 1.00 32.22 C ATOM 589 OH TYR A 539 7.723 -2.084 7.118 1.00 4.50 O ATOM 0 H TYR A 539 7.859 -3.666 1.544 1.00 30.42 H new ATOM 0 HA TYR A 539 6.203 -2.019 -0.216 1.00 12.14 H new ATOM 0 HB2 TYR A 539 5.450 -0.630 1.652 1.00 31.52 H new ATOM 0 HB3 TYR A 539 4.824 -2.263 1.772 1.00 31.52 H new ATOM 0 HD1 TYR A 539 7.100 0.206 3.291 1.00 1.44 H new ATOM 0 HD2 TYR A 539 5.560 -3.753 3.560 1.00 22.04 H new ATOM 0 HE1 TYR A 539 7.961 0.025 5.578 1.00 52.22 H new ATOM 0 HE2 TYR A 539 6.420 -3.931 5.840 1.00 73.25 H new ATOM 0 HH TYR A 539 7.495 -2.968 7.475 1.00 4.50 H new ATOM 599 N LYS A 540 7.797 -0.039 0.271 1.00 3.24 N ATOM 600 CA LYS A 540 8.889 0.900 0.209 1.00 41.20 C ATOM 601 C LYS A 540 8.373 2.329 0.301 1.00 50.14 C ATOM 602 O LYS A 540 7.205 2.605 -0.048 1.00 44.22 O ATOM 603 CB LYS A 540 9.660 0.738 -1.104 1.00 60.25 C ATOM 604 CG LYS A 540 8.826 1.013 -2.347 1.00 33.05 C ATOM 605 CD LYS A 540 9.687 1.037 -3.580 1.00 42.33 C ATOM 606 CE LYS A 540 8.882 1.446 -4.804 1.00 65.22 C ATOM 607 NZ LYS A 540 9.710 1.518 -6.039 1.00 45.13 N ATOM 0 H LYS A 540 6.913 0.325 -0.083 1.00 3.24 H new ATOM 0 HA LYS A 540 9.551 0.697 1.051 1.00 41.20 H new ATOM 0 HB2 LYS A 540 10.516 1.412 -1.097 1.00 60.25 H new ATOM 0 HB3 LYS A 540 10.054 -0.277 -1.160 1.00 60.25 H new ATOM 0 HG2 LYS A 540 8.058 0.247 -2.451 1.00 33.05 H new ATOM 0 HG3 LYS A 540 8.311 1.968 -2.240 1.00 33.05 H new ATOM 0 HD2 LYS A 540 10.514 1.732 -3.436 1.00 42.33 H new ATOM 0 HD3 LYS A 540 10.124 0.051 -3.741 1.00 42.33 H new ATOM 0 HE2 LYS A 540 8.072 0.733 -4.956 1.00 65.22 H new ATOM 0 HE3 LYS A 540 8.422 2.417 -4.623 1.00 65.22 H new ATOM 0 HZ1 LYS A 540 9.112 1.801 -6.842 1.00 45.13 H new ATOM 0 HZ2 LYS A 540 10.468 2.218 -5.908 1.00 45.13 H new ATOM 0 HZ3 LYS A 540 10.129 0.586 -6.231 1.00 45.13 H new ATOM 621 N THR A 541 9.216 3.210 0.782 1.00 72.04 N ATOM 622 CA THR A 541 8.939 4.622 0.803 1.00 1.14 C ATOM 623 C THR A 541 9.629 5.316 -0.368 1.00 25.13 C ATOM 624 O THR A 541 10.847 5.166 -0.574 1.00 14.40 O ATOM 625 CB THR A 541 9.411 5.280 2.123 1.00 43.51 C ATOM 626 OG1 THR A 541 10.684 4.751 2.513 1.00 50.30 O ATOM 627 CG2 THR A 541 8.421 5.084 3.245 1.00 43.43 C ATOM 0 H THR A 541 10.124 2.962 1.174 1.00 72.04 H new ATOM 0 HA THR A 541 7.858 4.738 0.723 1.00 1.14 H new ATOM 0 HB THR A 541 9.495 6.350 1.934 1.00 43.51 H new ATOM 0 HG1 THR A 541 11.391 5.175 1.983 1.00 50.30 H new ATOM 0 HG21 THR A 541 8.796 5.563 4.149 1.00 43.43 H new ATOM 0 HG22 THR A 541 7.465 5.529 2.969 1.00 43.43 H new ATOM 0 HG23 THR A 541 8.285 4.018 3.429 1.00 43.43 H new ATOM 635 N ILE A 542 8.868 6.022 -1.147 1.00 20.31 N ATOM 636 CA ILE A 542 9.403 6.820 -2.216 1.00 1.41 C ATOM 637 C ILE A 542 9.538 8.227 -1.659 1.00 53.24 C ATOM 638 O ILE A 542 8.535 8.811 -1.253 1.00 44.12 O ATOM 639 CB ILE A 542 8.478 6.867 -3.492 1.00 53.24 C ATOM 640 CG1 ILE A 542 8.218 5.474 -4.119 1.00 13.41 C ATOM 641 CG2 ILE A 542 9.044 7.807 -4.545 1.00 1.44 C ATOM 642 CD1 ILE A 542 7.224 4.607 -3.371 1.00 13.15 C ATOM 0 H ILE A 542 7.852 6.063 -1.062 1.00 20.31 H new ATOM 0 HA ILE A 542 10.347 6.385 -2.543 1.00 1.41 H new ATOM 0 HB ILE A 542 7.517 7.244 -3.142 1.00 53.24 H new ATOM 0 HG12 ILE A 542 7.860 5.613 -5.139 1.00 13.41 H new ATOM 0 HG13 ILE A 542 9.166 4.940 -4.184 1.00 13.41 H new ATOM 0 HG21 ILE A 542 8.385 7.819 -5.413 1.00 1.44 H new ATOM 0 HG22 ILE A 542 9.119 8.813 -4.132 1.00 1.44 H new ATOM 0 HG23 ILE A 542 10.034 7.463 -4.845 1.00 1.44 H new ATOM 0 HD11 ILE A 542 7.111 3.654 -3.888 1.00 13.15 H new ATOM 0 HD12 ILE A 542 7.586 4.429 -2.358 1.00 13.15 H new ATOM 0 HD13 ILE A 542 6.260 5.113 -3.328 1.00 13.15 H new ATOM 654 N GLU A 543 10.760 8.740 -1.616 1.00 3.53 N ATOM 655 CA GLU A 543 11.063 10.053 -1.027 1.00 13.24 C ATOM 656 C GLU A 543 10.241 11.171 -1.655 1.00 5.42 C ATOM 657 O GLU A 543 9.621 11.977 -0.948 1.00 43.11 O ATOM 658 CB GLU A 543 12.546 10.380 -1.174 1.00 3.10 C ATOM 659 CG GLU A 543 13.479 9.413 -0.480 1.00 75.45 C ATOM 660 CD GLU A 543 14.916 9.814 -0.651 1.00 52.02 C ATOM 661 OE1 GLU A 543 15.397 10.693 0.108 1.00 21.21 O ATOM 662 OE2 GLU A 543 15.604 9.268 -1.545 1.00 11.24 O ATOM 0 H GLU A 543 11.579 8.260 -1.989 1.00 3.53 H new ATOM 0 HA GLU A 543 10.800 9.989 0.029 1.00 13.24 H new ATOM 0 HB2 GLU A 543 12.795 10.406 -2.235 1.00 3.10 H new ATOM 0 HB3 GLU A 543 12.724 11.381 -0.781 1.00 3.10 H new ATOM 0 HG2 GLU A 543 13.236 9.370 0.582 1.00 75.45 H new ATOM 0 HG3 GLU A 543 13.330 8.411 -0.881 1.00 75.45 H new ATOM 669 N GLY A 544 10.252 11.222 -2.967 1.00 13.20 N ATOM 670 CA GLY A 544 9.531 12.235 -3.676 1.00 14.33 C ATOM 671 C GLY A 544 10.163 13.591 -3.478 1.00 35.32 C ATOM 672 O GLY A 544 11.225 13.886 -4.041 1.00 40.14 O ATOM 0 H GLY A 544 10.758 10.566 -3.562 1.00 13.20 H new ATOM 0 HA2 GLY A 544 9.508 11.993 -4.739 1.00 14.33 H new ATOM 0 HA3 GLY A 544 8.497 12.258 -3.332 1.00 14.33 H new ATOM 676 N THR A 545 9.553 14.389 -2.647 1.00 71.45 N ATOM 677 CA THR A 545 10.038 15.721 -2.375 1.00 21.42 C ATOM 678 C THR A 545 10.610 15.802 -0.937 1.00 35.20 C ATOM 679 O THR A 545 11.126 16.838 -0.509 1.00 31.24 O ATOM 680 CB THR A 545 8.901 16.770 -2.602 1.00 60.33 C ATOM 681 OG1 THR A 545 9.366 18.121 -2.420 1.00 22.33 O ATOM 682 CG2 THR A 545 7.738 16.503 -1.681 1.00 11.45 C ATOM 0 H THR A 545 8.706 14.138 -2.137 1.00 71.45 H new ATOM 0 HA THR A 545 10.847 15.954 -3.068 1.00 21.42 H new ATOM 0 HB THR A 545 8.575 16.665 -3.637 1.00 60.33 H new ATOM 0 HG1 THR A 545 10.150 18.121 -1.832 1.00 22.33 H new ATOM 0 HG21 THR A 545 6.958 17.244 -1.855 1.00 11.45 H new ATOM 0 HG22 THR A 545 7.341 15.506 -1.875 1.00 11.45 H new ATOM 0 HG23 THR A 545 8.072 16.565 -0.645 1.00 11.45 H new ATOM 690 N ALA A 546 10.492 14.720 -0.199 1.00 12.11 N ATOM 691 CA ALA A 546 11.051 14.629 1.132 1.00 30.15 C ATOM 692 C ALA A 546 12.421 13.949 1.077 1.00 4.34 C ATOM 693 O ALA A 546 12.824 13.453 0.024 1.00 53.43 O ATOM 694 CB ALA A 546 10.114 13.855 2.035 1.00 40.12 C ATOM 0 H ALA A 546 10.005 13.878 -0.505 1.00 12.11 H new ATOM 0 HA ALA A 546 11.175 15.633 1.537 1.00 30.15 H new ATOM 0 HB1 ALA A 546 10.543 13.791 3.035 1.00 40.12 H new ATOM 0 HB2 ALA A 546 9.152 14.365 2.084 1.00 40.12 H new ATOM 0 HB3 ALA A 546 9.972 12.850 1.636 1.00 40.12 H new ATOM 700 N ARG A 547 13.133 13.946 2.185 1.00 45.12 N ATOM 701 CA ARG A 547 14.429 13.322 2.270 1.00 53.13 C ATOM 702 C ARG A 547 14.362 12.153 3.252 1.00 12.02 C ATOM 703 O ARG A 547 14.032 12.342 4.440 1.00 31.24 O ATOM 704 CB ARG A 547 15.478 14.353 2.724 1.00 13.23 C ATOM 705 CG ARG A 547 16.894 13.810 2.837 1.00 42.00 C ATOM 706 CD ARG A 547 17.383 13.278 1.530 1.00 34.21 C ATOM 707 NE ARG A 547 18.716 12.667 1.639 1.00 61.22 N ATOM 708 CZ ARG A 547 19.339 11.977 0.664 1.00 61.23 C ATOM 709 NH1 ARG A 547 18.756 11.815 -0.519 1.00 14.23 N ATOM 710 NH2 ARG A 547 20.541 11.451 0.884 1.00 52.21 N ATOM 0 H ARG A 547 12.823 14.380 3.055 1.00 45.12 H new ATOM 0 HA ARG A 547 14.721 12.945 1.290 1.00 53.13 H new ATOM 0 HB2 ARG A 547 15.478 15.186 2.021 1.00 13.23 H new ATOM 0 HB3 ARG A 547 15.179 14.754 3.692 1.00 13.23 H new ATOM 0 HG2 ARG A 547 17.561 14.600 3.182 1.00 42.00 H new ATOM 0 HG3 ARG A 547 16.923 13.019 3.586 1.00 42.00 H new ATOM 0 HD2 ARG A 547 16.676 12.538 1.154 1.00 34.21 H new ATOM 0 HD3 ARG A 547 17.415 14.087 0.800 1.00 34.21 H new ATOM 0 HE ARG A 547 19.209 12.774 2.525 1.00 61.22 H new ATOM 0 HH11 ARG A 547 17.833 12.214 -0.692 1.00 14.23 H new ATOM 0 HH12 ARG A 547 19.231 11.292 -1.254 1.00 14.23 H new ATOM 0 HH21 ARG A 547 20.991 11.570 1.791 1.00 52.21 H new ATOM 0 HH22 ARG A 547 21.012 10.929 0.145 1.00 52.21 H new ATOM 724 N GLY A 548 14.644 10.968 2.767 1.00 54.12 N ATOM 725 CA GLY A 548 14.591 9.792 3.605 1.00 61.45 C ATOM 726 C GLY A 548 15.887 9.550 4.337 1.00 61.34 C ATOM 727 O GLY A 548 16.634 10.484 4.605 1.00 65.44 O ATOM 0 H GLY A 548 14.912 10.791 1.799 1.00 54.12 H new ATOM 0 HA2 GLY A 548 13.783 9.901 4.328 1.00 61.45 H new ATOM 0 HA3 GLY A 548 14.355 8.922 2.992 1.00 61.45 H new ATOM 731 N GLY A 549 16.137 8.304 4.678 1.00 23.23 N ATOM 732 CA GLY A 549 17.359 7.929 5.361 1.00 54.43 C ATOM 733 C GLY A 549 17.408 8.381 6.807 1.00 42.13 C ATOM 734 O GLY A 549 18.486 8.419 7.409 1.00 51.54 O ATOM 0 H GLY A 549 15.504 7.526 4.492 1.00 23.23 H new ATOM 0 HA2 GLY A 549 17.468 6.845 5.324 1.00 54.43 H new ATOM 0 HA3 GLY A 549 18.209 8.354 4.827 1.00 54.43 H new ATOM 738 N GLY A 550 16.256 8.720 7.369 1.00 11.32 N ATOM 739 CA GLY A 550 16.216 9.188 8.729 1.00 74.41 C ATOM 740 C GLY A 550 16.519 10.660 8.797 1.00 51.40 C ATOM 741 O GLY A 550 17.027 11.149 9.793 1.00 54.13 O ATOM 0 H GLY A 550 15.350 8.677 6.902 1.00 11.32 H new ATOM 0 HA2 GLY A 550 15.232 8.995 9.156 1.00 74.41 H new ATOM 0 HA3 GLY A 550 16.938 8.635 9.330 1.00 74.41 H new ATOM 745 N GLU A 551 16.221 11.359 7.723 1.00 12.34 N ATOM 746 CA GLU A 551 16.492 12.775 7.642 1.00 4.03 C ATOM 747 C GLU A 551 15.220 13.578 7.933 1.00 64.22 C ATOM 748 O GLU A 551 15.112 14.224 8.965 1.00 63.11 O ATOM 749 CB GLU A 551 17.033 13.111 6.262 1.00 10.41 C ATOM 750 CG GLU A 551 17.656 14.475 6.150 1.00 44.32 C ATOM 751 CD GLU A 551 18.826 14.614 7.085 1.00 12.12 C ATOM 752 OE1 GLU A 551 19.936 14.170 6.743 1.00 22.00 O ATOM 753 OE2 GLU A 551 18.660 15.145 8.191 1.00 73.54 O ATOM 0 H GLU A 551 15.787 10.964 6.888 1.00 12.34 H new ATOM 0 HA GLU A 551 17.239 13.041 8.389 1.00 4.03 H new ATOM 0 HB2 GLU A 551 17.776 12.363 5.985 1.00 10.41 H new ATOM 0 HB3 GLU A 551 16.220 13.036 5.539 1.00 10.41 H new ATOM 0 HG2 GLU A 551 17.984 14.645 5.125 1.00 44.32 H new ATOM 0 HG3 GLU A 551 16.912 15.238 6.378 1.00 44.32 H new ATOM 760 N ASP A 552 14.258 13.530 7.018 1.00 53.13 N ATOM 761 CA ASP A 552 12.983 14.223 7.235 1.00 43.43 C ATOM 762 C ASP A 552 11.971 13.169 7.623 1.00 14.24 C ATOM 763 O ASP A 552 11.012 13.421 8.345 1.00 24.12 O ATOM 764 CB ASP A 552 12.535 14.980 5.960 1.00 21.25 C ATOM 765 CG ASP A 552 11.843 16.317 6.253 1.00 75.15 C ATOM 766 OD1 ASP A 552 12.482 17.200 6.851 1.00 34.15 O ATOM 767 OD2 ASP A 552 10.727 16.580 5.788 1.00 43.44 O ATOM 0 H ASP A 552 14.329 13.029 6.132 1.00 53.13 H new ATOM 0 HA ASP A 552 13.082 14.972 8.021 1.00 43.43 H new ATOM 0 HB2 ASP A 552 13.406 15.161 5.330 1.00 21.25 H new ATOM 0 HB3 ASP A 552 11.856 14.346 5.390 1.00 21.25 H new ATOM 772 N PHE A 553 12.221 11.964 7.140 1.00 30.15 N ATOM 773 CA PHE A 553 11.445 10.811 7.499 1.00 32.52 C ATOM 774 C PHE A 553 12.361 9.605 7.521 1.00 32.15 C ATOM 775 O PHE A 553 13.452 9.624 6.907 1.00 24.44 O ATOM 776 CB PHE A 553 10.260 10.571 6.541 1.00 3.41 C ATOM 777 CG PHE A 553 10.607 10.058 5.159 1.00 74.31 C ATOM 778 CD1 PHE A 553 10.973 10.920 4.144 1.00 21.24 C ATOM 779 CD2 PHE A 553 10.534 8.703 4.882 1.00 51.11 C ATOM 780 CE1 PHE A 553 11.264 10.438 2.881 1.00 5.11 C ATOM 781 CE2 PHE A 553 10.821 8.219 3.627 1.00 14.41 C ATOM 782 CZ PHE A 553 11.186 9.084 2.624 1.00 13.32 C ATOM 0 H PHE A 553 12.976 11.767 6.483 1.00 30.15 H new ATOM 0 HA PHE A 553 11.011 10.982 8.484 1.00 32.52 H new ATOM 0 HB2 PHE A 553 9.580 9.859 7.009 1.00 3.41 H new ATOM 0 HB3 PHE A 553 9.714 11.508 6.431 1.00 3.41 H new ATOM 0 HD1 PHE A 553 11.033 11.981 4.339 1.00 21.24 H new ATOM 0 HD2 PHE A 553 10.247 8.015 5.664 1.00 51.11 H new ATOM 0 HE1 PHE A 553 11.552 11.121 2.096 1.00 5.11 H new ATOM 0 HE2 PHE A 553 10.759 7.159 3.430 1.00 14.41 H new ATOM 0 HZ PHE A 553 11.411 8.706 1.638 1.00 13.32 H new ATOM 792 N GLU A 554 11.957 8.595 8.227 1.00 42.43 N ATOM 793 CA GLU A 554 12.703 7.372 8.330 1.00 22.52 C ATOM 794 C GLU A 554 12.252 6.500 7.159 1.00 50.42 C ATOM 795 O GLU A 554 11.068 6.153 7.053 1.00 53.41 O ATOM 796 CB GLU A 554 12.366 6.737 9.687 1.00 54.14 C ATOM 797 CG GLU A 554 13.347 5.713 10.251 1.00 12.54 C ATOM 798 CD GLU A 554 13.503 4.467 9.435 1.00 73.33 C ATOM 799 OE1 GLU A 554 12.549 3.678 9.346 1.00 2.01 O ATOM 800 OE2 GLU A 554 14.605 4.254 8.889 1.00 23.25 O ATOM 0 H GLU A 554 11.086 8.594 8.758 1.00 42.43 H new ATOM 0 HA GLU A 554 13.783 7.511 8.282 1.00 22.52 H new ATOM 0 HB2 GLU A 554 12.262 7.540 10.417 1.00 54.14 H new ATOM 0 HB3 GLU A 554 11.392 6.256 9.600 1.00 54.14 H new ATOM 0 HG2 GLU A 554 14.323 6.186 10.353 1.00 12.54 H new ATOM 0 HG3 GLU A 554 13.021 5.434 11.253 1.00 12.54 H new ATOM 807 N ASP A 555 13.169 6.200 6.269 1.00 30.13 N ATOM 808 CA ASP A 555 12.852 5.459 5.051 1.00 14.42 C ATOM 809 C ASP A 555 12.659 4.011 5.388 1.00 41.11 C ATOM 810 O ASP A 555 13.478 3.427 6.088 1.00 12.43 O ATOM 811 CB ASP A 555 13.972 5.613 4.019 1.00 63.10 C ATOM 812 CG ASP A 555 13.659 4.950 2.690 1.00 41.44 C ATOM 813 OD1 ASP A 555 13.876 3.734 2.535 1.00 42.43 O ATOM 814 OD2 ASP A 555 13.210 5.654 1.761 1.00 73.41 O ATOM 0 H ASP A 555 14.152 6.457 6.359 1.00 30.13 H new ATOM 0 HA ASP A 555 11.934 5.860 4.621 1.00 14.42 H new ATOM 0 HB2 ASP A 555 14.160 6.674 3.853 1.00 63.10 H new ATOM 0 HB3 ASP A 555 14.890 5.186 4.423 1.00 63.10 H new ATOM 819 N THR A 556 11.615 3.430 4.895 1.00 5.15 N ATOM 820 CA THR A 556 11.312 2.096 5.245 1.00 74.35 C ATOM 821 C THR A 556 10.955 1.258 4.012 1.00 75.13 C ATOM 822 O THR A 556 10.019 1.560 3.262 1.00 70.44 O ATOM 823 CB THR A 556 10.202 2.037 6.357 1.00 42.12 C ATOM 824 OG1 THR A 556 9.932 0.690 6.774 1.00 22.41 O ATOM 825 CG2 THR A 556 8.912 2.703 5.918 1.00 32.31 C ATOM 0 H THR A 556 10.960 3.867 4.247 1.00 5.15 H new ATOM 0 HA THR A 556 12.210 1.649 5.672 1.00 74.35 H new ATOM 0 HB THR A 556 10.602 2.592 7.206 1.00 42.12 H new ATOM 0 HG1 THR A 556 9.238 0.695 7.466 1.00 22.41 H new ATOM 0 HG21 THR A 556 8.177 2.636 6.720 1.00 32.31 H new ATOM 0 HG22 THR A 556 9.104 3.751 5.688 1.00 32.31 H new ATOM 0 HG23 THR A 556 8.527 2.201 5.030 1.00 32.31 H new ATOM 833 N CYS A 557 11.751 0.259 3.775 1.00 14.23 N ATOM 834 CA CYS A 557 11.506 -0.697 2.749 1.00 42.34 C ATOM 835 C CYS A 557 11.644 -2.072 3.362 1.00 74.41 C ATOM 836 O CYS A 557 12.755 -2.552 3.607 1.00 61.13 O ATOM 837 CB CYS A 557 12.450 -0.484 1.551 1.00 52.51 C ATOM 838 SG CYS A 557 14.200 -0.352 1.988 1.00 31.32 S ATOM 0 H CYS A 557 12.606 0.086 4.304 1.00 14.23 H new ATOM 0 HA CYS A 557 10.499 -0.582 2.349 1.00 42.34 H new ATOM 0 HB2 CYS A 557 12.324 -1.313 0.854 1.00 52.51 H new ATOM 0 HB3 CYS A 557 12.151 0.423 1.026 1.00 52.51 H new ATOM 0 HG CYS A 557 14.494 -1.253 2.878 1.00 31.32 H new ATOM 844 N GLY A 558 10.535 -2.674 3.664 1.00 2.53 N ATOM 845 CA GLY A 558 10.536 -3.907 4.351 1.00 32.23 C ATOM 846 C GLY A 558 9.410 -4.743 3.889 1.00 41.42 C ATOM 847 O GLY A 558 8.848 -4.491 2.819 1.00 4.11 O ATOM 0 H GLY A 558 9.608 -2.315 3.436 1.00 2.53 H new ATOM 0 HA2 GLY A 558 11.479 -4.427 4.181 1.00 32.23 H new ATOM 0 HA3 GLY A 558 10.456 -3.735 5.424 1.00 32.23 H new ATOM 851 N GLU A 559 9.040 -5.695 4.680 1.00 42.21 N ATOM 852 CA GLU A 559 8.022 -6.629 4.313 1.00 33.00 C ATOM 853 C GLU A 559 7.064 -6.860 5.471 1.00 1.45 C ATOM 854 O GLU A 559 7.486 -6.973 6.623 1.00 1.12 O ATOM 855 CB GLU A 559 8.686 -7.932 3.893 1.00 74.33 C ATOM 856 CG GLU A 559 9.514 -7.827 2.618 1.00 42.11 C ATOM 857 CD GLU A 559 10.340 -9.050 2.335 1.00 4.33 C ATOM 858 OE1 GLU A 559 11.478 -9.153 2.870 1.00 10.25 O ATOM 859 OE2 GLU A 559 9.913 -9.905 1.551 1.00 62.30 O ATOM 0 H GLU A 559 9.437 -5.850 5.607 1.00 42.21 H new ATOM 0 HA GLU A 559 7.441 -6.231 3.481 1.00 33.00 H new ATOM 0 HB2 GLU A 559 9.329 -8.277 4.703 1.00 74.33 H new ATOM 0 HB3 GLU A 559 7.916 -8.690 3.752 1.00 74.33 H new ATOM 0 HG2 GLU A 559 8.847 -7.646 1.775 1.00 42.11 H new ATOM 0 HG3 GLU A 559 10.174 -6.963 2.693 1.00 42.11 H new ATOM 866 N LEU A 560 5.794 -6.889 5.158 1.00 35.50 N ATOM 867 CA LEU A 560 4.744 -7.138 6.123 1.00 3.41 C ATOM 868 C LEU A 560 4.388 -8.601 6.109 1.00 13.43 C ATOM 869 O LEU A 560 4.210 -9.189 5.032 1.00 73.34 O ATOM 870 CB LEU A 560 3.485 -6.354 5.750 1.00 61.42 C ATOM 871 CG LEU A 560 3.577 -4.837 5.756 1.00 62.40 C ATOM 872 CD1 LEU A 560 2.316 -4.245 5.160 1.00 63.05 C ATOM 873 CD2 LEU A 560 3.781 -4.325 7.174 1.00 1.01 C ATOM 0 H LEU A 560 5.450 -6.738 4.210 1.00 35.50 H new ATOM 0 HA LEU A 560 5.101 -6.831 7.106 1.00 3.41 H new ATOM 0 HB2 LEU A 560 3.176 -6.669 4.753 1.00 61.42 H new ATOM 0 HB3 LEU A 560 2.691 -6.646 6.437 1.00 61.42 H new ATOM 0 HG LEU A 560 4.432 -4.532 5.153 1.00 62.40 H new ATOM 0 HD11 LEU A 560 2.386 -3.157 5.166 1.00 63.05 H new ATOM 0 HD12 LEU A 560 2.199 -4.595 4.134 1.00 63.05 H new ATOM 0 HD13 LEU A 560 1.454 -4.556 5.750 1.00 63.05 H new ATOM 0 HD21 LEU A 560 3.845 -3.237 7.162 1.00 1.01 H new ATOM 0 HD22 LEU A 560 2.940 -4.632 7.796 1.00 1.01 H new ATOM 0 HD23 LEU A 560 4.704 -4.738 7.581 1.00 1.01 H new ATOM 885 N GLU A 561 4.268 -9.179 7.265 1.00 62.30 N ATOM 886 CA GLU A 561 3.862 -10.547 7.375 1.00 63.25 C ATOM 887 C GLU A 561 2.340 -10.595 7.561 1.00 64.32 C ATOM 888 O GLU A 561 1.824 -10.376 8.656 1.00 15.45 O ATOM 889 CB GLU A 561 4.609 -11.239 8.530 1.00 55.24 C ATOM 890 CG GLU A 561 4.342 -12.732 8.655 1.00 0.04 C ATOM 891 CD GLU A 561 5.138 -13.374 9.763 1.00 22.24 C ATOM 892 OE1 GLU A 561 4.789 -13.186 10.950 1.00 70.13 O ATOM 893 OE2 GLU A 561 6.131 -14.080 9.474 1.00 43.13 O ATOM 0 H GLU A 561 4.448 -8.717 8.157 1.00 62.30 H new ATOM 0 HA GLU A 561 4.118 -11.091 6.466 1.00 63.25 H new ATOM 0 HB2 GLU A 561 5.680 -11.085 8.396 1.00 55.24 H new ATOM 0 HB3 GLU A 561 4.332 -10.754 9.466 1.00 55.24 H new ATOM 0 HG2 GLU A 561 3.279 -12.893 8.836 1.00 0.04 H new ATOM 0 HG3 GLU A 561 4.582 -13.220 7.711 1.00 0.04 H new ATOM 900 N PHE A 562 1.634 -10.809 6.475 1.00 30.02 N ATOM 901 CA PHE A 562 0.188 -10.845 6.497 1.00 15.05 C ATOM 902 C PHE A 562 -0.215 -12.304 6.460 1.00 24.34 C ATOM 903 O PHE A 562 -0.048 -12.986 5.452 1.00 12.24 O ATOM 904 CB PHE A 562 -0.378 -10.117 5.274 1.00 34.31 C ATOM 905 CG PHE A 562 -1.670 -9.363 5.513 1.00 55.13 C ATOM 906 CD1 PHE A 562 -2.780 -9.970 6.090 1.00 20.11 C ATOM 907 CD2 PHE A 562 -1.759 -8.021 5.166 1.00 74.10 C ATOM 908 CE1 PHE A 562 -3.939 -9.249 6.304 1.00 10.54 C ATOM 909 CE2 PHE A 562 -2.920 -7.308 5.381 1.00 42.51 C ATOM 910 CZ PHE A 562 -4.006 -7.923 5.950 1.00 51.20 C ATOM 0 H PHE A 562 2.043 -10.963 5.553 1.00 30.02 H new ATOM 0 HA PHE A 562 -0.199 -10.352 7.389 1.00 15.05 H new ATOM 0 HB2 PHE A 562 0.372 -9.415 4.910 1.00 34.31 H new ATOM 0 HB3 PHE A 562 -0.543 -10.846 4.481 1.00 34.31 H new ATOM 0 HD1 PHE A 562 -2.736 -11.011 6.373 1.00 20.11 H new ATOM 0 HD2 PHE A 562 -0.907 -7.529 4.721 1.00 74.10 H new ATOM 0 HE1 PHE A 562 -4.796 -9.730 6.752 1.00 10.54 H new ATOM 0 HE2 PHE A 562 -2.974 -6.266 5.102 1.00 42.51 H new ATOM 0 HZ PHE A 562 -4.915 -7.364 6.120 1.00 51.20 H new ATOM 920 N GLN A 563 -0.695 -12.789 7.541 1.00 51.53 N ATOM 921 CA GLN A 563 -0.991 -14.190 7.654 1.00 12.41 C ATOM 922 C GLN A 563 -2.465 -14.456 7.398 1.00 34.24 C ATOM 923 O GLN A 563 -3.244 -13.523 7.243 1.00 62.33 O ATOM 924 CB GLN A 563 -0.576 -14.676 9.035 1.00 22.44 C ATOM 925 CG GLN A 563 0.877 -14.380 9.358 1.00 12.52 C ATOM 926 CD GLN A 563 1.311 -14.961 10.670 1.00 70.54 C ATOM 927 OE1 GLN A 563 1.192 -14.328 11.719 1.00 13.25 O ATOM 928 NE2 GLN A 563 1.836 -16.146 10.627 1.00 31.23 N ATOM 0 H GLN A 563 -0.898 -12.241 8.377 1.00 51.53 H new ATOM 0 HA GLN A 563 -0.429 -14.740 6.899 1.00 12.41 H new ATOM 0 HB2 GLN A 563 -1.212 -14.206 9.785 1.00 22.44 H new ATOM 0 HB3 GLN A 563 -0.745 -15.751 9.102 1.00 22.44 H new ATOM 0 HG2 GLN A 563 1.509 -14.777 8.563 1.00 12.52 H new ATOM 0 HG3 GLN A 563 1.028 -13.301 9.376 1.00 12.52 H new ATOM 0 HE21 GLN A 563 1.916 -16.636 9.736 1.00 31.23 H new ATOM 0 HE22 GLN A 563 2.169 -16.588 11.484 1.00 31.23 H new ATOM 937 N ASN A 564 -2.845 -15.726 7.318 1.00 22.42 N ATOM 938 CA ASN A 564 -4.250 -16.079 7.177 1.00 43.23 C ATOM 939 C ASN A 564 -4.925 -15.984 8.534 1.00 42.31 C ATOM 940 O ASN A 564 -6.156 -15.940 8.652 1.00 54.10 O ATOM 941 CB ASN A 564 -4.456 -17.478 6.558 1.00 44.21 C ATOM 942 CG ASN A 564 -4.128 -18.655 7.472 1.00 22.43 C ATOM 943 OD1 ASN A 564 -2.992 -19.140 7.511 1.00 13.30 O ATOM 944 ND2 ASN A 564 -5.116 -19.145 8.175 1.00 32.24 N ATOM 0 H ASN A 564 -2.206 -16.520 7.348 1.00 22.42 H new ATOM 0 HA ASN A 564 -4.706 -15.372 6.484 1.00 43.23 H new ATOM 0 HB2 ASN A 564 -5.495 -17.566 6.240 1.00 44.21 H new ATOM 0 HB3 ASN A 564 -3.840 -17.554 5.662 1.00 44.21 H new ATOM 0 HD21 ASN A 564 -4.961 -19.952 8.779 1.00 32.24 H new ATOM 0 HD22 ASN A 564 -6.042 -18.720 8.119 1.00 32.24 H new ATOM 951 N ASP A 565 -4.112 -15.946 9.560 1.00 14.02 N ATOM 952 CA ASP A 565 -4.594 -15.782 10.915 1.00 75.12 C ATOM 953 C ASP A 565 -4.514 -14.312 11.300 1.00 33.50 C ATOM 954 O ASP A 565 -5.507 -13.711 11.693 1.00 20.10 O ATOM 955 CB ASP A 565 -3.772 -16.612 11.880 1.00 3.55 C ATOM 956 CG ASP A 565 -4.318 -16.564 13.284 1.00 33.54 C ATOM 957 OD1 ASP A 565 -3.944 -15.686 14.060 1.00 73.45 O ATOM 958 OD2 ASP A 565 -5.125 -17.425 13.636 1.00 24.04 O ATOM 0 H ASP A 565 -3.098 -16.027 9.483 1.00 14.02 H new ATOM 0 HA ASP A 565 -5.628 -16.122 10.967 1.00 75.12 H new ATOM 0 HB2 ASP A 565 -3.748 -17.646 11.537 1.00 3.55 H new ATOM 0 HB3 ASP A 565 -2.743 -16.252 11.880 1.00 3.55 H new ATOM 963 N GLU A 566 -3.320 -13.746 11.161 1.00 20.13 N ATOM 964 CA GLU A 566 -3.071 -12.326 11.423 1.00 40.13 C ATOM 965 C GLU A 566 -3.868 -11.474 10.439 1.00 42.12 C ATOM 966 O GLU A 566 -3.943 -11.793 9.260 1.00 41.53 O ATOM 967 CB GLU A 566 -1.564 -12.026 11.274 1.00 53.32 C ATOM 968 CG GLU A 566 -1.167 -10.590 11.574 1.00 71.05 C ATOM 969 CD GLU A 566 -1.611 -10.145 12.938 1.00 20.33 C ATOM 970 OE1 GLU A 566 -2.730 -9.616 13.061 1.00 2.24 O ATOM 971 OE2 GLU A 566 -0.847 -10.303 13.909 1.00 12.33 O ATOM 0 H GLU A 566 -2.491 -14.259 10.862 1.00 20.13 H new ATOM 0 HA GLU A 566 -3.385 -12.087 12.439 1.00 40.13 H new ATOM 0 HB2 GLU A 566 -1.009 -12.688 11.939 1.00 53.32 H new ATOM 0 HB3 GLU A 566 -1.259 -12.267 10.256 1.00 53.32 H new ATOM 0 HG2 GLU A 566 -0.084 -10.492 11.498 1.00 71.05 H new ATOM 0 HG3 GLU A 566 -1.600 -9.931 10.821 1.00 71.05 H new ATOM 978 N ILE A 567 -4.451 -10.414 10.898 1.00 45.24 N ATOM 979 CA ILE A 567 -5.223 -9.587 10.057 1.00 33.32 C ATOM 980 C ILE A 567 -4.445 -8.338 9.787 1.00 74.04 C ATOM 981 O ILE A 567 -3.258 -8.293 10.085 1.00 31.13 O ATOM 982 CB ILE A 567 -6.595 -9.200 10.669 1.00 0.15 C ATOM 983 CG1 ILE A 567 -6.411 -8.451 11.998 1.00 13.44 C ATOM 984 CG2 ILE A 567 -7.462 -10.439 10.857 1.00 1.40 C ATOM 985 CD1 ILE A 567 -7.624 -7.654 12.408 1.00 61.33 C ATOM 0 H ILE A 567 -4.399 -10.105 11.869 1.00 45.24 H new ATOM 0 HA ILE A 567 -5.429 -10.147 9.145 1.00 33.32 H new ATOM 0 HB ILE A 567 -7.103 -8.529 9.976 1.00 0.15 H new ATOM 0 HG12 ILE A 567 -6.176 -9.170 12.783 1.00 13.44 H new ATOM 0 HG13 ILE A 567 -5.556 -7.780 11.913 1.00 13.44 H new ATOM 0 HG21 ILE A 567 -8.421 -10.150 11.287 1.00 1.40 H new ATOM 0 HG22 ILE A 567 -7.627 -10.918 9.892 1.00 1.40 H new ATOM 0 HG23 ILE A 567 -6.959 -11.137 11.527 1.00 1.40 H new ATOM 0 HD11 ILE A 567 -7.426 -7.151 13.354 1.00 61.33 H new ATOM 0 HD12 ILE A 567 -7.848 -6.912 11.642 1.00 61.33 H new ATOM 0 HD13 ILE A 567 -8.477 -8.323 12.525 1.00 61.33 H new ATOM 997 N VAL A 568 -5.128 -7.408 9.140 1.00 62.22 N ATOM 998 CA VAL A 568 -4.733 -6.033 8.820 1.00 13.55 C ATOM 999 C VAL A 568 -3.300 -5.622 9.231 1.00 41.35 C ATOM 1000 O VAL A 568 -2.871 -5.723 10.389 1.00 42.01 O ATOM 1001 CB VAL A 568 -5.775 -5.055 9.414 1.00 54.24 C ATOM 1002 CG1 VAL A 568 -5.581 -4.812 10.894 1.00 33.54 C ATOM 1003 CG2 VAL A 568 -5.896 -3.772 8.620 1.00 51.41 C ATOM 0 H VAL A 568 -6.064 -7.610 8.789 1.00 62.22 H new ATOM 0 HA VAL A 568 -4.713 -5.983 7.731 1.00 13.55 H new ATOM 0 HB VAL A 568 -6.738 -5.557 9.320 1.00 54.24 H new ATOM 0 HG11 VAL A 568 -6.342 -4.118 11.252 1.00 33.54 H new ATOM 0 HG12 VAL A 568 -5.669 -5.756 11.432 1.00 33.54 H new ATOM 0 HG13 VAL A 568 -4.592 -4.387 11.066 1.00 33.54 H new ATOM 0 HG21 VAL A 568 -6.641 -3.126 9.084 1.00 51.41 H new ATOM 0 HG22 VAL A 568 -4.933 -3.262 8.604 1.00 51.41 H new ATOM 0 HG23 VAL A 568 -6.201 -4.003 7.599 1.00 51.41 H new ATOM 1013 N LYS A 569 -2.596 -5.140 8.305 1.00 63.23 N ATOM 1014 CA LYS A 569 -1.263 -4.718 8.562 1.00 45.25 C ATOM 1015 C LYS A 569 -1.163 -3.243 8.489 1.00 43.43 C ATOM 1016 O LYS A 569 -1.926 -2.594 7.767 1.00 31.31 O ATOM 1017 CB LYS A 569 -0.245 -5.387 7.644 1.00 53.22 C ATOM 1018 CG LYS A 569 0.021 -6.858 7.956 1.00 21.24 C ATOM 1019 CD LYS A 569 0.573 -7.066 9.372 1.00 62.13 C ATOM 1020 CE LYS A 569 1.862 -6.292 9.602 1.00 2.21 C ATOM 1021 NZ LYS A 569 2.409 -6.516 10.947 1.00 61.24 N ATOM 0 H LYS A 569 -2.909 -5.019 7.342 1.00 63.23 H new ATOM 0 HA LYS A 569 -1.016 -5.036 9.575 1.00 45.25 H new ATOM 0 HB2 LYS A 569 -0.594 -5.305 6.615 1.00 53.22 H new ATOM 0 HB3 LYS A 569 0.696 -4.840 7.706 1.00 53.22 H new ATOM 0 HG2 LYS A 569 -0.904 -7.423 7.843 1.00 21.24 H new ATOM 0 HG3 LYS A 569 0.730 -7.258 7.231 1.00 21.24 H new ATOM 0 HD2 LYS A 569 -0.173 -6.752 10.102 1.00 62.13 H new ATOM 0 HD3 LYS A 569 0.754 -8.128 9.538 1.00 62.13 H new ATOM 0 HE2 LYS A 569 2.600 -6.589 8.857 1.00 2.21 H new ATOM 0 HE3 LYS A 569 1.675 -5.228 9.460 1.00 2.21 H new ATOM 0 HZ1 LYS A 569 3.287 -5.970 11.060 1.00 61.24 H new ATOM 0 HZ2 LYS A 569 1.716 -6.209 11.659 1.00 61.24 H new ATOM 0 HZ3 LYS A 569 2.612 -7.528 11.075 1.00 61.24 H new ATOM 1035 N THR A 570 -0.276 -2.714 9.257 1.00 14.33 N ATOM 1036 CA THR A 570 -0.029 -1.321 9.272 1.00 32.53 C ATOM 1037 C THR A 570 1.418 -1.046 8.954 1.00 34.23 C ATOM 1038 O THR A 570 2.317 -1.668 9.526 1.00 44.42 O ATOM 1039 CB THR A 570 -0.416 -0.663 10.628 1.00 15.10 C ATOM 1040 OG1 THR A 570 0.080 -1.428 11.739 1.00 72.33 O ATOM 1041 CG2 THR A 570 -1.916 -0.476 10.764 1.00 22.05 C ATOM 0 H THR A 570 0.306 -3.249 9.902 1.00 14.33 H new ATOM 0 HA THR A 570 -0.662 -0.874 8.506 1.00 32.53 H new ATOM 0 HB THR A 570 0.051 0.322 10.638 1.00 15.10 H new ATOM 0 HG1 THR A 570 0.182 -0.844 12.519 1.00 72.33 H new ATOM 0 HG21 THR A 570 -2.139 -0.014 11.726 1.00 22.05 H new ATOM 0 HG22 THR A 570 -2.277 0.166 9.960 1.00 22.05 H new ATOM 0 HG23 THR A 570 -2.410 -1.446 10.704 1.00 22.05 H new ATOM 1049 N ILE A 571 1.652 -0.184 8.000 1.00 62.23 N ATOM 1050 CA ILE A 571 2.998 0.228 7.719 1.00 32.11 C ATOM 1051 C ILE A 571 3.330 1.342 8.683 1.00 61.42 C ATOM 1052 O ILE A 571 2.810 2.450 8.558 1.00 22.33 O ATOM 1053 CB ILE A 571 3.252 0.715 6.242 1.00 30.23 C ATOM 1054 CG1 ILE A 571 2.997 -0.382 5.199 1.00 25.45 C ATOM 1055 CG2 ILE A 571 4.672 1.210 6.090 1.00 33.15 C ATOM 1056 CD1 ILE A 571 1.553 -0.707 4.969 1.00 41.25 C ATOM 0 H ILE A 571 0.936 0.241 7.411 1.00 62.23 H new ATOM 0 HA ILE A 571 3.638 -0.646 7.838 1.00 32.11 H new ATOM 0 HB ILE A 571 2.542 1.522 6.060 1.00 30.23 H new ATOM 0 HG12 ILE A 571 3.441 -0.074 4.252 1.00 25.45 H new ATOM 0 HG13 ILE A 571 3.514 -1.289 5.513 1.00 25.45 H new ATOM 0 HG21 ILE A 571 4.833 1.543 5.065 1.00 33.15 H new ATOM 0 HG22 ILE A 571 4.842 2.042 6.773 1.00 33.15 H new ATOM 0 HG23 ILE A 571 5.366 0.402 6.322 1.00 33.15 H new ATOM 0 HD11 ILE A 571 1.472 -1.492 4.217 1.00 41.25 H new ATOM 0 HD12 ILE A 571 1.104 -1.050 5.901 1.00 41.25 H new ATOM 0 HD13 ILE A 571 1.030 0.184 4.621 1.00 41.25 H new ATOM 1068 N SER A 572 4.102 1.020 9.670 1.00 52.31 N ATOM 1069 CA SER A 572 4.503 1.956 10.658 1.00 64.32 C ATOM 1070 C SER A 572 5.727 2.735 10.177 1.00 1.54 C ATOM 1071 O SER A 572 6.810 2.175 10.006 1.00 72.43 O ATOM 1072 CB SER A 572 4.762 1.197 11.955 1.00 52.43 C ATOM 1073 OG SER A 572 5.550 0.041 11.705 1.00 43.03 O ATOM 0 H SER A 572 4.476 0.081 9.811 1.00 52.31 H new ATOM 0 HA SER A 572 3.721 2.693 10.841 1.00 64.32 H new ATOM 0 HB2 SER A 572 5.272 1.845 12.667 1.00 52.43 H new ATOM 0 HB3 SER A 572 3.815 0.907 12.410 1.00 52.43 H new ATOM 0 HG SER A 572 6.260 0.261 11.066 1.00 43.03 H new ATOM 1079 N VAL A 573 5.538 3.999 9.911 1.00 13.23 N ATOM 1080 CA VAL A 573 6.609 4.835 9.413 1.00 21.22 C ATOM 1081 C VAL A 573 6.939 5.884 10.446 1.00 21.20 C ATOM 1082 O VAL A 573 6.030 6.468 11.061 1.00 13.43 O ATOM 1083 CB VAL A 573 6.247 5.517 8.057 1.00 40.24 C ATOM 1084 CG1 VAL A 573 7.390 6.391 7.531 1.00 40.10 C ATOM 1085 CG2 VAL A 573 5.868 4.478 7.020 1.00 44.34 C ATOM 0 H VAL A 573 4.647 4.480 10.030 1.00 13.23 H new ATOM 0 HA VAL A 573 7.474 4.198 9.229 1.00 21.22 H new ATOM 0 HB VAL A 573 5.391 6.166 8.243 1.00 40.24 H new ATOM 0 HG11 VAL A 573 7.095 6.846 6.586 1.00 40.10 H new ATOM 0 HG12 VAL A 573 7.613 7.173 8.256 1.00 40.10 H new ATOM 0 HG13 VAL A 573 8.277 5.776 7.376 1.00 40.10 H new ATOM 0 HG21 VAL A 573 5.619 4.974 6.082 1.00 44.34 H new ATOM 0 HG22 VAL A 573 6.707 3.800 6.861 1.00 44.34 H new ATOM 0 HG23 VAL A 573 5.005 3.912 7.371 1.00 44.34 H new ATOM 1095 N LYS A 574 8.208 6.092 10.648 1.00 33.23 N ATOM 1096 CA LYS A 574 8.700 7.035 11.619 1.00 60.40 C ATOM 1097 C LYS A 574 8.999 8.390 10.972 1.00 75.22 C ATOM 1098 O LYS A 574 9.740 8.480 9.981 1.00 14.42 O ATOM 1099 CB LYS A 574 9.952 6.450 12.292 1.00 61.25 C ATOM 1100 CG LYS A 574 10.640 7.358 13.295 1.00 14.13 C ATOM 1101 CD LYS A 574 11.836 6.659 13.919 1.00 53.14 C ATOM 1102 CE LYS A 574 12.533 7.540 14.938 1.00 60.35 C ATOM 1103 NZ LYS A 574 11.670 7.856 16.090 1.00 34.40 N ATOM 0 H LYS A 574 8.944 5.605 10.136 1.00 33.23 H new ATOM 0 HA LYS A 574 7.934 7.207 12.375 1.00 60.40 H new ATOM 0 HB2 LYS A 574 9.673 5.525 12.797 1.00 61.25 H new ATOM 0 HB3 LYS A 574 10.670 6.185 11.516 1.00 61.25 H new ATOM 0 HG2 LYS A 574 10.965 8.274 12.801 1.00 14.13 H new ATOM 0 HG3 LYS A 574 9.935 7.648 14.074 1.00 14.13 H new ATOM 0 HD2 LYS A 574 11.509 5.737 14.399 1.00 53.14 H new ATOM 0 HD3 LYS A 574 12.542 6.378 13.137 1.00 53.14 H new ATOM 0 HE2 LYS A 574 13.436 7.040 15.290 1.00 60.35 H new ATOM 0 HE3 LYS A 574 12.848 8.467 14.458 1.00 60.35 H new ATOM 0 HZ1 LYS A 574 12.236 8.313 16.833 1.00 34.40 H new ATOM 0 HZ2 LYS A 574 10.910 8.499 15.789 1.00 34.40 H new ATOM 0 HZ3 LYS A 574 11.253 6.979 16.463 1.00 34.40 H new ATOM 1117 N VAL A 575 8.407 9.424 11.507 1.00 5.24 N ATOM 1118 CA VAL A 575 8.668 10.774 11.051 1.00 74.33 C ATOM 1119 C VAL A 575 9.768 11.356 11.929 1.00 13.24 C ATOM 1120 O VAL A 575 9.724 11.222 13.151 1.00 13.22 O ATOM 1121 CB VAL A 575 7.389 11.662 11.092 1.00 42.13 C ATOM 1122 CG1 VAL A 575 7.686 13.088 10.630 1.00 14.04 C ATOM 1123 CG2 VAL A 575 6.301 11.050 10.218 1.00 44.42 C ATOM 0 H VAL A 575 7.732 9.361 12.269 1.00 5.24 H new ATOM 0 HA VAL A 575 8.985 10.751 10.008 1.00 74.33 H new ATOM 0 HB VAL A 575 7.044 11.706 12.125 1.00 42.13 H new ATOM 0 HG11 VAL A 575 6.773 13.681 10.671 1.00 14.04 H new ATOM 0 HG12 VAL A 575 8.437 13.533 11.283 1.00 14.04 H new ATOM 0 HG13 VAL A 575 8.061 13.068 9.607 1.00 14.04 H new ATOM 0 HG21 VAL A 575 5.410 11.678 10.253 1.00 44.42 H new ATOM 0 HG22 VAL A 575 6.656 10.981 9.190 1.00 44.42 H new ATOM 0 HG23 VAL A 575 6.057 10.053 10.585 1.00 44.42 H new ATOM 1133 N ILE A 576 10.751 11.963 11.315 1.00 71.51 N ATOM 1134 CA ILE A 576 11.924 12.442 12.024 1.00 24.53 C ATOM 1135 C ILE A 576 11.703 13.900 12.457 1.00 75.23 C ATOM 1136 O ILE A 576 10.774 14.560 11.966 1.00 1.02 O ATOM 1137 CB ILE A 576 13.199 12.308 11.107 1.00 61.21 C ATOM 1138 CG1 ILE A 576 13.319 10.873 10.560 1.00 25.44 C ATOM 1139 CG2 ILE A 576 14.495 12.689 11.834 1.00 15.23 C ATOM 1140 CD1 ILE A 576 13.458 9.789 11.608 1.00 5.42 C ATOM 0 H ILE A 576 10.767 12.142 10.311 1.00 71.51 H new ATOM 0 HA ILE A 576 12.086 11.838 12.917 1.00 24.53 H new ATOM 0 HB ILE A 576 13.065 13.010 10.284 1.00 61.21 H new ATOM 0 HG12 ILE A 576 12.439 10.658 9.954 1.00 25.44 H new ATOM 0 HG13 ILE A 576 14.182 10.826 9.896 1.00 25.44 H new ATOM 0 HG21 ILE A 576 15.340 12.578 11.154 1.00 15.23 H new ATOM 0 HG22 ILE A 576 14.433 13.724 12.169 1.00 15.23 H new ATOM 0 HG23 ILE A 576 14.634 12.036 12.696 1.00 15.23 H new ATOM 0 HD11 ILE A 576 13.535 8.818 11.119 1.00 5.42 H new ATOM 0 HD12 ILE A 576 14.355 9.969 12.201 1.00 5.42 H new ATOM 0 HD13 ILE A 576 12.584 9.799 12.260 1.00 5.42 H new ATOM 1152 N ASP A 577 12.481 14.344 13.435 1.00 50.34 N ATOM 1153 CA ASP A 577 12.487 15.729 13.914 1.00 50.33 C ATOM 1154 C ASP A 577 12.677 16.674 12.742 1.00 41.11 C ATOM 1155 O ASP A 577 13.693 16.603 12.033 1.00 71.02 O ATOM 1156 CB ASP A 577 13.628 15.912 14.922 1.00 65.22 C ATOM 1157 CG ASP A 577 13.819 17.339 15.371 1.00 31.05 C ATOM 1158 OD1 ASP A 577 13.098 17.794 16.283 1.00 51.41 O ATOM 1159 OD2 ASP A 577 14.728 18.023 14.857 1.00 72.12 O ATOM 0 H ASP A 577 13.140 13.744 13.930 1.00 50.34 H new ATOM 0 HA ASP A 577 11.537 15.952 14.399 1.00 50.33 H new ATOM 0 HB2 ASP A 577 13.433 15.289 15.795 1.00 65.22 H new ATOM 0 HB3 ASP A 577 14.556 15.554 14.476 1.00 65.22 H new ATOM 1164 N ASP A 578 11.711 17.529 12.523 1.00 73.02 N ATOM 1165 CA ASP A 578 11.743 18.398 11.375 1.00 0.02 C ATOM 1166 C ASP A 578 12.431 19.722 11.682 1.00 1.14 C ATOM 1167 O ASP A 578 12.419 20.199 12.824 1.00 74.12 O ATOM 1168 CB ASP A 578 10.354 18.613 10.824 1.00 30.21 C ATOM 1169 CG ASP A 578 10.391 19.305 9.516 1.00 33.04 C ATOM 1170 OD1 ASP A 578 10.988 18.741 8.548 1.00 75.20 O ATOM 1171 OD2 ASP A 578 9.888 20.439 9.419 1.00 40.21 O ATOM 0 H ASP A 578 10.894 17.642 13.123 1.00 73.02 H new ATOM 0 HA ASP A 578 12.338 17.903 10.607 1.00 0.02 H new ATOM 0 HB2 ASP A 578 9.852 17.652 10.714 1.00 30.21 H new ATOM 0 HB3 ASP A 578 9.768 19.200 11.531 1.00 30.21 H new ATOM 1176 N GLU A 579 13.021 20.300 10.660 1.00 30.41 N ATOM 1177 CA GLU A 579 13.853 21.466 10.779 1.00 54.35 C ATOM 1178 C GLU A 579 13.462 22.626 9.826 1.00 53.13 C ATOM 1179 O GLU A 579 13.705 23.786 10.149 1.00 64.11 O ATOM 1180 CB GLU A 579 15.314 21.063 10.467 1.00 14.22 C ATOM 1181 CG GLU A 579 15.586 20.606 9.002 1.00 2.14 C ATOM 1182 CD GLU A 579 14.898 19.304 8.583 1.00 33.51 C ATOM 1183 OE1 GLU A 579 13.650 19.307 8.264 1.00 24.25 O ATOM 1184 OE2 GLU A 579 15.564 18.270 8.535 1.00 43.10 O ATOM 0 H GLU A 579 12.931 19.961 9.702 1.00 30.41 H new ATOM 0 HA GLU A 579 13.725 21.833 11.797 1.00 54.35 H new ATOM 0 HB2 GLU A 579 15.962 21.910 10.691 1.00 14.22 H new ATOM 0 HB3 GLU A 579 15.601 20.255 11.140 1.00 14.22 H new ATOM 0 HG2 GLU A 579 15.267 21.400 8.326 1.00 2.14 H new ATOM 0 HG3 GLU A 579 16.661 20.488 8.870 1.00 2.14 H new ATOM 1191 N GLU A 580 12.842 22.338 8.680 1.00 53.25 N ATOM 1192 CA GLU A 580 12.732 23.383 7.655 1.00 21.24 C ATOM 1193 C GLU A 580 11.304 23.858 7.432 1.00 62.42 C ATOM 1194 O GLU A 580 10.361 23.390 8.088 1.00 61.31 O ATOM 1195 CB GLU A 580 13.407 22.959 6.291 1.00 12.14 C ATOM 1196 CG GLU A 580 12.623 21.980 5.372 1.00 33.04 C ATOM 1197 CD GLU A 580 12.348 20.636 5.976 1.00 32.23 C ATOM 1198 OE1 GLU A 580 11.574 20.508 6.856 1.00 22.40 O ATOM 1199 OE2 GLU A 580 12.908 19.623 5.608 1.00 52.21 O ATOM 0 H GLU A 580 12.426 21.437 8.442 1.00 53.25 H new ATOM 0 HA GLU A 580 13.287 24.233 8.052 1.00 21.24 H new ATOM 0 HB2 GLU A 580 13.609 23.866 5.721 1.00 12.14 H new ATOM 0 HB3 GLU A 580 14.371 22.505 6.520 1.00 12.14 H new ATOM 0 HG2 GLU A 580 11.674 22.441 5.099 1.00 33.04 H new ATOM 0 HG3 GLU A 580 13.186 21.840 4.449 1.00 33.04 H new ATOM 1206 N TYR A 581 11.174 24.828 6.539 1.00 24.51 N ATOM 1207 CA TYR A 581 9.895 25.359 6.095 1.00 5.03 C ATOM 1208 C TYR A 581 9.103 24.243 5.422 1.00 74.05 C ATOM 1209 O TYR A 581 9.684 23.263 4.914 1.00 75.22 O ATOM 1210 CB TYR A 581 10.092 26.527 5.093 1.00 20.12 C ATOM 1211 CG TYR A 581 10.685 26.101 3.763 1.00 23.20 C ATOM 1212 CD1 TYR A 581 9.861 25.684 2.728 1.00 14.20 C ATOM 1213 CD2 TYR A 581 12.055 26.085 3.555 1.00 31.42 C ATOM 1214 CE1 TYR A 581 10.367 25.268 1.539 1.00 3.22 C ATOM 1215 CE2 TYR A 581 12.580 25.664 2.354 1.00 14.22 C ATOM 1216 CZ TYR A 581 11.729 25.255 1.348 1.00 41.20 C ATOM 1217 OH TYR A 581 12.247 24.824 0.146 1.00 11.53 O ATOM 0 H TYR A 581 11.974 25.278 6.093 1.00 24.51 H new ATOM 0 HA TYR A 581 9.355 25.740 6.962 1.00 5.03 H new ATOM 0 HB2 TYR A 581 9.129 27.006 4.914 1.00 20.12 H new ATOM 0 HB3 TYR A 581 10.741 27.276 5.546 1.00 20.12 H new ATOM 0 HD1 TYR A 581 8.791 25.690 2.872 1.00 14.20 H new ATOM 0 HD2 TYR A 581 12.718 26.407 4.344 1.00 31.42 H new ATOM 0 HE1 TYR A 581 9.704 24.949 0.748 1.00 3.22 H new ATOM 0 HE2 TYR A 581 13.649 25.654 2.201 1.00 14.22 H new ATOM 0 HH TYR A 581 13.225 24.878 0.173 1.00 11.53 H new ATOM 1227 N GLU A 582 7.823 24.347 5.421 1.00 22.24 N ATOM 1228 CA GLU A 582 7.049 23.333 4.793 1.00 53.12 C ATOM 1229 C GLU A 582 6.729 23.714 3.368 1.00 13.32 C ATOM 1230 O GLU A 582 6.658 24.894 3.007 1.00 63.21 O ATOM 1231 CB GLU A 582 5.771 23.062 5.551 1.00 33.05 C ATOM 1232 CG GLU A 582 5.146 21.703 5.259 1.00 44.52 C ATOM 1233 CD GLU A 582 6.011 20.596 5.787 1.00 13.42 C ATOM 1234 OE1 GLU A 582 6.890 20.095 5.090 1.00 5.34 O ATOM 1235 OE2 GLU A 582 5.886 20.272 6.968 1.00 41.52 O ATOM 0 H GLU A 582 7.293 25.111 5.841 1.00 22.24 H new ATOM 0 HA GLU A 582 7.645 22.421 4.794 1.00 53.12 H new ATOM 0 HB2 GLU A 582 5.974 23.134 6.620 1.00 33.05 H new ATOM 0 HB3 GLU A 582 5.047 23.841 5.311 1.00 33.05 H new ATOM 0 HG2 GLU A 582 4.157 21.647 5.714 1.00 44.52 H new ATOM 0 HG3 GLU A 582 5.010 21.583 4.184 1.00 44.52 H new ATOM 1242 N LYS A 583 6.547 22.710 2.598 1.00 33.33 N ATOM 1243 CA LYS A 583 6.163 22.753 1.228 1.00 12.41 C ATOM 1244 C LYS A 583 5.143 21.643 1.116 1.00 74.12 C ATOM 1245 O LYS A 583 4.739 21.107 2.163 1.00 62.21 O ATOM 1246 CB LYS A 583 7.400 22.473 0.349 1.00 14.31 C ATOM 1247 CG LYS A 583 8.106 21.150 0.667 1.00 12.50 C ATOM 1248 CD LYS A 583 9.336 20.922 -0.202 1.00 23.21 C ATOM 1249 CE LYS A 583 10.443 21.937 0.071 1.00 74.24 C ATOM 1250 NZ LYS A 583 11.621 21.723 -0.799 1.00 21.01 N ATOM 0 H LYS A 583 6.672 21.754 2.932 1.00 33.33 H new ATOM 0 HA LYS A 583 5.761 23.713 0.905 1.00 12.41 H new ATOM 0 HB2 LYS A 583 7.095 22.468 -0.698 1.00 14.31 H new ATOM 0 HB3 LYS A 583 8.111 23.290 0.470 1.00 14.31 H new ATOM 0 HG2 LYS A 583 8.400 21.142 1.717 1.00 12.50 H new ATOM 0 HG3 LYS A 583 7.407 20.326 0.525 1.00 12.50 H new ATOM 0 HD2 LYS A 583 9.719 19.916 -0.027 1.00 23.21 H new ATOM 0 HD3 LYS A 583 9.050 20.976 -1.252 1.00 23.21 H new ATOM 0 HE2 LYS A 583 10.057 22.944 -0.084 1.00 74.24 H new ATOM 0 HE3 LYS A 583 10.747 21.869 1.116 1.00 74.24 H new ATOM 0 HZ1 LYS A 583 12.348 22.434 -0.580 1.00 21.01 H new ATOM 0 HZ2 LYS A 583 12.006 20.771 -0.634 1.00 21.01 H new ATOM 0 HZ3 LYS A 583 11.338 21.813 -1.796 1.00 21.01 H new ATOM 1264 N ASN A 584 4.681 21.290 -0.048 1.00 33.11 N ATOM 1265 CA ASN A 584 3.873 20.090 -0.107 1.00 41.35 C ATOM 1266 C ASN A 584 4.833 18.936 -0.094 1.00 75.34 C ATOM 1267 O ASN A 584 5.369 18.535 -1.133 1.00 42.13 O ATOM 1268 CB ASN A 584 2.933 20.015 -1.312 1.00 2.23 C ATOM 1269 CG ASN A 584 2.077 18.745 -1.290 1.00 0.14 C ATOM 1270 OD1 ASN A 584 1.759 18.214 -0.234 1.00 22.01 O ATOM 1271 ND2 ASN A 584 1.688 18.262 -2.437 1.00 1.51 N ATOM 0 H ASN A 584 4.833 21.779 -0.930 1.00 33.11 H new ATOM 0 HA ASN A 584 3.197 20.077 0.748 1.00 41.35 H new ATOM 0 HB2 ASN A 584 2.284 20.890 -1.321 1.00 2.23 H new ATOM 0 HB3 ASN A 584 3.518 20.043 -2.231 1.00 2.23 H new ATOM 0 HD21 ASN A 584 1.106 17.425 -2.467 1.00 1.51 H new ATOM 0 HD22 ASN A 584 1.965 18.722 -3.304 1.00 1.51 H new ATOM 1278 N LYS A 585 5.113 18.462 1.089 1.00 10.33 N ATOM 1279 CA LYS A 585 6.100 17.498 1.300 1.00 54.11 C ATOM 1280 C LYS A 585 5.404 16.234 1.586 1.00 73.43 C ATOM 1281 O LYS A 585 4.724 16.090 2.597 1.00 0.32 O ATOM 1282 CB LYS A 585 7.082 17.998 2.404 1.00 14.14 C ATOM 1283 CG LYS A 585 8.190 17.060 2.878 1.00 43.15 C ATOM 1284 CD LYS A 585 7.721 16.068 3.933 1.00 55.21 C ATOM 1285 CE LYS A 585 7.252 16.754 5.239 1.00 32.35 C ATOM 1286 NZ LYS A 585 8.255 17.687 5.818 1.00 41.14 N ATOM 0 H LYS A 585 4.635 18.758 1.940 1.00 10.33 H new ATOM 0 HA LYS A 585 6.736 17.322 0.433 1.00 54.11 H new ATOM 0 HB2 LYS A 585 7.554 18.910 2.038 1.00 14.14 H new ATOM 0 HB3 LYS A 585 6.488 18.274 3.275 1.00 14.14 H new ATOM 0 HG2 LYS A 585 8.585 16.512 2.022 1.00 43.15 H new ATOM 0 HG3 LYS A 585 9.010 17.652 3.284 1.00 43.15 H new ATOM 0 HD2 LYS A 585 6.903 15.473 3.527 1.00 55.21 H new ATOM 0 HD3 LYS A 585 8.533 15.378 4.162 1.00 55.21 H new ATOM 0 HE2 LYS A 585 6.331 17.302 5.040 1.00 32.35 H new ATOM 0 HE3 LYS A 585 7.014 15.987 5.976 1.00 32.35 H new ATOM 0 HZ1 LYS A 585 8.093 17.779 6.841 1.00 41.14 H new ATOM 0 HZ2 LYS A 585 9.212 17.316 5.651 1.00 41.14 H new ATOM 0 HZ3 LYS A 585 8.162 18.620 5.368 1.00 41.14 H new ATOM 1300 N THR A 586 5.494 15.371 0.647 1.00 31.43 N ATOM 1301 CA THR A 586 4.815 14.156 0.667 1.00 42.03 C ATOM 1302 C THR A 586 5.692 13.088 0.083 1.00 3.53 C ATOM 1303 O THR A 586 6.546 13.361 -0.784 1.00 42.21 O ATOM 1304 CB THR A 586 3.443 14.297 -0.082 1.00 2.04 C ATOM 1305 OG1 THR A 586 2.765 13.056 -0.188 1.00 44.25 O ATOM 1306 CG2 THR A 586 3.578 14.913 -1.461 1.00 54.03 C ATOM 0 H THR A 586 6.068 15.507 -0.185 1.00 31.43 H new ATOM 0 HA THR A 586 4.584 13.864 1.692 1.00 42.03 H new ATOM 0 HB THR A 586 2.853 14.976 0.534 1.00 2.04 H new ATOM 0 HG1 THR A 586 3.008 12.485 0.570 1.00 44.25 H new ATOM 0 HG21 THR A 586 2.595 14.983 -1.926 1.00 54.03 H new ATOM 0 HG22 THR A 586 4.010 15.910 -1.373 1.00 54.03 H new ATOM 0 HG23 THR A 586 4.227 14.289 -2.076 1.00 54.03 H new ATOM 1314 N PHE A 587 5.548 11.926 0.623 1.00 52.23 N ATOM 1315 CA PHE A 587 6.248 10.775 0.200 1.00 60.55 C ATOM 1316 C PHE A 587 5.264 9.668 -0.034 1.00 31.44 C ATOM 1317 O PHE A 587 4.155 9.681 0.533 1.00 33.03 O ATOM 1318 CB PHE A 587 7.393 10.386 1.165 1.00 42.35 C ATOM 1319 CG PHE A 587 7.118 10.529 2.641 1.00 73.10 C ATOM 1320 CD1 PHE A 587 6.307 9.646 3.322 1.00 43.32 C ATOM 1321 CD2 PHE A 587 7.724 11.544 3.350 1.00 2.13 C ATOM 1322 CE1 PHE A 587 6.112 9.782 4.689 1.00 2.32 C ATOM 1323 CE2 PHE A 587 7.530 11.684 4.703 1.00 43.14 C ATOM 1324 CZ PHE A 587 6.725 10.799 5.374 1.00 13.53 C ATOM 0 H PHE A 587 4.913 11.752 1.402 1.00 52.23 H new ATOM 0 HA PHE A 587 6.754 10.989 -0.742 1.00 60.55 H new ATOM 0 HB2 PHE A 587 7.664 9.349 0.969 1.00 42.35 H new ATOM 0 HB3 PHE A 587 8.264 10.995 0.921 1.00 42.35 H new ATOM 0 HD1 PHE A 587 5.820 8.843 2.788 1.00 43.32 H new ATOM 0 HD2 PHE A 587 8.364 12.243 2.832 1.00 2.13 H new ATOM 0 HE1 PHE A 587 5.476 9.085 5.215 1.00 2.32 H new ATOM 0 HE2 PHE A 587 8.011 12.490 5.238 1.00 43.14 H new ATOM 0 HZ PHE A 587 6.575 10.903 6.438 1.00 13.53 H new ATOM 1334 N PHE A 588 5.628 8.742 -0.856 1.00 32.03 N ATOM 1335 CA PHE A 588 4.706 7.733 -1.284 1.00 0.13 C ATOM 1336 C PHE A 588 5.073 6.407 -0.685 1.00 63.52 C ATOM 1337 O PHE A 588 6.241 6.070 -0.590 1.00 52.41 O ATOM 1338 CB PHE A 588 4.704 7.645 -2.818 1.00 24.01 C ATOM 1339 CG PHE A 588 4.648 8.995 -3.484 1.00 71.22 C ATOM 1340 CD1 PHE A 588 3.480 9.734 -3.503 1.00 10.12 C ATOM 1341 CD2 PHE A 588 5.784 9.535 -4.060 1.00 1.12 C ATOM 1342 CE1 PHE A 588 3.446 10.982 -4.092 1.00 31.23 C ATOM 1343 CE2 PHE A 588 5.758 10.782 -4.642 1.00 34.22 C ATOM 1344 CZ PHE A 588 4.586 11.505 -4.659 1.00 25.44 C ATOM 0 H PHE A 588 6.565 8.659 -1.250 1.00 32.03 H new ATOM 0 HA PHE A 588 3.705 8.000 -0.945 1.00 0.13 H new ATOM 0 HB2 PHE A 588 5.601 7.120 -3.148 1.00 24.01 H new ATOM 0 HB3 PHE A 588 3.850 7.051 -3.141 1.00 24.01 H new ATOM 0 HD1 PHE A 588 2.585 9.331 -3.052 1.00 10.12 H new ATOM 0 HD2 PHE A 588 6.704 8.970 -4.053 1.00 1.12 H new ATOM 0 HE1 PHE A 588 2.526 11.547 -4.108 1.00 31.23 H new ATOM 0 HE2 PHE A 588 6.654 11.192 -5.084 1.00 34.22 H new ATOM 0 HZ PHE A 588 4.561 12.483 -5.117 1.00 25.44 H new ATOM 1354 N LEU A 589 4.100 5.684 -0.247 1.00 65.52 N ATOM 1355 CA LEU A 589 4.318 4.365 0.275 1.00 44.24 C ATOM 1356 C LEU A 589 3.699 3.420 -0.726 1.00 11.11 C ATOM 1357 O LEU A 589 2.536 3.586 -1.104 1.00 41.23 O ATOM 1358 CB LEU A 589 3.639 4.216 1.660 1.00 12.51 C ATOM 1359 CG LEU A 589 4.113 3.089 2.615 1.00 34.34 C ATOM 1360 CD1 LEU A 589 3.962 1.697 2.040 1.00 10.11 C ATOM 1361 CD2 LEU A 589 5.520 3.340 3.063 1.00 73.00 C ATOM 0 H LEU A 589 3.126 5.985 -0.238 1.00 65.52 H new ATOM 0 HA LEU A 589 5.378 4.156 0.416 1.00 44.24 H new ATOM 0 HB2 LEU A 589 3.755 5.163 2.187 1.00 12.51 H new ATOM 0 HB3 LEU A 589 2.572 4.075 1.489 1.00 12.51 H new ATOM 0 HG LEU A 589 3.450 3.121 3.480 1.00 34.34 H new ATOM 0 HD11 LEU A 589 4.314 0.964 2.765 1.00 10.11 H new ATOM 0 HD12 LEU A 589 2.913 1.509 1.814 1.00 10.11 H new ATOM 0 HD13 LEU A 589 4.551 1.615 1.126 1.00 10.11 H new ATOM 0 HD21 LEU A 589 5.837 2.540 3.732 1.00 73.00 H new ATOM 0 HD22 LEU A 589 6.179 3.369 2.195 1.00 73.00 H new ATOM 0 HD23 LEU A 589 5.570 4.294 3.588 1.00 73.00 H new ATOM 1373 N GLU A 590 4.451 2.488 -1.190 1.00 10.04 N ATOM 1374 CA GLU A 590 3.939 1.539 -2.129 1.00 74.30 C ATOM 1375 C GLU A 590 4.219 0.143 -1.662 1.00 65.13 C ATOM 1376 O GLU A 590 5.333 -0.168 -1.244 1.00 41.42 O ATOM 1377 CB GLU A 590 4.539 1.754 -3.523 1.00 25.14 C ATOM 1378 CG GLU A 590 4.084 0.719 -4.547 1.00 33.52 C ATOM 1379 CD GLU A 590 4.733 0.888 -5.884 1.00 41.51 C ATOM 1380 OE1 GLU A 590 5.928 0.575 -6.024 1.00 74.44 O ATOM 1381 OE2 GLU A 590 4.059 1.315 -6.836 1.00 31.31 O ATOM 0 H GLU A 590 5.430 2.356 -0.937 1.00 10.04 H new ATOM 0 HA GLU A 590 2.861 1.686 -2.197 1.00 74.30 H new ATOM 0 HB2 GLU A 590 4.267 2.748 -3.878 1.00 25.14 H new ATOM 0 HB3 GLU A 590 5.626 1.728 -3.450 1.00 25.14 H new ATOM 0 HG2 GLU A 590 4.303 -0.279 -4.167 1.00 33.52 H new ATOM 0 HG3 GLU A 590 3.002 0.785 -4.664 1.00 33.52 H new ATOM 1388 N ILE A 591 3.203 -0.667 -1.689 1.00 24.53 N ATOM 1389 CA ILE A 591 3.339 -2.068 -1.457 1.00 31.54 C ATOM 1390 C ILE A 591 3.498 -2.722 -2.814 1.00 34.11 C ATOM 1391 O ILE A 591 2.788 -2.361 -3.767 1.00 4.35 O ATOM 1392 CB ILE A 591 2.126 -2.676 -0.679 1.00 63.31 C ATOM 1393 CG1 ILE A 591 0.783 -2.276 -1.319 1.00 53.24 C ATOM 1394 CG2 ILE A 591 2.176 -2.295 0.797 1.00 21.54 C ATOM 1395 CD1 ILE A 591 -0.438 -2.842 -0.623 1.00 10.03 C ATOM 0 H ILE A 591 2.246 -0.367 -1.875 1.00 24.53 H new ATOM 0 HA ILE A 591 4.206 -2.251 -0.822 1.00 31.54 H new ATOM 0 HB ILE A 591 2.203 -3.761 -0.745 1.00 63.31 H new ATOM 0 HG12 ILE A 591 0.709 -1.189 -1.328 1.00 53.24 H new ATOM 0 HG13 ILE A 591 0.778 -2.605 -2.358 1.00 53.24 H new ATOM 0 HG21 ILE A 591 1.321 -2.731 1.314 1.00 21.54 H new ATOM 0 HG22 ILE A 591 3.098 -2.672 1.239 1.00 21.54 H new ATOM 0 HG23 ILE A 591 2.144 -1.210 0.894 1.00 21.54 H new ATOM 0 HD11 ILE A 591 -1.338 -2.510 -1.140 1.00 10.03 H new ATOM 0 HD12 ILE A 591 -0.393 -3.931 -0.637 1.00 10.03 H new ATOM 0 HD13 ILE A 591 -0.463 -2.493 0.409 1.00 10.03 H new ATOM 1407 N GLY A 592 4.443 -3.607 -2.926 1.00 1.13 N ATOM 1408 CA GLY A 592 4.720 -4.237 -4.187 1.00 41.13 C ATOM 1409 C GLY A 592 3.863 -5.444 -4.399 1.00 72.05 C ATOM 1410 O GLY A 592 2.718 -5.490 -3.943 1.00 53.41 O ATOM 0 H GLY A 592 5.039 -3.912 -2.157 1.00 1.13 H new ATOM 0 HA2 GLY A 592 4.553 -3.525 -4.995 1.00 41.13 H new ATOM 0 HA3 GLY A 592 5.771 -4.524 -4.228 1.00 41.13 H new ATOM 1414 N GLU A 593 4.396 -6.427 -5.072 1.00 14.22 N ATOM 1415 CA GLU A 593 3.657 -7.629 -5.272 1.00 53.33 C ATOM 1416 C GLU A 593 3.933 -8.547 -4.101 1.00 60.24 C ATOM 1417 O GLU A 593 5.107 -8.829 -3.791 1.00 75.10 O ATOM 1418 CB GLU A 593 4.024 -8.327 -6.576 1.00 64.52 C ATOM 1419 CG GLU A 593 3.088 -9.483 -6.897 1.00 72.12 C ATOM 1420 CD GLU A 593 3.523 -10.276 -8.078 1.00 71.32 C ATOM 1421 OE1 GLU A 593 4.377 -11.159 -7.897 1.00 32.42 O ATOM 1422 OE2 GLU A 593 3.026 -10.036 -9.213 1.00 43.24 O ATOM 0 H GLU A 593 5.329 -6.415 -5.484 1.00 14.22 H new ATOM 0 HA GLU A 593 2.598 -7.380 -5.338 1.00 53.33 H new ATOM 0 HB2 GLU A 593 3.998 -7.605 -7.392 1.00 64.52 H new ATOM 0 HB3 GLU A 593 5.047 -8.698 -6.511 1.00 64.52 H new ATOM 0 HG2 GLU A 593 3.022 -10.140 -6.030 1.00 72.12 H new ATOM 0 HG3 GLU A 593 2.087 -9.092 -7.078 1.00 72.12 H new ATOM 1429 N PRO A 594 2.890 -8.983 -3.410 1.00 52.51 N ATOM 1430 CA PRO A 594 3.011 -9.879 -2.269 1.00 62.24 C ATOM 1431 C PRO A 594 3.481 -11.279 -2.701 1.00 4.00 C ATOM 1432 O PRO A 594 3.405 -11.634 -3.875 1.00 75.43 O ATOM 1433 CB PRO A 594 1.574 -9.926 -1.723 1.00 14.44 C ATOM 1434 CG PRO A 594 0.727 -9.649 -2.909 1.00 45.32 C ATOM 1435 CD PRO A 594 1.479 -8.641 -3.696 1.00 51.21 C ATOM 0 HA PRO A 594 3.746 -9.544 -1.537 1.00 62.24 H new ATOM 0 HB2 PRO A 594 1.345 -10.899 -1.288 1.00 14.44 H new ATOM 0 HB3 PRO A 594 1.420 -9.183 -0.941 1.00 14.44 H new ATOM 0 HG2 PRO A 594 0.555 -10.555 -3.491 1.00 45.32 H new ATOM 0 HG3 PRO A 594 -0.251 -9.269 -2.614 1.00 45.32 H new ATOM 0 HD2 PRO A 594 1.254 -8.710 -4.760 1.00 51.21 H new ATOM 0 HD3 PRO A 594 1.239 -7.624 -3.385 1.00 51.21 H new ATOM 1443 N ARG A 595 3.970 -12.062 -1.775 1.00 75.21 N ATOM 1444 CA ARG A 595 4.401 -13.402 -2.107 1.00 14.34 C ATOM 1445 C ARG A 595 3.789 -14.374 -1.138 1.00 64.51 C ATOM 1446 O ARG A 595 3.628 -14.058 0.046 1.00 4.34 O ATOM 1447 CB ARG A 595 5.938 -13.570 -2.117 1.00 1.42 C ATOM 1448 CG ARG A 595 6.607 -13.471 -0.753 1.00 73.03 C ATOM 1449 CD ARG A 595 8.040 -13.980 -0.806 1.00 33.12 C ATOM 1450 NE ARG A 595 8.643 -14.065 0.528 1.00 64.34 N ATOM 1451 CZ ARG A 595 8.893 -15.210 1.194 1.00 61.02 C ATOM 1452 NH1 ARG A 595 8.563 -16.382 0.668 1.00 42.14 N ATOM 1453 NH2 ARG A 595 9.478 -15.168 2.380 1.00 51.25 N ATOM 0 H ARG A 595 4.081 -11.803 -0.795 1.00 75.21 H new ATOM 0 HA ARG A 595 4.063 -13.602 -3.124 1.00 14.34 H new ATOM 0 HB2 ARG A 595 6.179 -14.539 -2.553 1.00 1.42 H new ATOM 0 HB3 ARG A 595 6.367 -12.811 -2.771 1.00 1.42 H new ATOM 0 HG2 ARG A 595 6.598 -12.435 -0.415 1.00 73.03 H new ATOM 0 HG3 ARG A 595 6.039 -14.049 -0.024 1.00 73.03 H new ATOM 0 HD2 ARG A 595 8.058 -14.964 -1.275 1.00 33.12 H new ATOM 0 HD3 ARG A 595 8.637 -13.317 -1.432 1.00 33.12 H new ATOM 0 HE ARG A 595 8.893 -13.189 0.988 1.00 64.34 H new ATOM 0 HH11 ARG A 595 8.116 -16.422 -0.248 1.00 42.14 H new ATOM 0 HH12 ARG A 595 8.756 -17.243 1.179 1.00 42.14 H new ATOM 0 HH21 ARG A 595 9.739 -14.271 2.789 1.00 51.25 H new ATOM 0 HH22 ARG A 595 9.668 -16.033 2.886 1.00 51.25 H new ATOM 1467 N LEU A 596 3.435 -15.522 -1.617 1.00 14.02 N ATOM 1468 CA LEU A 596 2.857 -16.525 -0.770 1.00 62.35 C ATOM 1469 C LEU A 596 4.020 -17.274 -0.147 1.00 4.42 C ATOM 1470 O LEU A 596 4.940 -17.668 -0.859 1.00 71.55 O ATOM 1471 CB LEU A 596 1.998 -17.495 -1.601 1.00 61.22 C ATOM 1472 CG LEU A 596 0.600 -17.872 -1.044 1.00 52.43 C ATOM 1473 CD1 LEU A 596 0.627 -18.205 0.447 1.00 52.04 C ATOM 1474 CD2 LEU A 596 -0.428 -16.805 -1.366 1.00 14.12 C ATOM 0 H LEU A 596 3.535 -15.794 -2.595 1.00 14.02 H new ATOM 0 HA LEU A 596 2.213 -16.078 -0.012 1.00 62.35 H new ATOM 0 HB2 LEU A 596 1.859 -17.058 -2.590 1.00 61.22 H new ATOM 0 HB3 LEU A 596 2.566 -18.416 -1.736 1.00 61.22 H new ATOM 0 HG LEU A 596 0.297 -18.788 -1.552 1.00 52.43 H new ATOM 0 HD11 LEU A 596 -0.379 -18.461 0.781 1.00 52.04 H new ATOM 0 HD12 LEU A 596 1.293 -19.051 0.619 1.00 52.04 H new ATOM 0 HD13 LEU A 596 0.986 -17.341 1.006 1.00 52.04 H new ATOM 0 HD21 LEU A 596 -1.397 -17.099 -0.962 1.00 14.12 H new ATOM 0 HD22 LEU A 596 -0.122 -15.858 -0.921 1.00 14.12 H new ATOM 0 HD23 LEU A 596 -0.506 -16.689 -2.447 1.00 14.12 H new ATOM 1486 N VAL A 597 4.025 -17.413 1.158 1.00 24.42 N ATOM 1487 CA VAL A 597 5.121 -18.117 1.831 1.00 41.32 C ATOM 1488 C VAL A 597 5.074 -19.602 1.482 1.00 75.43 C ATOM 1489 O VAL A 597 6.109 -20.239 1.235 1.00 60.22 O ATOM 1490 CB VAL A 597 5.100 -17.911 3.376 1.00 11.12 C ATOM 1491 CG1 VAL A 597 6.212 -18.696 4.053 1.00 72.14 C ATOM 1492 CG2 VAL A 597 5.244 -16.440 3.709 1.00 40.01 C ATOM 0 H VAL A 597 3.298 -17.057 1.779 1.00 24.42 H new ATOM 0 HA VAL A 597 6.058 -17.690 1.472 1.00 41.32 H new ATOM 0 HB VAL A 597 4.143 -18.278 3.747 1.00 11.12 H new ATOM 0 HG11 VAL A 597 6.170 -18.531 5.130 1.00 72.14 H new ATOM 0 HG12 VAL A 597 6.087 -19.758 3.843 1.00 72.14 H new ATOM 0 HG13 VAL A 597 7.177 -18.362 3.672 1.00 72.14 H new ATOM 0 HG21 VAL A 597 5.228 -16.309 4.791 1.00 40.01 H new ATOM 0 HG22 VAL A 597 6.189 -16.068 3.312 1.00 40.01 H new ATOM 0 HG23 VAL A 597 4.419 -15.884 3.264 1.00 40.01 H new ATOM 2055 N ARG A 633 0.571 -16.359 -7.902 1.00 41.11 N ATOM 2056 CA ARG A 633 1.135 -15.396 -7.015 1.00 11.33 C ATOM 2057 C ARG A 633 -0.022 -14.692 -6.344 1.00 12.02 C ATOM 2058 O ARG A 633 -1.102 -14.596 -6.933 1.00 1.13 O ATOM 2059 CB ARG A 633 1.825 -14.295 -7.819 1.00 25.14 C ATOM 2060 CG ARG A 633 2.904 -14.689 -8.802 1.00 11.40 C ATOM 2061 CD ARG A 633 3.271 -13.449 -9.593 1.00 64.22 C ATOM 2062 NE ARG A 633 4.382 -13.617 -10.521 1.00 5.41 N ATOM 2063 CZ ARG A 633 4.956 -12.593 -11.182 1.00 25.12 C ATOM 2064 NH1 ARG A 633 4.571 -11.337 -10.960 1.00 52.34 N ATOM 2065 NH2 ARG A 633 5.951 -12.828 -12.005 1.00 45.03 N ATOM 0 HA ARG A 633 1.824 -15.892 -6.331 1.00 11.33 H new ATOM 0 HB2 ARG A 633 1.055 -13.755 -8.370 1.00 25.14 H new ATOM 0 HB3 ARG A 633 2.263 -13.592 -7.111 1.00 25.14 H new ATOM 0 HG2 ARG A 633 3.775 -15.082 -8.278 1.00 11.40 H new ATOM 0 HG3 ARG A 633 2.549 -15.477 -9.466 1.00 11.40 H new ATOM 0 HD2 ARG A 633 2.395 -13.122 -10.154 1.00 64.22 H new ATOM 0 HD3 ARG A 633 3.519 -12.650 -8.894 1.00 64.22 H new ATOM 0 HE ARG A 633 4.743 -14.558 -10.678 1.00 5.41 H new ATOM 0 HH11 ARG A 633 3.834 -11.142 -10.283 1.00 52.34 H new ATOM 0 HH12 ARG A 633 5.014 -10.571 -11.467 1.00 52.34 H new ATOM 0 HH21 ARG A 633 6.286 -13.782 -12.141 1.00 45.03 H new ATOM 0 HH22 ARG A 633 6.390 -12.057 -12.508 1.00 45.03 H new ATOM 2079 N PRO A 634 0.141 -14.219 -5.128 1.00 40.15 N ATOM 2080 CA PRO A 634 -0.807 -13.304 -4.575 1.00 61.50 C ATOM 2081 C PRO A 634 -0.552 -11.937 -5.219 1.00 23.12 C ATOM 2082 O PRO A 634 0.597 -11.606 -5.536 1.00 61.32 O ATOM 2083 CB PRO A 634 -0.497 -13.280 -3.095 1.00 24.14 C ATOM 2084 CG PRO A 634 0.918 -13.721 -2.984 1.00 11.04 C ATOM 2085 CD PRO A 634 1.224 -14.548 -4.205 1.00 72.52 C ATOM 0 HA PRO A 634 -1.849 -13.573 -4.748 1.00 61.50 H new ATOM 0 HB2 PRO A 634 -0.631 -12.281 -2.681 1.00 24.14 H new ATOM 0 HB3 PRO A 634 -1.161 -13.945 -2.543 1.00 24.14 H new ATOM 0 HG2 PRO A 634 1.585 -12.861 -2.925 1.00 11.04 H new ATOM 0 HG3 PRO A 634 1.069 -14.305 -2.076 1.00 11.04 H new ATOM 0 HD2 PRO A 634 2.198 -14.296 -4.625 1.00 72.52 H new ATOM 0 HD3 PRO A 634 1.242 -15.613 -3.973 1.00 72.52 H new ATOM 2093 N ILE A 635 -1.567 -11.152 -5.423 1.00 25.31 N ATOM 2094 CA ILE A 635 -1.380 -9.928 -6.166 1.00 12.15 C ATOM 2095 C ILE A 635 -1.873 -8.673 -5.452 1.00 13.25 C ATOM 2096 O ILE A 635 -2.219 -8.703 -4.272 1.00 1.21 O ATOM 2097 CB ILE A 635 -1.934 -10.021 -7.627 1.00 43.34 C ATOM 2098 CG1 ILE A 635 -3.305 -10.744 -7.729 1.00 21.42 C ATOM 2099 CG2 ILE A 635 -0.919 -10.677 -8.556 1.00 61.43 C ATOM 2100 CD1 ILE A 635 -4.464 -10.064 -7.040 1.00 24.52 C ATOM 0 H ILE A 635 -2.517 -11.325 -5.096 1.00 25.31 H new ATOM 0 HA ILE A 635 -0.298 -9.815 -6.232 1.00 12.15 H new ATOM 0 HB ILE A 635 -2.103 -8.992 -7.945 1.00 43.34 H new ATOM 0 HG12 ILE A 635 -3.554 -10.862 -8.784 1.00 21.42 H new ATOM 0 HG13 ILE A 635 -3.197 -11.746 -7.313 1.00 21.42 H new ATOM 0 HG21 ILE A 635 -1.329 -10.729 -9.564 1.00 61.43 H new ATOM 0 HG22 ILE A 635 -0.002 -10.088 -8.567 1.00 61.43 H new ATOM 0 HG23 ILE A 635 -0.699 -11.684 -8.201 1.00 61.43 H new ATOM 0 HD11 ILE A 635 -5.368 -10.657 -7.177 1.00 24.52 H new ATOM 0 HD12 ILE A 635 -4.250 -9.970 -5.975 1.00 24.52 H new ATOM 0 HD13 ILE A 635 -4.612 -9.073 -7.469 1.00 24.52 H new ATOM 2112 N LEU A 636 -1.839 -7.567 -6.166 1.00 25.51 N ATOM 2113 CA LEU A 636 -2.276 -6.294 -5.646 1.00 34.43 C ATOM 2114 C LEU A 636 -3.799 -6.262 -5.580 1.00 12.43 C ATOM 2115 O LEU A 636 -4.474 -6.931 -6.361 1.00 1.11 O ATOM 2116 CB LEU A 636 -1.690 -5.104 -6.496 1.00 44.15 C ATOM 2117 CG LEU A 636 -2.275 -4.765 -7.917 1.00 33.43 C ATOM 2118 CD1 LEU A 636 -2.532 -5.982 -8.783 1.00 52.34 C ATOM 2119 CD2 LEU A 636 -3.497 -3.858 -7.845 1.00 3.22 C ATOM 0 H LEU A 636 -1.505 -7.529 -7.129 1.00 25.51 H new ATOM 0 HA LEU A 636 -1.893 -6.169 -4.633 1.00 34.43 H new ATOM 0 HB2 LEU A 636 -1.779 -4.203 -5.889 1.00 44.15 H new ATOM 0 HB3 LEU A 636 -0.625 -5.297 -6.626 1.00 44.15 H new ATOM 0 HG LEU A 636 -1.483 -4.207 -8.417 1.00 33.43 H new ATOM 0 HD11 LEU A 636 -2.934 -5.665 -9.745 1.00 52.34 H new ATOM 0 HD12 LEU A 636 -1.598 -6.521 -8.940 1.00 52.34 H new ATOM 0 HD13 LEU A 636 -3.249 -6.636 -8.287 1.00 52.34 H new ATOM 0 HD21 LEU A 636 -3.860 -3.656 -8.853 1.00 3.22 H new ATOM 0 HD22 LEU A 636 -4.281 -4.349 -7.269 1.00 3.22 H new ATOM 0 HD23 LEU A 636 -3.225 -2.919 -7.362 1.00 3.22 H new ATOM 2131 N GLY A 637 -4.320 -5.519 -4.653 1.00 13.43 N ATOM 2132 CA GLY A 637 -5.748 -5.426 -4.500 1.00 45.33 C ATOM 2133 C GLY A 637 -6.384 -4.541 -5.538 1.00 73.04 C ATOM 2134 O GLY A 637 -7.069 -5.028 -6.431 1.00 31.40 O ATOM 0 H GLY A 637 -3.781 -4.965 -3.987 1.00 13.43 H new ATOM 0 HA2 GLY A 637 -6.182 -6.424 -4.563 1.00 45.33 H new ATOM 0 HA3 GLY A 637 -5.979 -5.040 -3.507 1.00 45.33 H new ATOM 2138 N GLU A 638 -6.167 -3.255 -5.433 1.00 54.43 N ATOM 2139 CA GLU A 638 -6.717 -2.339 -6.405 1.00 32.42 C ATOM 2140 C GLU A 638 -5.831 -1.124 -6.552 1.00 32.41 C ATOM 2141 O GLU A 638 -5.306 -0.865 -7.622 1.00 51.42 O ATOM 2142 CB GLU A 638 -8.150 -1.950 -6.036 1.00 2.41 C ATOM 2143 CG GLU A 638 -8.839 -1.048 -7.045 1.00 4.02 C ATOM 2144 CD GLU A 638 -10.317 -0.950 -6.800 1.00 74.45 C ATOM 2145 OE1 GLU A 638 -10.744 -0.283 -5.833 1.00 32.14 O ATOM 2146 OE2 GLU A 638 -11.096 -1.545 -7.570 1.00 5.34 O ATOM 0 H GLU A 638 -5.618 -2.819 -4.692 1.00 54.43 H new ATOM 0 HA GLU A 638 -6.753 -2.841 -7.372 1.00 32.42 H new ATOM 0 HB2 GLU A 638 -8.740 -2.859 -5.918 1.00 2.41 H new ATOM 0 HB3 GLU A 638 -8.139 -1.449 -5.068 1.00 2.41 H new ATOM 0 HG2 GLU A 638 -8.398 -0.052 -7.001 1.00 4.02 H new ATOM 0 HG3 GLU A 638 -8.663 -1.430 -8.051 1.00 4.02 H new ATOM 2153 N HIS A 639 -5.632 -0.407 -5.482 1.00 30.22 N ATOM 2154 CA HIS A 639 -4.807 0.778 -5.536 1.00 20.33 C ATOM 2155 C HIS A 639 -3.621 0.685 -4.597 1.00 30.42 C ATOM 2156 O HIS A 639 -3.740 0.866 -3.376 1.00 42.35 O ATOM 2157 CB HIS A 639 -5.628 2.089 -5.343 1.00 51.33 C ATOM 2158 CG HIS A 639 -6.551 2.140 -4.141 1.00 43.02 C ATOM 2159 ND1 HIS A 639 -6.178 2.592 -2.893 1.00 4.12 N ATOM 2160 CD2 HIS A 639 -7.866 1.826 -4.041 1.00 3.42 C ATOM 2161 CE1 HIS A 639 -7.245 2.547 -2.096 1.00 1.52 C ATOM 2162 NE2 HIS A 639 -8.304 2.087 -2.743 1.00 70.21 N ATOM 0 H HIS A 639 -6.025 -0.616 -4.564 1.00 30.22 H new ATOM 0 HA HIS A 639 -4.400 0.830 -6.546 1.00 20.33 H new ATOM 0 HB2 HIS A 639 -4.928 2.922 -5.271 1.00 51.33 H new ATOM 0 HB3 HIS A 639 -6.226 2.252 -6.239 1.00 51.33 H new ATOM 0 HD2 HIS A 639 -8.478 1.435 -4.841 1.00 3.42 H new ATOM 0 HE1 HIS A 639 -7.246 2.847 -1.058 1.00 1.52 H new ATOM 0 HE2 HIS A 639 -9.244 1.952 -2.370 1.00 70.21 H new ATOM 2170 N THR A 640 -2.484 0.350 -5.148 1.00 45.11 N ATOM 2171 CA THR A 640 -1.298 0.276 -4.368 1.00 14.40 C ATOM 2172 C THR A 640 -0.500 1.558 -4.545 1.00 4.43 C ATOM 2173 O THR A 640 0.310 1.683 -5.476 1.00 73.21 O ATOM 2174 CB THR A 640 -0.453 -0.960 -4.764 1.00 35.42 C ATOM 2175 OG1 THR A 640 -0.225 -0.967 -6.194 1.00 22.45 O ATOM 2176 CG2 THR A 640 -1.167 -2.241 -4.365 1.00 44.12 C ATOM 0 H THR A 640 -2.364 0.126 -6.136 1.00 45.11 H new ATOM 0 HA THR A 640 -1.567 0.165 -3.318 1.00 14.40 H new ATOM 0 HB THR A 640 0.502 -0.905 -4.242 1.00 35.42 H new ATOM 0 HG1 THR A 640 0.040 -0.070 -6.487 1.00 22.45 H new ATOM 0 HG21 THR A 640 -0.560 -3.100 -4.650 1.00 44.12 H new ATOM 0 HG22 THR A 640 -1.323 -2.250 -3.286 1.00 44.12 H new ATOM 0 HG23 THR A 640 -2.131 -2.293 -4.872 1.00 44.12 H new ATOM 2184 N LYS A 641 -0.762 2.507 -3.674 1.00 30.52 N ATOM 2185 CA LYS A 641 -0.127 3.801 -3.692 1.00 71.21 C ATOM 2186 C LYS A 641 -0.655 4.540 -2.505 1.00 15.30 C ATOM 2187 O LYS A 641 -1.854 4.506 -2.239 1.00 2.24 O ATOM 2188 CB LYS A 641 -0.504 4.560 -4.988 1.00 22.44 C ATOM 2189 CG LYS A 641 0.344 5.798 -5.352 1.00 22.22 C ATOM 2190 CD LYS A 641 0.074 7.019 -4.498 1.00 32.41 C ATOM 2191 CE LYS A 641 0.784 8.244 -5.067 1.00 4.23 C ATOM 2192 NZ LYS A 641 0.315 8.584 -6.440 1.00 31.34 N ATOM 0 H LYS A 641 -1.438 2.396 -2.918 1.00 30.52 H new ATOM 0 HA LYS A 641 0.959 3.710 -3.660 1.00 71.21 H new ATOM 0 HB2 LYS A 641 -0.450 3.857 -5.819 1.00 22.44 H new ATOM 0 HB3 LYS A 641 -1.544 4.875 -4.905 1.00 22.44 H new ATOM 0 HG2 LYS A 641 1.399 5.537 -5.267 1.00 22.22 H new ATOM 0 HG3 LYS A 641 0.162 6.053 -6.396 1.00 22.22 H new ATOM 0 HD2 LYS A 641 -0.999 7.205 -4.449 1.00 32.41 H new ATOM 0 HD3 LYS A 641 0.413 6.837 -3.478 1.00 32.41 H new ATOM 0 HE2 LYS A 641 0.618 9.096 -4.408 1.00 4.23 H new ATOM 0 HE3 LYS A 641 1.858 8.061 -5.088 1.00 4.23 H new ATOM 0 HZ1 LYS A 641 0.521 9.584 -6.639 1.00 31.34 H new ATOM 0 HZ2 LYS A 641 0.806 7.984 -7.133 1.00 31.34 H new ATOM 0 HZ3 LYS A 641 -0.710 8.422 -6.507 1.00 31.34 H new ATOM 2206 N LEU A 642 0.210 5.138 -1.782 1.00 25.44 N ATOM 2207 CA LEU A 642 -0.159 5.919 -0.659 1.00 41.43 C ATOM 2208 C LEU A 642 0.593 7.213 -0.712 1.00 54.13 C ATOM 2209 O LEU A 642 1.813 7.216 -0.712 1.00 4.52 O ATOM 2210 CB LEU A 642 0.208 5.200 0.607 1.00 3.30 C ATOM 2211 CG LEU A 642 -0.113 5.926 1.896 1.00 60.23 C ATOM 2212 CD1 LEU A 642 -1.601 5.922 2.180 1.00 55.41 C ATOM 2213 CD2 LEU A 642 0.671 5.344 3.028 1.00 10.05 C ATOM 0 H LEU A 642 1.215 5.101 -1.954 1.00 25.44 H new ATOM 0 HA LEU A 642 -1.234 6.096 -0.675 1.00 41.43 H new ATOM 0 HB2 LEU A 642 -0.304 4.238 0.617 1.00 3.30 H new ATOM 0 HB3 LEU A 642 1.278 4.991 0.587 1.00 3.30 H new ATOM 0 HG LEU A 642 0.181 6.970 1.784 1.00 60.23 H new ATOM 0 HD11 LEU A 642 -1.795 6.452 3.113 1.00 55.41 H new ATOM 0 HD12 LEU A 642 -2.128 6.418 1.365 1.00 55.41 H new ATOM 0 HD13 LEU A 642 -1.952 4.894 2.267 1.00 55.41 H new ATOM 0 HD21 LEU A 642 0.430 5.876 3.949 1.00 10.05 H new ATOM 0 HD22 LEU A 642 0.419 4.290 3.141 1.00 10.05 H new ATOM 0 HD23 LEU A 642 1.737 5.442 2.821 1.00 10.05 H new ATOM 2225 N GLU A 643 -0.113 8.275 -0.811 1.00 31.53 N ATOM 2226 CA GLU A 643 0.465 9.576 -0.809 1.00 52.10 C ATOM 2227 C GLU A 643 0.312 10.128 0.593 1.00 61.44 C ATOM 2228 O GLU A 643 -0.803 10.397 1.044 1.00 13.13 O ATOM 2229 CB GLU A 643 -0.269 10.439 -1.824 1.00 22.11 C ATOM 2230 CG GLU A 643 0.340 11.797 -2.087 1.00 51.51 C ATOM 2231 CD GLU A 643 -0.403 12.535 -3.167 1.00 14.34 C ATOM 2232 OE1 GLU A 643 -0.254 12.173 -4.353 1.00 1.30 O ATOM 2233 OE2 GLU A 643 -1.152 13.481 -2.871 1.00 23.12 O ATOM 0 H GLU A 643 -1.129 8.271 -0.898 1.00 31.53 H new ATOM 0 HA GLU A 643 1.520 9.557 -1.083 1.00 52.10 H new ATOM 0 HB2 GLU A 643 -0.321 9.895 -2.767 1.00 22.11 H new ATOM 0 HB3 GLU A 643 -1.294 10.580 -1.481 1.00 22.11 H new ATOM 0 HG2 GLU A 643 0.329 12.385 -1.170 1.00 51.51 H new ATOM 0 HG3 GLU A 643 1.384 11.679 -2.378 1.00 51.51 H new ATOM 2240 N VAL A 644 1.394 10.197 1.310 1.00 1.03 N ATOM 2241 CA VAL A 644 1.362 10.695 2.654 1.00 53.31 C ATOM 2242 C VAL A 644 1.714 12.144 2.642 1.00 11.04 C ATOM 2243 O VAL A 644 2.848 12.483 2.352 1.00 62.43 O ATOM 2244 CB VAL A 644 2.389 9.977 3.529 1.00 63.23 C ATOM 2245 CG1 VAL A 644 2.250 10.425 4.971 1.00 1.15 C ATOM 2246 CG2 VAL A 644 2.257 8.472 3.390 1.00 41.13 C ATOM 0 H VAL A 644 2.317 9.912 0.984 1.00 1.03 H new ATOM 0 HA VAL A 644 0.362 10.529 3.055 1.00 53.31 H new ATOM 0 HB VAL A 644 3.390 10.244 3.191 1.00 63.23 H new ATOM 0 HG11 VAL A 644 2.986 9.907 5.585 1.00 1.15 H new ATOM 0 HG12 VAL A 644 2.415 11.500 5.035 1.00 1.15 H new ATOM 0 HG13 VAL A 644 1.248 10.190 5.330 1.00 1.15 H new ATOM 0 HG21 VAL A 644 2.998 7.982 4.022 1.00 41.13 H new ATOM 0 HG22 VAL A 644 1.258 8.164 3.698 1.00 41.13 H new ATOM 0 HG23 VAL A 644 2.421 8.187 2.351 1.00 41.13 H new ATOM 2256 N ILE A 645 0.772 12.995 2.906 1.00 2.15 N ATOM 2257 CA ILE A 645 1.053 14.400 2.953 1.00 70.14 C ATOM 2258 C ILE A 645 1.327 14.787 4.398 1.00 60.30 C ATOM 2259 O ILE A 645 0.486 14.583 5.286 1.00 11.42 O ATOM 2260 CB ILE A 645 -0.074 15.307 2.337 1.00 71.30 C ATOM 2261 CG1 ILE A 645 -0.353 14.970 0.855 1.00 63.45 C ATOM 2262 CG2 ILE A 645 0.312 16.775 2.441 1.00 42.12 C ATOM 2263 CD1 ILE A 645 -1.182 13.728 0.613 1.00 41.52 C ATOM 0 H ILE A 645 -0.199 12.744 3.093 1.00 2.15 H new ATOM 0 HA ILE A 645 1.927 14.577 2.326 1.00 70.14 H new ATOM 0 HB ILE A 645 -0.981 15.112 2.910 1.00 71.30 H new ATOM 0 HG12 ILE A 645 -0.861 15.819 0.397 1.00 63.45 H new ATOM 0 HG13 ILE A 645 0.601 14.854 0.341 1.00 63.45 H new ATOM 0 HG21 ILE A 645 -0.478 17.390 2.010 1.00 42.12 H new ATOM 0 HG22 ILE A 645 0.449 17.042 3.489 1.00 42.12 H new ATOM 0 HG23 ILE A 645 1.242 16.946 1.898 1.00 42.12 H new ATOM 0 HD11 ILE A 645 -1.318 13.584 -0.459 1.00 41.52 H new ATOM 0 HD12 ILE A 645 -0.671 12.862 1.033 1.00 41.52 H new ATOM 0 HD13 ILE A 645 -2.155 13.842 1.090 1.00 41.52 H new ATOM 2275 N ILE A 646 2.503 15.291 4.630 1.00 23.13 N ATOM 2276 CA ILE A 646 2.948 15.639 5.952 1.00 31.51 C ATOM 2277 C ILE A 646 2.952 17.135 6.000 1.00 35.01 C ATOM 2278 O ILE A 646 3.431 17.785 5.059 1.00 2.23 O ATOM 2279 CB ILE A 646 4.401 15.132 6.260 1.00 33.41 C ATOM 2280 CG1 ILE A 646 4.650 13.694 5.795 1.00 14.31 C ATOM 2281 CG2 ILE A 646 4.718 15.232 7.736 1.00 10.13 C ATOM 2282 CD1 ILE A 646 4.882 13.565 4.313 1.00 5.14 C ATOM 0 H ILE A 646 3.190 15.475 3.899 1.00 23.13 H new ATOM 0 HA ILE A 646 2.289 15.177 6.687 1.00 31.51 H new ATOM 0 HB ILE A 646 5.061 15.788 5.693 1.00 33.41 H new ATOM 0 HG12 ILE A 646 5.515 13.296 6.325 1.00 14.31 H new ATOM 0 HG13 ILE A 646 3.795 13.079 6.074 1.00 14.31 H new ATOM 0 HG21 ILE A 646 5.731 14.873 7.916 1.00 10.13 H new ATOM 0 HG22 ILE A 646 4.639 16.271 8.056 1.00 10.13 H new ATOM 0 HG23 ILE A 646 4.012 14.624 8.302 1.00 10.13 H new ATOM 0 HD11 ILE A 646 5.051 12.518 4.061 1.00 5.14 H new ATOM 0 HD12 ILE A 646 4.008 13.932 3.775 1.00 5.14 H new ATOM 0 HD13 ILE A 646 5.756 14.152 4.029 1.00 5.14 H new ATOM 2294 N GLU A 647 2.441 17.684 7.034 1.00 60.22 N ATOM 2295 CA GLU A 647 2.263 19.102 7.090 1.00 25.03 C ATOM 2296 C GLU A 647 2.673 19.679 8.424 1.00 73.33 C ATOM 2297 O GLU A 647 2.857 18.928 9.381 1.00 64.44 O ATOM 2298 CB GLU A 647 0.799 19.414 6.720 1.00 4.12 C ATOM 2299 CG GLU A 647 -0.267 18.503 7.387 1.00 75.44 C ATOM 2300 CD GLU A 647 -0.613 18.864 8.817 1.00 40.33 C ATOM 2301 OE1 GLU A 647 -1.295 19.880 9.027 1.00 24.20 O ATOM 2302 OE2 GLU A 647 -0.291 18.107 9.736 1.00 13.41 O ATOM 0 H GLU A 647 2.133 17.178 7.865 1.00 60.22 H new ATOM 0 HA GLU A 647 2.922 19.587 6.370 1.00 25.03 H new ATOM 0 HB2 GLU A 647 0.587 20.449 6.989 1.00 4.12 H new ATOM 0 HB3 GLU A 647 0.692 19.337 5.638 1.00 4.12 H new ATOM 0 HG2 GLU A 647 -1.178 18.537 6.789 1.00 75.44 H new ATOM 0 HG3 GLU A 647 0.091 17.474 7.364 1.00 75.44 H new ATOM 2309 N GLU A 648 2.912 21.008 8.458 1.00 52.33 N ATOM 2310 CA GLU A 648 3.153 21.714 9.708 1.00 32.52 C ATOM 2311 C GLU A 648 1.910 21.541 10.533 1.00 61.32 C ATOM 2312 O GLU A 648 0.905 22.233 10.296 1.00 52.24 O ATOM 2313 CB GLU A 648 3.414 23.218 9.511 1.00 51.03 C ATOM 2314 CG GLU A 648 4.603 23.575 8.644 1.00 22.01 C ATOM 2315 CD GLU A 648 5.945 23.129 9.194 1.00 24.20 C ATOM 2316 OE1 GLU A 648 6.453 23.752 10.142 1.00 73.21 O ATOM 2317 OE2 GLU A 648 6.532 22.154 8.671 1.00 43.54 O ATOM 0 H GLU A 648 2.941 21.601 7.629 1.00 52.33 H new ATOM 0 HA GLU A 648 4.046 21.305 10.182 1.00 32.52 H new ATOM 0 HB2 GLU A 648 2.522 23.668 9.074 1.00 51.03 H new ATOM 0 HB3 GLU A 648 3.553 23.674 10.491 1.00 51.03 H new ATOM 0 HG2 GLU A 648 4.464 23.130 7.659 1.00 22.01 H new ATOM 0 HG3 GLU A 648 4.623 24.656 8.506 1.00 22.01 H new ATOM 2324 N SER A 649 2.017 20.613 11.447 1.00 13.21 N ATOM 2325 CA SER A 649 0.979 20.049 12.271 1.00 25.15 C ATOM 2326 C SER A 649 -0.257 20.944 12.504 1.00 24.42 C ATOM 2327 O SER A 649 -0.270 21.818 13.385 1.00 21.12 O ATOM 2328 CB SER A 649 1.625 19.599 13.565 1.00 25.20 C ATOM 2329 OG SER A 649 2.799 18.823 13.279 1.00 71.04 O ATOM 0 H SER A 649 2.923 20.192 11.654 1.00 13.21 H new ATOM 0 HA SER A 649 0.546 19.207 11.730 1.00 25.15 H new ATOM 0 HB2 SER A 649 1.890 20.466 14.171 1.00 25.20 H new ATOM 0 HB3 SER A 649 0.919 19.007 14.148 1.00 25.20 H new ATOM 0 HG SER A 649 2.598 17.871 13.394 1.00 71.04 H new